USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 729 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -98:sc= 0.0619 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.2!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0385 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.102) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.456 F(o=-1.3,f=-0.46) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 164:sc= 0 (180deg=-0.0653) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.603 X(o=-0.6,f=-0.83) USER MOD Single : A 62 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-4!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0459 K(o=-0.046,f=-1.1) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 86:sc= 0.0968 USER MOD Single : A 79 MET CE :methyl -178:sc= 0 (180deg=-0.00634) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.701 -2.370 11.796 1.00 0.00 N ATOM 2 CA MET A 1 16.657 -1.395 12.293 1.00 0.00 C ATOM 3 C MET A 1 17.745 -2.072 13.130 1.00 0.00 C ATOM 4 O MET A 1 18.929 -1.966 12.816 1.00 0.00 O ATOM 5 CB MET A 1 15.928 -0.356 13.148 1.00 0.00 C ATOM 6 CG MET A 1 16.513 1.041 12.928 1.00 0.00 C ATOM 7 SD MET A 1 15.252 2.278 13.184 1.00 0.00 S ATOM 8 CE MET A 1 16.277 3.716 13.445 1.00 0.00 C ATOM 0 H1 MET A 1 14.974 -1.886 11.232 1.00 0.00 H new ATOM 0 H2 MET A 1 16.193 -3.067 11.202 1.00 0.00 H new ATOM 0 H3 MET A 1 15.251 -2.855 12.598 1.00 0.00 H new ATOM 0 HA MET A 1 17.130 -0.909 11.440 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.867 -0.354 12.898 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.007 -0.626 14.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.343 1.209 13.614 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.913 1.122 11.917 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.645 4.586 13.621 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.919 3.553 14.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.894 3.888 12.563 1.00 0.00 H new ATOM 18 N SER A 2 17.304 -2.752 14.178 1.00 0.00 N ATOM 19 CA SER A 2 18.225 -3.446 15.061 1.00 0.00 C ATOM 20 C SER A 2 18.466 -4.869 14.553 1.00 0.00 C ATOM 21 O SER A 2 19.603 -5.250 14.280 1.00 0.00 O ATOM 22 CB SER A 2 17.694 -3.477 16.496 1.00 0.00 C ATOM 23 OG SER A 2 18.141 -2.358 17.255 1.00 0.00 O ATOM 0 H SER A 2 16.321 -2.837 14.435 1.00 0.00 H new ATOM 0 HA SER A 2 19.170 -2.904 15.064 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.604 -3.491 16.479 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.017 -4.397 16.982 1.00 0.00 H new ATOM 0 HG SER A 2 17.779 -2.414 18.164 1.00 0.00 H new ATOM 29 N THR A 3 17.378 -5.616 14.442 1.00 0.00 N ATOM 30 CA THR A 3 17.456 -6.988 13.972 1.00 0.00 C ATOM 31 C THR A 3 17.176 -7.054 12.470 1.00 0.00 C ATOM 32 O THR A 3 17.980 -7.587 11.707 1.00 0.00 O ATOM 33 CB THR A 3 16.491 -7.831 14.808 1.00 0.00 C ATOM 34 OG1 THR A 3 15.234 -7.179 14.649 1.00 0.00 O ATOM 35 CG2 THR A 3 16.775 -7.731 16.308 1.00 0.00 C ATOM 0 H THR A 3 16.437 -5.296 14.670 1.00 0.00 H new ATOM 0 HA THR A 3 18.459 -7.393 14.102 1.00 0.00 H new ATOM 0 HB THR A 3 16.555 -8.873 14.495 1.00 0.00 H new ATOM 0 HG1 THR A 3 14.549 -7.661 15.157 1.00 0.00 H new ATOM 0 HG21 THR A 3 16.062 -8.348 16.855 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.787 -8.080 16.511 1.00 0.00 H new ATOM 0 HG23 THR A 3 16.678 -6.694 16.628 1.00 0.00 H new ATOM 43 N ASP A 4 16.032 -6.504 12.089 1.00 0.00 N ATOM 44 CA ASP A 4 15.635 -6.494 10.691 1.00 0.00 C ATOM 45 C ASP A 4 15.265 -7.914 10.260 1.00 0.00 C ATOM 46 O ASP A 4 14.126 -8.172 9.873 1.00 0.00 O ATOM 47 CB ASP A 4 16.779 -6.012 9.797 1.00 0.00 C ATOM 48 CG ASP A 4 16.481 -4.745 8.992 1.00 0.00 C ATOM 49 OD1 ASP A 4 15.321 -4.329 8.864 1.00 0.00 O ATOM 50 OD2 ASP A 4 17.515 -4.171 8.477 1.00 0.00 O ATOM 0 H ASP A 4 15.367 -6.062 12.724 1.00 0.00 H new ATOM 0 HA ASP A 4 14.786 -5.818 10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.655 -5.831 10.420 1.00 0.00 H new ATOM 0 HB3 ASP A 4 17.040 -6.812 9.104 1.00 0.00 H new ATOM 55 N THR A 5 16.248 -8.799 10.342 1.00 0.00 N ATOM 56 CA THR A 5 16.040 -10.186 9.965 1.00 0.00 C ATOM 57 C THR A 5 17.202 -11.053 10.456 1.00 0.00 C ATOM 58 O THR A 5 16.986 -12.120 11.029 1.00 0.00 O ATOM 59 CB THR A 5 15.841 -10.240 8.449 1.00 0.00 C ATOM 60 OG1 THR A 5 16.071 -11.606 8.117 1.00 0.00 O ATOM 61 CG2 THR A 5 16.932 -9.483 7.688 1.00 0.00 C ATOM 0 H THR A 5 17.191 -8.582 10.664 1.00 0.00 H new ATOM 0 HA THR A 5 15.148 -10.594 10.439 1.00 0.00 H new ATOM 0 HB THR A 5 14.866 -9.823 8.196 1.00 0.00 H new ATOM 0 HG1 THR A 5 15.961 -11.731 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.744 -9.553 6.617 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.926 -8.436 7.990 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.904 -9.921 7.915 1.00 0.00 H new ATOM 69 N GLY A 6 18.408 -10.561 10.215 1.00 0.00 N ATOM 70 CA GLY A 6 19.604 -11.277 10.625 1.00 0.00 C ATOM 71 C GLY A 6 20.841 -10.383 10.519 1.00 0.00 C ATOM 72 O GLY A 6 21.211 -9.712 11.482 1.00 0.00 O ATOM 0 H GLY A 6 18.583 -9.675 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 6 19.490 -11.626 11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 6 19.735 -12.161 10.001 1.00 0.00 H new ATOM 76 N VAL A 7 21.447 -10.403 9.341 1.00 0.00 N ATOM 77 CA VAL A 7 22.635 -9.603 9.097 1.00 0.00 C ATOM 78 C VAL A 7 22.365 -8.637 7.942 1.00 0.00 C ATOM 79 O VAL A 7 22.745 -7.469 8.003 1.00 0.00 O ATOM 80 CB VAL A 7 23.837 -10.515 8.845 1.00 0.00 C ATOM 81 CG1 VAL A 7 23.552 -11.497 7.706 1.00 0.00 C ATOM 82 CG2 VAL A 7 25.097 -9.696 8.559 1.00 0.00 C ATOM 0 H VAL A 7 21.137 -10.961 8.545 1.00 0.00 H new ATOM 0 HA VAL A 7 22.878 -9.002 9.973 1.00 0.00 H new ATOM 0 HB VAL A 7 24.012 -11.095 9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 7 24.423 -12.133 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 7 22.693 -12.116 7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 7 23.337 -10.942 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 7 25.936 -10.369 8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 7 24.937 -9.078 7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 7 25.317 -9.057 9.414 1.00 0.00 H new ATOM 92 N SER A 8 21.711 -9.160 6.915 1.00 0.00 N ATOM 93 CA SER A 8 21.386 -8.358 5.748 1.00 0.00 C ATOM 94 C SER A 8 20.964 -6.952 6.180 1.00 0.00 C ATOM 95 O SER A 8 19.918 -6.778 6.802 1.00 0.00 O ATOM 96 CB SER A 8 20.278 -9.014 4.920 1.00 0.00 C ATOM 97 OG SER A 8 20.668 -10.292 4.425 1.00 0.00 O ATOM 0 H SER A 8 21.397 -10.129 6.867 1.00 0.00 H new ATOM 0 HA SER A 8 22.276 -8.287 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.382 -9.120 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 8 20.018 -8.365 4.084 1.00 0.00 H new ATOM 0 HG SER A 8 19.934 -10.679 3.903 1.00 0.00 H new ATOM 103 N LEU A 9 21.800 -5.985 5.832 1.00 0.00 N ATOM 104 CA LEU A 9 21.527 -4.600 6.176 1.00 0.00 C ATOM 105 C LEU A 9 21.313 -3.794 4.893 1.00 0.00 C ATOM 106 O LEU A 9 22.264 -3.256 4.328 1.00 0.00 O ATOM 107 CB LEU A 9 22.633 -4.043 7.075 1.00 0.00 C ATOM 108 CG LEU A 9 22.221 -3.693 8.506 1.00 0.00 C ATOM 109 CD1 LEU A 9 23.199 -4.289 9.520 1.00 0.00 C ATOM 110 CD2 LEU A 9 22.069 -2.180 8.677 1.00 0.00 C ATOM 0 H LEU A 9 22.667 -6.133 5.315 1.00 0.00 H new ATOM 0 HA LEU A 9 20.608 -4.525 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 9 23.441 -4.774 7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 9 23.039 -3.147 6.605 1.00 0.00 H new ATOM 0 HG LEU A 9 21.246 -4.139 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 9 22.883 -4.025 10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 9 23.214 -5.374 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 9 24.198 -3.893 9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 9 21.776 -1.957 9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 9 23.018 -1.692 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 9 21.305 -1.812 7.993 1.00 0.00 H new ATOM 122 N PRO A 10 20.025 -3.733 4.461 1.00 0.00 N ATOM 123 CA PRO A 10 19.673 -3.002 3.256 1.00 0.00 C ATOM 124 C PRO A 10 19.697 -1.492 3.505 1.00 0.00 C ATOM 125 O PRO A 10 18.682 -0.905 3.875 1.00 0.00 O ATOM 126 CB PRO A 10 18.298 -3.519 2.869 1.00 0.00 C ATOM 127 CG PRO A 10 17.732 -4.175 4.118 1.00 0.00 C ATOM 128 CD PRO A 10 18.873 -4.358 5.105 1.00 0.00 C ATOM 0 HA PRO A 10 20.384 -3.159 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.656 -2.706 2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.366 -4.234 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.947 -3.556 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.281 -5.137 3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.649 -3.885 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.057 -5.413 5.307 1.00 0.00 H new ATOM 136 N SER A 11 20.867 -0.907 3.291 1.00 0.00 N ATOM 137 CA SER A 11 21.035 0.522 3.488 1.00 0.00 C ATOM 138 C SER A 11 21.626 1.157 2.227 1.00 0.00 C ATOM 139 O SER A 11 21.006 2.028 1.618 1.00 0.00 O ATOM 140 CB SER A 11 21.929 0.810 4.696 1.00 0.00 C ATOM 141 OG SER A 11 22.022 2.206 4.970 1.00 0.00 O ATOM 0 H SER A 11 21.707 -1.397 2.983 1.00 0.00 H new ATOM 0 HA SER A 11 20.055 0.959 3.683 1.00 0.00 H new ATOM 0 HB2 SER A 11 21.534 0.294 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.926 0.409 4.513 1.00 0.00 H new ATOM 0 HG SER A 11 22.845 2.563 4.575 1.00 0.00 H new ATOM 147 N TYR A 12 22.817 0.698 1.874 1.00 0.00 N ATOM 148 CA TYR A 12 23.498 1.210 0.697 1.00 0.00 C ATOM 149 C TYR A 12 24.814 0.467 0.458 1.00 0.00 C ATOM 150 O TYR A 12 25.814 1.074 0.077 1.00 0.00 O ATOM 151 CB TYR A 12 23.803 2.680 0.993 1.00 0.00 C ATOM 152 CG TYR A 12 24.996 2.893 1.926 1.00 0.00 C ATOM 153 CD1 TYR A 12 25.015 2.294 3.170 1.00 0.00 C ATOM 154 CD2 TYR A 12 26.053 3.684 1.525 1.00 0.00 C ATOM 155 CE1 TYR A 12 26.138 2.494 4.049 1.00 0.00 C ATOM 156 CE2 TYR A 12 27.177 3.884 2.404 1.00 0.00 C ATOM 157 CZ TYR A 12 27.163 3.279 3.622 1.00 0.00 C ATOM 158 OH TYR A 12 28.224 3.468 4.452 1.00 0.00 O ATOM 0 H TYR A 12 23.328 -0.023 2.382 1.00 0.00 H new ATOM 0 HA TYR A 12 22.879 1.081 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 12 23.994 3.197 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 12 22.921 3.141 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 12 24.187 1.675 3.484 1.00 0.00 H new ATOM 0 HD2 TYR A 12 26.038 4.153 0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 12 26.166 2.031 5.025 1.00 0.00 H new ATOM 0 HE2 TYR A 12 28.011 4.500 2.103 1.00 0.00 H new ATOM 0 HH TYR A 12 28.881 4.050 4.016 1.00 0.00 H new ATOM 168 N GLU A 13 24.772 -0.836 0.692 1.00 0.00 N ATOM 169 CA GLU A 13 25.948 -1.669 0.507 1.00 0.00 C ATOM 170 C GLU A 13 25.576 -3.148 0.626 1.00 0.00 C ATOM 171 O GLU A 13 26.046 -3.839 1.529 1.00 0.00 O ATOM 172 CB GLU A 13 27.046 -1.297 1.507 1.00 0.00 C ATOM 173 CG GLU A 13 28.418 -1.274 0.831 1.00 0.00 C ATOM 174 CD GLU A 13 29.053 0.114 0.925 1.00 0.00 C ATOM 175 OE1 GLU A 13 28.341 1.109 1.132 1.00 0.00 O ATOM 176 OE2 GLU A 13 30.334 0.139 0.777 1.00 0.00 O ATOM 0 H GLU A 13 23.941 -1.336 1.008 1.00 0.00 H new ATOM 0 HA GLU A 13 26.340 -1.493 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 13 26.833 -0.319 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 13 27.053 -2.014 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 13 29.071 -2.009 1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 13 28.316 -1.561 -0.216 1.00 0.00 H new ATOM 183 N GLU A 14 24.736 -3.590 -0.298 1.00 0.00 N ATOM 184 CA GLU A 14 24.296 -4.975 -0.308 1.00 0.00 C ATOM 185 C GLU A 14 23.236 -5.187 -1.391 1.00 0.00 C ATOM 186 O GLU A 14 22.610 -4.232 -1.848 1.00 0.00 O ATOM 187 CB GLU A 14 23.767 -5.392 1.066 1.00 0.00 C ATOM 188 CG GLU A 14 24.842 -6.130 1.866 1.00 0.00 C ATOM 189 CD GLU A 14 24.328 -7.487 2.351 1.00 0.00 C ATOM 190 OE1 GLU A 14 24.070 -8.339 1.417 1.00 0.00 O ATOM 191 OE2 GLU A 14 24.188 -7.700 3.565 1.00 0.00 O ATOM 0 H GLU A 14 24.348 -3.014 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 14 25.154 -5.607 -0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 14 23.440 -4.510 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 14 22.894 -6.034 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 14 25.728 -6.272 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 14 25.144 -5.525 2.721 1.00 0.00 H new ATOM 198 N ASP A 15 23.067 -6.445 -1.770 1.00 0.00 N ATOM 199 CA ASP A 15 22.094 -6.795 -2.791 1.00 0.00 C ATOM 200 C ASP A 15 22.274 -8.264 -3.179 1.00 0.00 C ATOM 201 O ASP A 15 23.054 -8.582 -4.075 1.00 0.00 O ATOM 202 CB ASP A 15 22.287 -5.946 -4.049 1.00 0.00 C ATOM 203 CG ASP A 15 21.211 -4.884 -4.284 1.00 0.00 C ATOM 204 OD1 ASP A 15 20.023 -5.202 -4.444 1.00 0.00 O ATOM 205 OD2 ASP A 15 21.640 -3.668 -4.300 1.00 0.00 O ATOM 0 H ASP A 15 23.588 -7.235 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 15 21.099 -6.616 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 15 23.257 -5.452 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 15 22.318 -6.608 -4.914 1.00 0.00 H new ATOM 210 N GLN A 16 21.539 -9.120 -2.485 1.00 0.00 N ATOM 211 CA GLN A 16 21.607 -10.548 -2.746 1.00 0.00 C ATOM 212 C GLN A 16 20.212 -11.170 -2.665 1.00 0.00 C ATOM 213 O GLN A 16 19.756 -11.808 -3.613 1.00 0.00 O ATOM 214 CB GLN A 16 22.572 -11.237 -1.778 1.00 0.00 C ATOM 215 CG GLN A 16 23.368 -12.334 -2.486 1.00 0.00 C ATOM 216 CD GLN A 16 24.873 -12.118 -2.312 1.00 0.00 C ATOM 217 OE1 GLN A 16 25.324 -11.147 -1.727 1.00 0.00 O ATOM 218 NE2 GLN A 16 25.623 -13.076 -2.851 1.00 0.00 N ATOM 0 H GLN A 16 20.893 -8.852 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 16 21.990 -10.695 -3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 16 23.256 -10.501 -1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 16 22.014 -11.667 -0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 16 23.088 -13.308 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 16 23.118 -12.342 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN A 16 25.181 -13.862 -3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 16 26.640 -13.024 -2.788 1.00 0.00 H new ATOM 227 N GLY A 17 19.572 -10.963 -1.523 1.00 0.00 N ATOM 228 CA GLY A 17 18.237 -11.495 -1.306 1.00 0.00 C ATOM 229 C GLY A 17 17.400 -11.414 -2.584 1.00 0.00 C ATOM 230 O GLY A 17 16.926 -12.433 -3.085 1.00 0.00 O ATOM 0 H GLY A 17 19.953 -10.434 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.304 -12.532 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 17 17.745 -10.938 -0.509 1.00 0.00 H new ATOM 234 N SER A 18 17.243 -10.194 -3.075 1.00 0.00 N ATOM 235 CA SER A 18 16.472 -9.967 -4.285 1.00 0.00 C ATOM 236 C SER A 18 16.842 -11.006 -5.345 1.00 0.00 C ATOM 237 O SER A 18 15.966 -11.637 -5.933 1.00 0.00 O ATOM 238 CB SER A 18 16.698 -8.553 -4.826 1.00 0.00 C ATOM 239 OG SER A 18 15.665 -8.153 -5.722 1.00 0.00 O ATOM 0 H SER A 18 17.637 -9.351 -2.656 1.00 0.00 H new ATOM 0 HA SER A 18 15.415 -10.068 -4.040 1.00 0.00 H new ATOM 0 HB2 SER A 18 16.749 -7.850 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 18 17.659 -8.510 -5.338 1.00 0.00 H new ATOM 0 HG SER A 18 15.845 -7.245 -6.044 1.00 0.00 H new ATOM 245 N LYS A 19 18.142 -11.152 -5.555 1.00 0.00 N ATOM 246 CA LYS A 19 18.639 -12.104 -6.534 1.00 0.00 C ATOM 247 C LYS A 19 18.071 -13.491 -6.224 1.00 0.00 C ATOM 248 O LYS A 19 17.629 -14.200 -7.127 1.00 0.00 O ATOM 249 CB LYS A 19 20.168 -12.065 -6.591 1.00 0.00 C ATOM 250 CG LYS A 19 20.650 -11.197 -7.756 1.00 0.00 C ATOM 251 CD LYS A 19 22.135 -10.860 -7.610 1.00 0.00 C ATOM 252 CE LYS A 19 22.703 -10.304 -8.917 1.00 0.00 C ATOM 253 NZ LYS A 19 24.128 -9.943 -8.752 1.00 0.00 N ATOM 0 H LYS A 19 18.866 -10.627 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 19 18.298 -11.835 -7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 19 20.561 -11.672 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 19 20.558 -13.077 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 19 20.483 -11.720 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 19 20.067 -10.277 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 19 22.269 -10.130 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.688 -11.754 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.599 -11.045 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.133 -9.427 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.497 -9.567 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.219 -9.220 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 24.671 -10.788 -8.481 1.00 0.00 H new ATOM 267 N LEU A 20 18.102 -13.836 -4.945 1.00 0.00 N ATOM 268 CA LEU A 20 17.596 -15.125 -4.506 1.00 0.00 C ATOM 269 C LEU A 20 16.108 -15.228 -4.849 1.00 0.00 C ATOM 270 O LEU A 20 15.599 -16.319 -5.099 1.00 0.00 O ATOM 271 CB LEU A 20 17.901 -15.343 -3.022 1.00 0.00 C ATOM 272 CG LEU A 20 19.074 -16.274 -2.709 1.00 0.00 C ATOM 273 CD1 LEU A 20 20.409 -15.541 -2.850 1.00 0.00 C ATOM 274 CD2 LEU A 20 18.913 -16.912 -1.327 1.00 0.00 C ATOM 0 H LEU A 20 18.470 -13.245 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 20 18.102 -15.933 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.101 -14.373 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.007 -15.743 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 20 19.073 -17.083 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 20 21.226 -16.226 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.517 -15.175 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.437 -14.700 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.760 -17.569 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.874 -16.131 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.990 -17.491 -1.299 1.00 0.00 H new ATOM 286 N ILE A 21 15.453 -14.076 -4.849 1.00 0.00 N ATOM 287 CA ILE A 21 14.034 -14.023 -5.157 1.00 0.00 C ATOM 288 C ILE A 21 13.846 -14.020 -6.675 1.00 0.00 C ATOM 289 O ILE A 21 12.769 -14.348 -7.172 1.00 0.00 O ATOM 290 CB ILE A 21 13.377 -12.834 -4.453 1.00 0.00 C ATOM 291 CG1 ILE A 21 13.469 -12.977 -2.933 1.00 0.00 C ATOM 292 CG2 ILE A 21 11.933 -12.646 -4.925 1.00 0.00 C ATOM 293 CD1 ILE A 21 12.701 -14.209 -2.450 1.00 0.00 C ATOM 0 H ILE A 21 15.879 -13.173 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 21 13.528 -14.909 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 21 13.925 -11.932 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 21 14.514 -13.056 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 21 13.067 -12.083 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.489 -11.794 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 21 11.922 -12.465 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.358 -13.545 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 21 12.783 -14.287 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 21 11.651 -14.116 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 21 13.121 -15.103 -2.911 1.00 0.00 H new ATOM 305 N ARG A 22 14.909 -13.645 -7.370 1.00 0.00 N ATOM 306 CA ARG A 22 14.875 -13.594 -8.822 1.00 0.00 C ATOM 307 C ARG A 22 13.522 -13.067 -9.303 1.00 0.00 C ATOM 308 O ARG A 22 12.674 -13.838 -9.749 1.00 0.00 O ATOM 309 CB ARG A 22 15.120 -14.978 -9.427 1.00 0.00 C ATOM 310 CG ARG A 22 16.514 -15.065 -10.052 1.00 0.00 C ATOM 311 CD ARG A 22 16.575 -14.281 -11.365 1.00 0.00 C ATOM 312 NE ARG A 22 17.566 -14.898 -12.276 1.00 0.00 N ATOM 313 CZ ARG A 22 18.901 -14.736 -12.163 1.00 0.00 C ATOM 314 NH1 ARG A 22 19.418 -13.974 -11.176 1.00 0.00 N ATOM 315 NH2 ARG A 22 19.694 -15.334 -13.033 1.00 0.00 N ATOM 0 H ARG A 22 15.800 -13.373 -6.955 1.00 0.00 H new ATOM 0 HA ARG A 22 15.668 -12.921 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.016 -15.740 -8.655 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.364 -15.187 -10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.254 -14.672 -9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.770 -16.109 -10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.593 -14.269 -11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.846 -13.244 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 22 17.218 -15.482 -13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.798 -13.515 -10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.428 -13.857 -11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.295 -15.908 -13.776 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.705 -15.222 -12.962 1.00 0.00 H new ATOM 329 N LYS A 23 13.362 -11.756 -9.196 1.00 0.00 N ATOM 330 CA LYS A 23 12.126 -11.116 -9.614 1.00 0.00 C ATOM 331 C LYS A 23 10.947 -11.771 -8.891 1.00 0.00 C ATOM 332 O LYS A 23 11.140 -12.653 -8.055 1.00 0.00 O ATOM 333 CB LYS A 23 12.000 -11.139 -11.139 1.00 0.00 C ATOM 334 CG LYS A 23 12.669 -9.911 -11.762 1.00 0.00 C ATOM 335 CD LYS A 23 13.748 -10.324 -12.765 1.00 0.00 C ATOM 336 CE LYS A 23 15.084 -10.571 -12.061 1.00 0.00 C ATOM 337 NZ LYS A 23 15.890 -9.330 -12.028 1.00 0.00 N ATOM 0 H LYS A 23 14.068 -11.119 -8.826 1.00 0.00 H new ATOM 0 HA LYS A 23 12.129 -10.063 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.459 -12.046 -11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.947 -11.166 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.919 -9.298 -12.261 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.112 -9.297 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.436 -11.228 -13.289 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.868 -9.545 -13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.907 -10.924 -11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.635 -11.356 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.793 -9.515 -11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.075 -9.010 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.369 -8.591 -11.514 1.00 0.00 H new ATOM 351 N ALA A 24 9.753 -11.314 -9.238 1.00 0.00 N ATOM 352 CA ALA A 24 8.544 -11.844 -8.632 1.00 0.00 C ATOM 353 C ALA A 24 8.624 -13.372 -8.595 1.00 0.00 C ATOM 354 O ALA A 24 9.327 -13.979 -9.401 1.00 0.00 O ATOM 355 CB ALA A 24 7.323 -11.343 -9.406 1.00 0.00 C ATOM 0 H ALA A 24 9.597 -10.582 -9.931 1.00 0.00 H new ATOM 0 HA ALA A 24 8.445 -11.494 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.416 -11.741 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.296 -10.254 -9.377 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.386 -11.677 -10.442 1.00 0.00 H new ATOM 361 N LYS A 25 7.895 -13.948 -7.652 1.00 0.00 N ATOM 362 CA LYS A 25 7.875 -15.393 -7.500 1.00 0.00 C ATOM 363 C LYS A 25 6.760 -15.784 -6.527 1.00 0.00 C ATOM 364 O LYS A 25 5.699 -16.244 -6.945 1.00 0.00 O ATOM 365 CB LYS A 25 9.256 -15.908 -7.091 1.00 0.00 C ATOM 366 CG LYS A 25 9.647 -17.140 -7.909 1.00 0.00 C ATOM 367 CD LYS A 25 10.819 -17.879 -7.262 1.00 0.00 C ATOM 368 CE LYS A 25 11.116 -19.187 -7.998 1.00 0.00 C ATOM 369 NZ LYS A 25 12.535 -19.235 -8.418 1.00 0.00 N ATOM 0 H LYS A 25 7.313 -13.441 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 25 7.651 -15.873 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.998 -15.122 -7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.255 -16.157 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.792 -17.811 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.917 -16.838 -8.921 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.704 -17.243 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.589 -18.089 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.894 -20.035 -7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.469 -19.275 -8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.720 -20.129 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.736 -18.437 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.147 -19.173 -7.580 1.00 0.00 H new ATOM 383 N GLU A 26 7.039 -15.586 -5.247 1.00 0.00 N ATOM 384 CA GLU A 26 6.073 -15.911 -4.211 1.00 0.00 C ATOM 385 C GLU A 26 5.468 -14.633 -3.628 1.00 0.00 C ATOM 386 O GLU A 26 5.178 -14.567 -2.435 1.00 0.00 O ATOM 387 CB GLU A 26 6.713 -16.765 -3.114 1.00 0.00 C ATOM 388 CG GLU A 26 6.845 -18.222 -3.560 1.00 0.00 C ATOM 389 CD GLU A 26 8.069 -18.882 -2.921 1.00 0.00 C ATOM 390 OE1 GLU A 26 7.863 -19.401 -1.758 1.00 0.00 O ATOM 391 OE2 GLU A 26 9.154 -18.889 -3.521 1.00 0.00 O ATOM 0 H GLU A 26 7.920 -15.204 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 26 5.271 -16.496 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.697 -16.367 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.109 -16.712 -2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.945 -18.773 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.928 -18.268 -4.646 1.00 0.00 H new ATOM 398 N ALA A 27 5.296 -13.648 -4.498 1.00 0.00 N ATOM 399 CA ALA A 27 4.731 -12.375 -4.084 1.00 0.00 C ATOM 400 C ALA A 27 5.608 -11.764 -2.990 1.00 0.00 C ATOM 401 O ALA A 27 5.156 -11.573 -1.862 1.00 0.00 O ATOM 402 CB ALA A 27 3.286 -12.582 -3.626 1.00 0.00 C ATOM 0 H ALA A 27 5.538 -13.706 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 27 4.711 -11.675 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.862 -11.627 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.698 -12.989 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.266 -13.278 -2.787 1.00 0.00 H new ATOM 408 N PRO A 28 6.879 -11.465 -3.371 1.00 0.00 N ATOM 409 CA PRO A 28 7.823 -10.880 -2.435 1.00 0.00 C ATOM 410 C PRO A 28 7.512 -9.401 -2.194 1.00 0.00 C ATOM 411 O PRO A 28 6.547 -8.870 -2.742 1.00 0.00 O ATOM 412 CB PRO A 28 9.189 -11.105 -3.062 1.00 0.00 C ATOM 413 CG PRO A 28 8.931 -11.388 -4.533 1.00 0.00 C ATOM 414 CD PRO A 28 7.448 -11.677 -4.699 1.00 0.00 C ATOM 0 HA PRO A 28 7.773 -11.337 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.825 -10.228 -2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.703 -11.941 -2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.224 -10.534 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.525 -12.238 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.995 -11.013 -5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.279 -12.697 -5.044 1.00 0.00 H new ATOM 422 N PHE A 29 8.347 -8.779 -1.375 1.00 0.00 N ATOM 423 CA PHE A 29 8.172 -7.373 -1.055 1.00 0.00 C ATOM 424 C PHE A 29 8.937 -6.487 -2.042 1.00 0.00 C ATOM 425 O PHE A 29 8.753 -5.271 -2.061 1.00 0.00 O ATOM 426 CB PHE A 29 8.741 -7.160 0.349 1.00 0.00 C ATOM 427 CG PHE A 29 10.233 -7.472 0.471 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.641 -8.733 0.775 1.00 0.00 C ATOM 429 CD2 PHE A 29 11.152 -6.489 0.274 1.00 0.00 C ATOM 430 CE1 PHE A 29 12.027 -9.023 0.888 1.00 0.00 C ATOM 431 CE2 PHE A 29 12.538 -6.779 0.387 1.00 0.00 C ATOM 432 CZ PHE A 29 12.946 -8.040 0.691 1.00 0.00 C ATOM 0 H PHE A 29 9.147 -9.223 -0.923 1.00 0.00 H new ATOM 0 HA PHE A 29 7.116 -7.107 -1.111 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.572 -6.125 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.191 -7.786 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.911 -9.514 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.828 -5.488 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.351 -10.024 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 29 13.268 -5.998 0.231 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.000 -8.261 0.776 1.00 0.00 H new ATOM 442 N VAL A 30 9.778 -7.132 -2.836 1.00 0.00 N ATOM 443 CA VAL A 30 10.571 -6.418 -3.823 1.00 0.00 C ATOM 444 C VAL A 30 9.663 -5.480 -4.620 1.00 0.00 C ATOM 445 O VAL A 30 9.944 -4.288 -4.736 1.00 0.00 O ATOM 446 CB VAL A 30 11.326 -7.414 -4.707 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.243 -7.010 -6.181 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.782 -7.552 -4.257 1.00 0.00 C ATOM 0 H VAL A 30 9.928 -8.141 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 30 11.325 -5.801 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 30 10.849 -8.388 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.787 -7.734 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.199 -6.986 -6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.684 -6.022 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.296 -8.265 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.276 -6.583 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.812 -7.906 -3.227 1.00 0.00 H new ATOM 458 N PRO A 31 8.563 -6.069 -5.162 1.00 0.00 N ATOM 459 CA PRO A 31 7.611 -5.299 -5.945 1.00 0.00 C ATOM 460 C PRO A 31 6.740 -4.424 -5.042 1.00 0.00 C ATOM 461 O PRO A 31 6.108 -3.478 -5.510 1.00 0.00 O ATOM 462 CB PRO A 31 6.812 -6.333 -6.721 1.00 0.00 C ATOM 463 CG PRO A 31 7.028 -7.653 -6.000 1.00 0.00 C ATOM 464 CD PRO A 31 8.198 -7.478 -5.046 1.00 0.00 C ATOM 0 HA PRO A 31 8.095 -4.598 -6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.754 -6.071 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.151 -6.393 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.130 -7.941 -5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.235 -8.449 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.917 -7.731 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.031 -8.127 -5.318 1.00 0.00 H new ATOM 472 N VAL A 32 6.734 -4.770 -3.763 1.00 0.00 N ATOM 473 CA VAL A 32 5.951 -4.028 -2.790 1.00 0.00 C ATOM 474 C VAL A 32 6.623 -2.680 -2.522 1.00 0.00 C ATOM 475 O VAL A 32 5.953 -1.650 -2.459 1.00 0.00 O ATOM 476 CB VAL A 32 5.761 -4.865 -1.523 1.00 0.00 C ATOM 477 CG1 VAL A 32 5.081 -4.047 -0.423 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.975 -6.142 -1.822 1.00 0.00 C ATOM 0 H VAL A 32 7.259 -5.555 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 32 4.954 -3.822 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 32 6.748 -5.156 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.958 -4.665 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.697 -3.181 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.104 -3.712 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.854 -6.718 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.994 -5.881 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.516 -6.739 -2.557 1.00 0.00 H new ATOM 488 N GLY A 33 7.938 -2.731 -2.371 1.00 0.00 N ATOM 489 CA GLY A 33 8.708 -1.527 -2.110 1.00 0.00 C ATOM 490 C GLY A 33 8.865 -0.690 -3.382 1.00 0.00 C ATOM 491 O GLY A 33 8.697 0.528 -3.352 1.00 0.00 O ATOM 0 H GLY A 33 8.490 -3.587 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.214 -0.935 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.691 -1.796 -1.724 1.00 0.00 H new ATOM 495 N ILE A 34 9.184 -1.377 -4.469 1.00 0.00 N ATOM 496 CA ILE A 34 9.364 -0.713 -5.748 1.00 0.00 C ATOM 497 C ILE A 34 8.046 -0.063 -6.171 1.00 0.00 C ATOM 498 O ILE A 34 7.971 1.155 -6.324 1.00 0.00 O ATOM 499 CB ILE A 34 9.929 -1.688 -6.783 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.398 -2.004 -6.495 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.724 -1.159 -8.204 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.311 -0.894 -7.020 1.00 0.00 C ATOM 0 H ILE A 34 9.322 -2.387 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 34 10.100 0.086 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 34 9.378 -2.625 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.544 -2.123 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.668 -2.952 -6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.135 -1.871 -8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.659 -1.028 -8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.233 -0.201 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.349 -1.144 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.180 -0.794 -8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.055 0.048 -6.535 1.00 0.00 H new ATOM 514 N ALA A 35 7.038 -0.904 -6.348 1.00 0.00 N ATOM 515 CA ALA A 35 5.726 -0.427 -6.750 1.00 0.00 C ATOM 516 C ALA A 35 5.166 0.491 -5.661 1.00 0.00 C ATOM 517 O ALA A 35 4.473 1.462 -5.959 1.00 0.00 O ATOM 518 CB ALA A 35 4.812 -1.621 -7.033 1.00 0.00 C ATOM 0 H ALA A 35 7.104 -1.914 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 35 5.795 0.155 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.828 -1.262 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.239 -2.225 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.717 -2.228 -6.133 1.00 0.00 H new ATOM 524 N GLY A 36 5.488 0.150 -4.422 1.00 0.00 N ATOM 525 CA GLY A 36 5.025 0.930 -3.287 1.00 0.00 C ATOM 526 C GLY A 36 5.578 2.356 -3.340 1.00 0.00 C ATOM 527 O GLY A 36 4.862 3.314 -3.055 1.00 0.00 O ATOM 0 H GLY A 36 6.064 -0.656 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.935 0.959 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.336 0.449 -2.360 1.00 0.00 H new ATOM 531 N PHE A 37 6.848 2.451 -3.708 1.00 0.00 N ATOM 532 CA PHE A 37 7.505 3.743 -3.802 1.00 0.00 C ATOM 533 C PHE A 37 6.922 4.572 -4.948 1.00 0.00 C ATOM 534 O PHE A 37 6.489 5.705 -4.742 1.00 0.00 O ATOM 535 CB PHE A 37 8.984 3.473 -4.086 1.00 0.00 C ATOM 536 CG PHE A 37 9.898 4.671 -3.818 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.996 5.184 -2.563 1.00 0.00 C ATOM 538 CD2 PHE A 37 10.611 5.222 -4.836 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.844 6.296 -2.315 1.00 0.00 C ATOM 540 CE2 PHE A 37 11.459 6.334 -4.589 1.00 0.00 C ATOM 541 CZ PHE A 37 11.558 6.848 -3.333 1.00 0.00 C ATOM 0 H PHE A 37 7.439 1.654 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 37 7.363 4.301 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.314 2.633 -3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.094 3.171 -5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.429 4.746 -1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.532 4.814 -5.833 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.922 6.704 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.025 6.772 -5.398 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.203 7.694 -3.144 1.00 0.00 H new ATOM 551 N ALA A 38 6.929 3.976 -6.131 1.00 0.00 N ATOM 552 CA ALA A 38 6.406 4.645 -7.310 1.00 0.00 C ATOM 553 C ALA A 38 4.962 5.077 -7.048 1.00 0.00 C ATOM 554 O ALA A 38 4.625 6.250 -7.195 1.00 0.00 O ATOM 555 CB ALA A 38 6.527 3.717 -8.520 1.00 0.00 C ATOM 0 H ALA A 38 7.289 3.036 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 38 6.984 5.543 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.135 4.219 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.575 3.464 -8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.958 2.805 -8.338 1.00 0.00 H new ATOM 561 N ALA A 39 4.148 4.104 -6.664 1.00 0.00 N ATOM 562 CA ALA A 39 2.748 4.369 -6.380 1.00 0.00 C ATOM 563 C ALA A 39 2.646 5.479 -5.332 1.00 0.00 C ATOM 564 O ALA A 39 2.017 6.508 -5.572 1.00 0.00 O ATOM 565 CB ALA A 39 2.065 3.076 -5.929 1.00 0.00 C ATOM 0 H ALA A 39 4.431 3.132 -6.543 1.00 0.00 H new ATOM 0 HA ALA A 39 2.233 4.714 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.015 3.275 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.140 2.330 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.553 2.701 -5.029 1.00 0.00 H new ATOM 571 N ILE A 40 3.273 5.231 -4.191 1.00 0.00 N ATOM 572 CA ILE A 40 3.260 6.197 -3.106 1.00 0.00 C ATOM 573 C ILE A 40 3.415 7.606 -3.680 1.00 0.00 C ATOM 574 O ILE A 40 2.671 8.515 -3.316 1.00 0.00 O ATOM 575 CB ILE A 40 4.318 5.840 -2.059 1.00 0.00 C ATOM 576 CG1 ILE A 40 3.807 4.752 -1.112 1.00 0.00 C ATOM 577 CG2 ILE A 40 4.783 7.086 -1.302 1.00 0.00 C ATOM 578 CD1 ILE A 40 4.961 4.116 -0.335 1.00 0.00 C ATOM 0 H ILE A 40 3.793 4.376 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 40 2.304 6.169 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 40 5.187 5.434 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.087 5.180 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.282 3.986 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.534 6.804 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.214 7.799 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.932 7.543 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.571 3.346 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.667 3.667 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.469 4.881 0.253 1.00 0.00 H new ATOM 590 N VAL A 41 4.388 7.745 -4.570 1.00 0.00 N ATOM 591 CA VAL A 41 4.650 9.028 -5.199 1.00 0.00 C ATOM 592 C VAL A 41 3.392 9.498 -5.932 1.00 0.00 C ATOM 593 O VAL A 41 2.938 10.624 -5.735 1.00 0.00 O ATOM 594 CB VAL A 41 5.871 8.922 -6.114 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.123 10.242 -6.846 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.109 8.486 -5.328 1.00 0.00 C ATOM 0 H VAL A 41 5.004 6.989 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 41 4.888 9.781 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 41 5.664 8.158 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.997 10.140 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.253 10.494 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.299 11.034 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.963 8.418 -6.002 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.320 9.217 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.927 7.512 -4.874 1.00 0.00 H new ATOM 606 N ALA A 42 2.864 8.611 -6.763 1.00 0.00 N ATOM 607 CA ALA A 42 1.668 8.922 -7.527 1.00 0.00 C ATOM 608 C ALA A 42 0.571 9.403 -6.576 1.00 0.00 C ATOM 609 O ALA A 42 0.085 10.526 -6.700 1.00 0.00 O ATOM 610 CB ALA A 42 1.243 7.692 -8.332 1.00 0.00 C ATOM 0 H ALA A 42 3.242 7.678 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 42 1.864 9.725 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.346 7.925 -8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.045 7.408 -9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.035 6.866 -7.652 1.00 0.00 H new ATOM 616 N TYR A 43 0.213 8.530 -5.646 1.00 0.00 N ATOM 617 CA TYR A 43 -0.818 8.852 -4.673 1.00 0.00 C ATOM 618 C TYR A 43 -0.587 10.239 -4.070 1.00 0.00 C ATOM 619 O TYR A 43 -1.501 11.062 -4.029 1.00 0.00 O ATOM 620 CB TYR A 43 -0.697 7.801 -3.568 1.00 0.00 C ATOM 621 CG TYR A 43 -2.013 7.507 -2.844 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.124 7.117 -3.563 1.00 0.00 C ATOM 623 CD2 TYR A 43 -2.088 7.631 -1.471 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.362 6.840 -2.882 1.00 0.00 C ATOM 625 CE2 TYR A 43 -3.326 7.353 -0.790 1.00 0.00 C ATOM 626 CZ TYR A 43 -4.402 6.972 -1.529 1.00 0.00 C ATOM 627 OH TYR A 43 -5.571 6.710 -0.885 1.00 0.00 O ATOM 0 H TYR A 43 0.618 7.599 -5.545 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.802 8.854 -5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.317 6.875 -4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.040 8.138 -2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.065 7.019 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.218 7.936 -0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.239 6.534 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.398 7.445 0.284 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.451 6.845 0.078 1.00 0.00 H new ATOM 637 N GLY A 44 0.638 10.455 -3.615 1.00 0.00 N ATOM 638 CA GLY A 44 1.000 11.728 -3.016 1.00 0.00 C ATOM 639 C GLY A 44 0.640 12.893 -3.941 1.00 0.00 C ATOM 640 O GLY A 44 0.050 13.879 -3.502 1.00 0.00 O ATOM 0 H GLY A 44 1.393 9.770 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.485 11.844 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.069 11.744 -2.805 1.00 0.00 H new ATOM 644 N LEU A 45 1.008 12.739 -5.204 1.00 0.00 N ATOM 645 CA LEU A 45 0.731 13.765 -6.195 1.00 0.00 C ATOM 646 C LEU A 45 -0.774 14.039 -6.232 1.00 0.00 C ATOM 647 O LEU A 45 -1.198 15.193 -6.242 1.00 0.00 O ATOM 648 CB LEU A 45 1.318 13.372 -7.552 1.00 0.00 C ATOM 649 CG LEU A 45 2.497 14.214 -8.042 1.00 0.00 C ATOM 650 CD1 LEU A 45 3.828 13.618 -7.579 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.448 14.395 -9.560 1.00 0.00 C ATOM 0 H LEU A 45 1.496 11.919 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 45 1.219 14.700 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.637 12.331 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.525 13.425 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 45 2.416 15.205 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.649 14.236 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.852 13.584 -6.490 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.932 12.608 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.297 14.997 -9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.490 13.419 -10.044 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.521 14.897 -9.837 1.00 0.00 H new ATOM 663 N TYR A 46 -1.539 12.958 -6.250 1.00 0.00 N ATOM 664 CA TYR A 46 -2.988 13.067 -6.286 1.00 0.00 C ATOM 665 C TYR A 46 -3.531 13.593 -4.956 1.00 0.00 C ATOM 666 O TYR A 46 -4.443 14.418 -4.936 1.00 0.00 O ATOM 667 CB TYR A 46 -3.512 11.648 -6.512 1.00 0.00 C ATOM 668 CG TYR A 46 -4.939 11.592 -7.062 1.00 0.00 C ATOM 669 CD1 TYR A 46 -5.155 11.624 -8.425 1.00 0.00 C ATOM 670 CD2 TYR A 46 -6.010 11.509 -6.195 1.00 0.00 C ATOM 671 CE1 TYR A 46 -6.498 11.572 -8.942 1.00 0.00 C ATOM 672 CE2 TYR A 46 -7.353 11.457 -6.713 1.00 0.00 C ATOM 673 CZ TYR A 46 -7.531 11.490 -8.060 1.00 0.00 C ATOM 674 OH TYR A 46 -8.799 11.441 -8.549 1.00 0.00 O ATOM 0 H TYR A 46 -1.183 12.002 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.302 13.758 -7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.846 11.132 -7.204 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.476 11.104 -5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.317 11.688 -9.103 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.841 11.483 -5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.681 11.598 -10.006 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.200 11.393 -6.046 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.434 11.383 -7.805 1.00 0.00 H new ATOM 684 N LYS A 47 -2.947 13.093 -3.876 1.00 0.00 N ATOM 685 CA LYS A 47 -3.361 13.502 -2.545 1.00 0.00 C ATOM 686 C LYS A 47 -3.351 15.030 -2.459 1.00 0.00 C ATOM 687 O LYS A 47 -4.218 15.624 -1.820 1.00 0.00 O ATOM 688 CB LYS A 47 -2.496 12.821 -1.482 1.00 0.00 C ATOM 689 CG LYS A 47 -3.025 11.423 -1.158 1.00 0.00 C ATOM 690 CD LYS A 47 -2.429 10.901 0.151 1.00 0.00 C ATOM 691 CE LYS A 47 -3.369 11.170 1.327 1.00 0.00 C ATOM 692 NZ LYS A 47 -2.683 10.901 2.611 1.00 0.00 N ATOM 0 H LYS A 47 -2.191 12.409 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.383 13.178 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.467 12.752 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.482 13.427 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.112 11.450 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.780 10.740 -1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.242 9.830 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.467 11.380 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.709 12.205 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.255 10.541 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.335 11.089 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.380 9.906 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.851 11.519 2.696 1.00 0.00 H new ATOM 706 N LEU A 48 -2.362 15.621 -3.112 1.00 0.00 N ATOM 707 CA LEU A 48 -2.229 17.068 -3.118 1.00 0.00 C ATOM 708 C LEU A 48 -3.615 17.703 -3.245 1.00 0.00 C ATOM 709 O LEU A 48 -3.847 18.800 -2.739 1.00 0.00 O ATOM 710 CB LEU A 48 -1.247 17.511 -4.205 1.00 0.00 C ATOM 711 CG LEU A 48 -0.140 18.468 -3.759 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.054 18.407 -4.714 1.00 0.00 C ATOM 713 CD2 LEU A 48 -0.675 19.892 -3.602 1.00 0.00 C ATOM 0 H LEU A 48 -1.645 15.124 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.804 17.416 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.782 16.622 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.813 17.989 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 48 0.213 18.148 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.827 19.097 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.454 17.393 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.732 18.688 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.133 20.551 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.072 20.239 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.467 19.903 -2.854 1.00 0.00 H new ATOM 725 N LYS A 49 -4.499 16.986 -3.922 1.00 0.00 N ATOM 726 CA LYS A 49 -5.856 17.466 -4.121 1.00 0.00 C ATOM 727 C LYS A 49 -5.871 18.478 -5.269 1.00 0.00 C ATOM 728 O LYS A 49 -5.046 18.404 -6.178 1.00 0.00 O ATOM 729 CB LYS A 49 -6.429 18.013 -2.812 1.00 0.00 C ATOM 730 CG LYS A 49 -7.902 17.629 -2.655 1.00 0.00 C ATOM 731 CD LYS A 49 -8.763 18.862 -2.376 1.00 0.00 C ATOM 732 CE LYS A 49 -9.703 18.618 -1.194 1.00 0.00 C ATOM 733 NZ LYS A 49 -8.970 18.750 0.086 1.00 0.00 N ATOM 0 H LYS A 49 -4.302 16.076 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.512 16.645 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.856 17.624 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.328 19.098 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.251 17.135 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.010 16.913 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.122 19.718 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.345 19.112 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.527 19.331 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.140 17.622 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.578 18.434 0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.111 18.164 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.705 19.745 0.233 1.00 0.00 H new ATOM 747 N SER A 50 -6.820 19.400 -5.190 1.00 0.00 N ATOM 748 CA SER A 50 -6.953 20.425 -6.211 1.00 0.00 C ATOM 749 C SER A 50 -7.215 19.777 -7.572 1.00 0.00 C ATOM 750 O SER A 50 -6.766 20.282 -8.601 1.00 0.00 O ATOM 751 CB SER A 50 -5.703 21.306 -6.275 1.00 0.00 C ATOM 752 OG SER A 50 -5.871 22.523 -5.554 1.00 0.00 O ATOM 0 H SER A 50 -7.503 19.458 -4.435 1.00 0.00 H new ATOM 0 HA SER A 50 -7.799 21.060 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.852 20.759 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.470 21.530 -7.316 1.00 0.00 H new ATOM 0 HG SER A 50 -5.051 23.057 -5.617 1.00 0.00 H new ATOM 758 N ARG A 51 -7.941 18.670 -7.534 1.00 0.00 N ATOM 759 CA ARG A 51 -8.269 17.948 -8.752 1.00 0.00 C ATOM 760 C ARG A 51 -9.392 16.943 -8.488 1.00 0.00 C ATOM 761 O ARG A 51 -10.470 17.043 -9.071 1.00 0.00 O ATOM 762 CB ARG A 51 -7.047 17.205 -9.298 1.00 0.00 C ATOM 763 CG ARG A 51 -7.093 17.122 -10.825 1.00 0.00 C ATOM 764 CD ARG A 51 -5.890 17.831 -11.450 1.00 0.00 C ATOM 765 NE ARG A 51 -4.914 16.833 -11.941 1.00 0.00 N ATOM 766 CZ ARG A 51 -3.726 17.148 -12.501 1.00 0.00 C ATOM 767 NH1 ARG A 51 -3.357 18.439 -12.644 1.00 0.00 N ATOM 768 NH2 ARG A 51 -2.931 16.175 -12.905 1.00 0.00 N ATOM 0 H ARG A 51 -8.312 18.255 -6.679 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.597 18.678 -9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.136 17.716 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.009 16.200 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.105 16.077 -11.136 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.016 17.574 -11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.219 18.466 -12.273 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.418 18.482 -10.714 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.153 15.846 -11.851 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.977 19.185 -12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.458 18.669 -13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.217 15.203 -12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.030 16.396 -13.330 1.00 0.00 H new ATOM 782 N GLY A 52 -9.100 15.996 -7.608 1.00 0.00 N ATOM 783 CA GLY A 52 -10.071 14.974 -7.259 1.00 0.00 C ATOM 784 C GLY A 52 -10.583 15.168 -5.830 1.00 0.00 C ATOM 785 O GLY A 52 -9.929 15.818 -5.016 1.00 0.00 O ATOM 0 H GLY A 52 -8.204 15.916 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.908 15.009 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.617 13.988 -7.355 1.00 0.00 H new ATOM 789 N ASN A 53 -11.747 14.592 -5.569 1.00 0.00 N ATOM 790 CA ASN A 53 -12.354 14.693 -4.252 1.00 0.00 C ATOM 791 C ASN A 53 -12.724 13.294 -3.757 1.00 0.00 C ATOM 792 O ASN A 53 -13.315 12.507 -4.495 1.00 0.00 O ATOM 793 CB ASN A 53 -13.632 15.532 -4.298 1.00 0.00 C ATOM 794 CG ASN A 53 -14.510 15.130 -5.485 1.00 0.00 C ATOM 795 OD1 ASN A 53 -14.808 16.135 -6.303 1.00 0.00 O flip ATOM 796 ND2 ASN A 53 -14.891 13.982 -5.647 1.00 0.00 N flip ATOM 0 H ASN A 53 -12.286 14.054 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.635 15.168 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.189 15.404 -3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.375 16.589 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.625 13.258 -4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.475 13.747 -6.449 1.00 0.00 H new ATOM 803 N THR A 54 -12.362 13.027 -2.511 1.00 0.00 N ATOM 804 CA THR A 54 -12.649 11.736 -1.908 1.00 0.00 C ATOM 805 C THR A 54 -12.337 11.766 -0.411 1.00 0.00 C ATOM 806 O THR A 54 -13.183 11.412 0.410 1.00 0.00 O ATOM 807 CB THR A 54 -11.859 10.671 -2.672 1.00 0.00 C ATOM 808 OG1 THR A 54 -11.909 9.527 -1.825 1.00 0.00 O ATOM 809 CG2 THR A 54 -10.368 11.002 -2.764 1.00 0.00 C ATOM 0 H THR A 54 -11.872 13.683 -1.902 1.00 0.00 H new ATOM 0 HA THR A 54 -13.709 11.491 -1.983 1.00 0.00 H new ATOM 0 HB THR A 54 -12.270 10.565 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.422 8.788 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.854 10.215 -3.315 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.238 11.952 -3.282 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.949 11.075 -1.760 1.00 0.00 H new ATOM 817 N LYS A 55 -11.121 12.191 -0.100 1.00 0.00 N ATOM 818 CA LYS A 55 -10.688 12.271 1.285 1.00 0.00 C ATOM 819 C LYS A 55 -9.250 12.791 1.335 1.00 0.00 C ATOM 820 O LYS A 55 -8.345 12.181 0.768 1.00 0.00 O ATOM 821 CB LYS A 55 -10.880 10.925 1.985 1.00 0.00 C ATOM 822 CG LYS A 55 -10.162 10.902 3.336 1.00 0.00 C ATOM 823 CD LYS A 55 -11.007 10.191 4.395 1.00 0.00 C ATOM 824 CE LYS A 55 -11.693 11.200 5.318 1.00 0.00 C ATOM 825 NZ LYS A 55 -11.256 11.001 6.718 1.00 0.00 N ATOM 0 H LYS A 55 -10.422 12.483 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.304 12.981 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.943 10.736 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.497 10.124 1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.202 10.397 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.952 11.922 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.758 9.569 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.375 9.526 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.456 12.215 4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.775 11.088 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.731 11.694 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.504 10.039 7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.226 11.130 6.782 1.00 0.00 H new ATOM 839 N MET A 56 -9.084 13.914 2.019 1.00 0.00 N ATOM 840 CA MET A 56 -7.771 14.523 2.151 1.00 0.00 C ATOM 841 C MET A 56 -7.774 15.602 3.235 1.00 0.00 C ATOM 842 O MET A 56 -8.830 16.112 3.606 1.00 0.00 O ATOM 843 CB MET A 56 -7.360 15.143 0.814 1.00 0.00 C ATOM 844 CG MET A 56 -5.841 15.307 0.730 1.00 0.00 C ATOM 845 SD MET A 56 -5.412 17.039 0.751 1.00 0.00 S ATOM 846 CE MET A 56 -3.666 16.922 1.105 1.00 0.00 C ATOM 0 H MET A 56 -9.837 14.418 2.488 1.00 0.00 H new ATOM 0 HA MET A 56 -7.059 13.749 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 56 -7.707 14.513 -0.005 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.841 16.114 0.696 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.365 14.796 1.567 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.467 14.842 -0.182 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.184 17.873 0.877 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.524 16.687 2.160 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.223 16.135 0.495 1.00 0.00 H new ATOM 856 N SER A 57 -6.579 15.918 3.714 1.00 0.00 N ATOM 857 CA SER A 57 -6.430 16.927 4.748 1.00 0.00 C ATOM 858 C SER A 57 -7.140 16.475 6.026 1.00 0.00 C ATOM 859 O SER A 57 -8.365 16.368 6.056 1.00 0.00 O ATOM 860 CB SER A 57 -6.981 18.277 4.284 1.00 0.00 C ATOM 861 OG SER A 57 -7.095 19.205 5.359 1.00 0.00 O ATOM 0 H SER A 57 -5.705 15.492 3.404 1.00 0.00 H new ATOM 0 HA SER A 57 -5.367 17.051 4.955 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.328 18.691 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.959 18.131 3.826 1.00 0.00 H new ATOM 0 HG SER A 57 -7.449 20.054 5.022 1.00 0.00 H new ATOM 867 N ILE A 58 -6.340 16.222 7.051 1.00 0.00 N ATOM 868 CA ILE A 58 -6.876 15.784 8.329 1.00 0.00 C ATOM 869 C ILE A 58 -5.744 15.714 9.355 1.00 0.00 C ATOM 870 O ILE A 58 -5.629 14.737 10.093 1.00 0.00 O ATOM 871 CB ILE A 58 -7.641 14.469 8.167 1.00 0.00 C ATOM 872 CG1 ILE A 58 -8.500 14.178 9.399 1.00 0.00 C ATOM 873 CG2 ILE A 58 -6.687 13.315 7.848 1.00 0.00 C ATOM 874 CD1 ILE A 58 -9.702 15.123 9.464 1.00 0.00 C ATOM 0 H ILE A 58 -5.324 16.312 7.023 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.603 16.505 8.704 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.319 14.571 7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.846 13.145 9.370 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.898 14.287 10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.256 12.392 7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.157 13.527 6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.968 13.203 8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.296 14.895 10.349 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.352 16.154 9.517 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.315 14.994 8.572 1.00 0.00 H new ATOM 886 N HIS A 59 -4.935 16.764 9.370 1.00 0.00 N ATOM 887 CA HIS A 59 -3.816 16.834 10.294 1.00 0.00 C ATOM 888 C HIS A 59 -2.920 18.019 9.926 1.00 0.00 C ATOM 889 O HIS A 59 -2.322 18.644 10.799 1.00 0.00 O ATOM 890 CB HIS A 59 -3.058 15.506 10.330 1.00 0.00 C ATOM 891 CG HIS A 59 -3.217 14.743 11.623 1.00 0.00 C ATOM 892 ND1 HIS A 59 -3.087 15.338 12.866 1.00 0.00 N ATOM 893 CD2 HIS A 59 -3.498 13.428 11.853 1.00 0.00 C ATOM 894 CE1 HIS A 59 -3.282 14.413 13.795 1.00 0.00 C ATOM 895 NE2 HIS A 59 -3.536 13.230 13.165 1.00 0.00 N ATOM 0 H HIS A 59 -5.033 17.573 8.757 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.185 17.003 11.306 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.402 14.881 9.506 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.999 15.699 10.162 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.662 12.675 11.096 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.246 14.569 14.863 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.724 12.340 13.626 1.00 0.00 H new ATOM 903 N LEU A 60 -2.857 18.292 8.631 1.00 0.00 N ATOM 904 CA LEU A 60 -2.045 19.390 8.136 1.00 0.00 C ATOM 905 C LEU A 60 -0.567 19.075 8.378 1.00 0.00 C ATOM 906 O LEU A 60 0.284 19.957 8.274 1.00 0.00 O ATOM 907 CB LEU A 60 -2.500 20.714 8.754 1.00 0.00 C ATOM 908 CG LEU A 60 -3.896 21.195 8.353 1.00 0.00 C ATOM 909 CD1 LEU A 60 -4.757 21.468 9.588 1.00 0.00 C ATOM 910 CD2 LEU A 60 -3.813 22.414 7.432 1.00 0.00 C ATOM 0 H LEU A 60 -3.355 17.771 7.909 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.175 19.505 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.469 20.616 9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.779 21.486 8.483 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.383 20.399 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.744 21.809 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.857 20.553 10.171 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.284 22.237 10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.819 22.735 7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.299 23.225 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.262 22.151 6.529 1.00 0.00 H new ATOM 922 N ILE A 61 -0.308 17.815 8.696 1.00 0.00 N ATOM 923 CA ILE A 61 1.052 17.373 8.954 1.00 0.00 C ATOM 924 C ILE A 61 1.426 16.278 7.953 1.00 0.00 C ATOM 925 O ILE A 61 1.757 15.160 8.345 1.00 0.00 O ATOM 926 CB ILE A 61 1.210 16.949 10.416 1.00 0.00 C ATOM 927 CG1 ILE A 61 0.622 15.556 10.649 1.00 0.00 C ATOM 928 CG2 ILE A 61 0.604 17.992 11.357 1.00 0.00 C ATOM 929 CD1 ILE A 61 1.726 14.537 10.937 1.00 0.00 C ATOM 0 H ILE A 61 -1.017 17.086 8.781 1.00 0.00 H new ATOM 0 HA ILE A 61 1.754 18.194 8.807 1.00 0.00 H new ATOM 0 HB ILE A 61 2.275 16.891 10.642 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.076 15.587 11.485 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.055 15.245 9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.729 17.667 12.390 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.108 18.948 11.214 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.458 18.106 11.139 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.282 13.555 11.099 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.409 14.491 10.089 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.275 14.838 11.829 1.00 0.00 H new ATOM 941 N HIS A 62 1.360 16.638 6.679 1.00 0.00 N ATOM 942 CA HIS A 62 1.688 15.700 5.619 1.00 0.00 C ATOM 943 C HIS A 62 2.770 16.300 4.719 1.00 0.00 C ATOM 944 O HIS A 62 3.861 15.745 4.599 1.00 0.00 O ATOM 945 CB HIS A 62 0.432 15.294 4.845 1.00 0.00 C ATOM 946 CG HIS A 62 0.607 15.293 3.346 1.00 0.00 C ATOM 947 ND1 HIS A 62 0.476 16.435 2.575 1.00 0.00 N ATOM 948 CD2 HIS A 62 0.906 14.279 2.484 1.00 0.00 C ATOM 949 CE1 HIS A 62 0.687 16.110 1.307 1.00 0.00 C ATOM 950 NE2 HIS A 62 0.953 14.774 1.253 1.00 0.00 N ATOM 0 H HIS A 62 1.084 17.566 6.357 1.00 0.00 H new ATOM 0 HA HIS A 62 2.090 14.784 6.051 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.127 14.298 5.165 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.378 15.975 5.105 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.076 13.248 2.757 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.654 16.785 0.465 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.155 14.242 0.406 1.00 0.00 H new ATOM 958 N MET A 63 2.430 17.426 4.109 1.00 0.00 N ATOM 959 CA MET A 63 3.359 18.108 3.224 1.00 0.00 C ATOM 960 C MET A 63 3.650 17.265 1.981 1.00 0.00 C ATOM 961 O MET A 63 3.221 17.608 0.880 1.00 0.00 O ATOM 962 CB MET A 63 4.665 18.386 3.970 1.00 0.00 C ATOM 963 CG MET A 63 4.890 19.890 4.141 1.00 0.00 C ATOM 964 SD MET A 63 6.003 20.190 5.503 1.00 0.00 S ATOM 965 CE MET A 63 5.782 21.950 5.702 1.00 0.00 C ATOM 0 H MET A 63 1.524 17.883 4.210 1.00 0.00 H new ATOM 0 HA MET A 63 2.906 19.047 2.906 1.00 0.00 H new ATOM 0 HB2 MET A 63 4.639 17.905 4.948 1.00 0.00 H new ATOM 0 HB3 MET A 63 5.501 17.950 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.303 20.311 3.224 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.938 20.390 4.321 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.410 22.306 6.519 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.063 22.459 4.780 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.737 22.162 5.929 1.00 0.00 H new ATOM 975 N ARG A 64 4.377 16.179 2.198 1.00 0.00 N ATOM 976 CA ARG A 64 4.731 15.285 1.109 1.00 0.00 C ATOM 977 C ARG A 64 5.628 14.156 1.620 1.00 0.00 C ATOM 978 O ARG A 64 5.174 13.026 1.791 1.00 0.00 O ATOM 979 CB ARG A 64 5.455 16.037 -0.008 1.00 0.00 C ATOM 980 CG ARG A 64 5.832 15.092 -1.151 1.00 0.00 C ATOM 981 CD ARG A 64 6.244 15.877 -2.398 1.00 0.00 C ATOM 982 NE ARG A 64 7.584 15.440 -2.851 1.00 0.00 N ATOM 983 CZ ARG A 64 8.743 15.975 -2.411 1.00 0.00 C ATOM 984 NH1 ARG A 64 8.736 16.972 -1.501 1.00 0.00 N ATOM 985 NH2 ARG A 64 9.883 15.507 -2.884 1.00 0.00 N ATOM 0 H ARG A 64 4.731 15.898 3.112 1.00 0.00 H new ATOM 0 HA ARG A 64 3.807 14.867 0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.817 16.835 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.353 16.509 0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.651 14.445 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.987 14.445 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.514 15.723 -3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.255 16.945 -2.179 1.00 0.00 H new ATOM 0 HE ARG A 64 7.635 14.688 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.850 17.327 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.616 17.370 -1.174 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.879 14.753 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.768 15.899 -2.563 1.00 0.00 H new ATOM 999 N VAL A 65 6.887 14.501 1.849 1.00 0.00 N ATOM 1000 CA VAL A 65 7.853 13.531 2.336 1.00 0.00 C ATOM 1001 C VAL A 65 7.521 13.172 3.786 1.00 0.00 C ATOM 1002 O VAL A 65 7.576 12.004 4.168 1.00 0.00 O ATOM 1003 CB VAL A 65 9.273 14.074 2.165 1.00 0.00 C ATOM 1004 CG1 VAL A 65 10.295 13.157 2.838 1.00 0.00 C ATOM 1005 CG2 VAL A 65 9.607 14.278 0.686 1.00 0.00 C ATOM 0 H VAL A 65 7.260 15.439 1.706 1.00 0.00 H new ATOM 0 HA VAL A 65 7.799 12.612 1.752 1.00 0.00 H new ATOM 0 HB VAL A 65 9.322 15.046 2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.296 13.566 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.074 13.086 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.244 12.165 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.622 14.665 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.531 13.326 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.906 14.989 0.249 1.00 0.00 H new ATOM 1015 N ALA A 66 7.183 14.197 4.553 1.00 0.00 N ATOM 1016 CA ALA A 66 6.842 14.004 5.953 1.00 0.00 C ATOM 1017 C ALA A 66 5.811 12.879 6.072 1.00 0.00 C ATOM 1018 O ALA A 66 6.065 11.866 6.721 1.00 0.00 O ATOM 1019 CB ALA A 66 6.336 15.323 6.542 1.00 0.00 C ATOM 0 H ALA A 66 7.138 15.164 4.232 1.00 0.00 H new ATOM 0 HA ALA A 66 7.721 13.707 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.080 15.178 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.115 16.081 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.452 15.650 5.995 1.00 0.00 H new ATOM 1025 N ALA A 67 4.670 13.096 5.434 1.00 0.00 N ATOM 1026 CA ALA A 67 3.600 12.113 5.460 1.00 0.00 C ATOM 1027 C ALA A 67 4.125 10.780 4.923 1.00 0.00 C ATOM 1028 O ALA A 67 3.592 9.721 5.252 1.00 0.00 O ATOM 1029 CB ALA A 67 2.407 12.635 4.657 1.00 0.00 C ATOM 0 H ALA A 67 4.463 13.938 4.896 1.00 0.00 H new ATOM 0 HA ALA A 67 3.258 11.946 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.605 11.898 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.053 13.568 5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.712 12.812 3.626 1.00 0.00 H new ATOM 1035 N GLN A 68 5.164 10.875 4.106 1.00 0.00 N ATOM 1036 CA GLN A 68 5.767 9.689 3.521 1.00 0.00 C ATOM 1037 C GLN A 68 6.502 8.883 4.593 1.00 0.00 C ATOM 1038 O GLN A 68 6.497 7.653 4.562 1.00 0.00 O ATOM 1039 CB GLN A 68 6.708 10.063 2.374 1.00 0.00 C ATOM 1040 CG GLN A 68 6.594 9.061 1.223 1.00 0.00 C ATOM 1041 CD GLN A 68 7.711 9.272 0.199 1.00 0.00 C ATOM 1042 OE1 GLN A 68 8.242 10.359 0.036 1.00 0.00 O ATOM 1043 NE2 GLN A 68 8.038 8.176 -0.479 1.00 0.00 N ATOM 0 H GLN A 68 5.604 11.755 3.835 1.00 0.00 H new ATOM 0 HA GLN A 68 4.973 9.067 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.469 11.064 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.736 10.091 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.642 8.045 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.625 9.169 0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.554 7.298 -0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.773 8.213 -1.185 1.00 0.00 H new ATOM 1052 N GLY A 69 7.116 9.608 5.517 1.00 0.00 N ATOM 1053 CA GLY A 69 7.854 8.975 6.597 1.00 0.00 C ATOM 1054 C GLY A 69 6.901 8.365 7.627 1.00 0.00 C ATOM 1055 O GLY A 69 7.024 7.190 7.972 1.00 0.00 O ATOM 0 H GLY A 69 7.117 10.628 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.504 8.199 6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.498 9.709 7.082 1.00 0.00 H new ATOM 1059 N PHE A 70 5.974 9.189 8.090 1.00 0.00 N ATOM 1060 CA PHE A 70 5.001 8.745 9.074 1.00 0.00 C ATOM 1061 C PHE A 70 4.203 7.548 8.555 1.00 0.00 C ATOM 1062 O PHE A 70 4.059 6.544 9.251 1.00 0.00 O ATOM 1063 CB PHE A 70 4.044 9.914 9.317 1.00 0.00 C ATOM 1064 CG PHE A 70 4.340 10.707 10.591 1.00 0.00 C ATOM 1065 CD1 PHE A 70 3.785 10.326 11.773 1.00 0.00 C ATOM 1066 CD2 PHE A 70 5.158 11.792 10.543 1.00 0.00 C ATOM 1067 CE1 PHE A 70 4.060 11.061 12.956 1.00 0.00 C ATOM 1068 CE2 PHE A 70 5.433 12.528 11.726 1.00 0.00 C ATOM 1069 CZ PHE A 70 4.878 12.147 12.908 1.00 0.00 C ATOM 0 H PHE A 70 5.875 10.163 7.802 1.00 0.00 H new ATOM 0 HA PHE A 70 5.510 8.439 9.988 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.088 10.589 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.025 9.531 9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.135 9.464 11.811 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.599 12.094 9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.620 10.758 13.894 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.083 13.390 11.687 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.087 12.706 13.808 1.00 0.00 H new ATOM 1079 N VAL A 71 3.706 7.693 7.335 1.00 0.00 N ATOM 1080 CA VAL A 71 2.926 6.635 6.714 1.00 0.00 C ATOM 1081 C VAL A 71 3.803 5.392 6.547 1.00 0.00 C ATOM 1082 O VAL A 71 3.449 4.312 7.018 1.00 0.00 O ATOM 1083 CB VAL A 71 2.333 7.130 5.393 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.811 5.961 4.555 1.00 0.00 C ATOM 1085 CG2 VAL A 71 1.231 8.162 5.640 1.00 0.00 C ATOM 0 H VAL A 71 3.828 8.527 6.760 1.00 0.00 H new ATOM 0 HA VAL A 71 2.085 6.357 7.349 1.00 0.00 H new ATOM 0 HB VAL A 71 3.129 7.617 4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.395 6.340 3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.630 5.276 4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.036 5.433 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.826 8.498 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.436 7.710 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.645 9.015 6.178 1.00 0.00 H new ATOM 1095 N VAL A 72 4.928 5.587 5.876 1.00 0.00 N ATOM 1096 CA VAL A 72 5.858 4.495 5.642 1.00 0.00 C ATOM 1097 C VAL A 72 5.955 3.634 6.903 1.00 0.00 C ATOM 1098 O VAL A 72 5.803 2.415 6.840 1.00 0.00 O ATOM 1099 CB VAL A 72 7.211 5.047 5.190 1.00 0.00 C ATOM 1100 CG1 VAL A 72 8.347 4.098 5.576 1.00 0.00 C ATOM 1101 CG2 VAL A 72 7.215 5.324 3.685 1.00 0.00 C ATOM 0 H VAL A 72 5.217 6.484 5.487 1.00 0.00 H new ATOM 0 HA VAL A 72 5.499 3.854 4.837 1.00 0.00 H new ATOM 0 HB VAL A 72 7.376 5.993 5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.298 4.514 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.365 3.973 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.189 3.129 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.188 5.716 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.017 4.399 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.442 6.055 3.448 1.00 0.00 H new ATOM 1111 N GLY A 73 6.208 4.302 8.019 1.00 0.00 N ATOM 1112 CA GLY A 73 6.327 3.613 9.293 1.00 0.00 C ATOM 1113 C GLY A 73 5.052 2.831 9.615 1.00 0.00 C ATOM 1114 O GLY A 73 5.099 1.621 9.832 1.00 0.00 O ATOM 0 H GLY A 73 6.334 5.313 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.178 2.932 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.524 4.336 10.084 1.00 0.00 H new ATOM 1118 N ALA A 74 3.942 3.554 9.636 1.00 0.00 N ATOM 1119 CA ALA A 74 2.656 2.943 9.927 1.00 0.00 C ATOM 1120 C ALA A 74 2.510 1.658 9.111 1.00 0.00 C ATOM 1121 O ALA A 74 2.293 0.584 9.670 1.00 0.00 O ATOM 1122 CB ALA A 74 1.537 3.946 9.641 1.00 0.00 C ATOM 0 H ALA A 74 3.906 4.557 9.456 1.00 0.00 H new ATOM 0 HA ALA A 74 2.590 2.673 10.981 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.573 3.487 9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.670 4.828 10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.570 4.239 8.592 1.00 0.00 H new ATOM 1128 N MET A 75 2.634 1.810 7.800 1.00 0.00 N ATOM 1129 CA MET A 75 2.519 0.674 6.901 1.00 0.00 C ATOM 1130 C MET A 75 3.444 -0.465 7.334 1.00 0.00 C ATOM 1131 O MET A 75 2.983 -1.567 7.626 1.00 0.00 O ATOM 1132 CB MET A 75 2.877 1.111 5.479 1.00 0.00 C ATOM 1133 CG MET A 75 1.661 1.704 4.765 1.00 0.00 C ATOM 1134 SD MET A 75 2.178 2.557 3.285 1.00 0.00 S ATOM 1135 CE MET A 75 0.587 2.890 2.547 1.00 0.00 C ATOM 0 H MET A 75 2.813 2.702 7.339 1.00 0.00 H new ATOM 0 HA MET A 75 1.491 0.312 6.932 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.679 1.849 5.512 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.253 0.257 4.916 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.956 0.912 4.511 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.140 2.394 5.429 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.727 3.423 1.606 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.070 1.949 2.358 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.008 3.501 3.225 1.00 0.00 H new ATOM 1145 N THR A 76 4.733 -0.159 7.362 1.00 0.00 N ATOM 1146 CA THR A 76 5.727 -1.143 7.755 1.00 0.00 C ATOM 1147 C THR A 76 5.208 -1.991 8.917 1.00 0.00 C ATOM 1148 O THR A 76 5.363 -3.211 8.918 1.00 0.00 O ATOM 1149 CB THR A 76 7.026 -0.401 8.076 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.587 -0.112 6.798 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.066 -1.303 8.744 1.00 0.00 C ATOM 0 H THR A 76 5.112 0.756 7.119 1.00 0.00 H new ATOM 0 HA THR A 76 5.929 -1.846 6.947 1.00 0.00 H new ATOM 0 HB THR A 76 6.808 0.446 8.727 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.207 0.724 6.455 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.968 -0.727 8.950 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.663 -1.693 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.309 -2.132 8.080 1.00 0.00 H new ATOM 1159 N VAL A 77 4.602 -1.311 9.880 1.00 0.00 N ATOM 1160 CA VAL A 77 4.059 -1.987 11.046 1.00 0.00 C ATOM 1161 C VAL A 77 2.922 -2.913 10.610 1.00 0.00 C ATOM 1162 O VAL A 77 2.894 -4.085 10.982 1.00 0.00 O ATOM 1163 CB VAL A 77 3.625 -0.958 12.092 1.00 0.00 C ATOM 1164 CG1 VAL A 77 2.883 -1.631 13.248 1.00 0.00 C ATOM 1165 CG2 VAL A 77 4.824 -0.156 12.603 1.00 0.00 C ATOM 0 H VAL A 77 4.475 -0.299 9.876 1.00 0.00 H new ATOM 0 HA VAL A 77 4.821 -2.608 11.517 1.00 0.00 H new ATOM 0 HB VAL A 77 2.937 -0.262 11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.586 -0.877 13.977 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.996 -2.136 12.866 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.538 -2.360 13.726 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.488 0.568 13.345 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.547 -0.833 13.058 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.292 0.369 11.770 1.00 0.00 H new ATOM 1175 N GLY A 78 2.012 -2.352 9.827 1.00 0.00 N ATOM 1176 CA GLY A 78 0.875 -3.112 9.337 1.00 0.00 C ATOM 1177 C GLY A 78 1.334 -4.386 8.624 1.00 0.00 C ATOM 1178 O GLY A 78 0.841 -5.475 8.911 1.00 0.00 O ATOM 0 H GLY A 78 2.039 -1.380 9.520 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.221 -3.372 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.290 -2.498 8.652 1.00 0.00 H new ATOM 1182 N MET A 79 2.274 -4.206 7.707 1.00 0.00 N ATOM 1183 CA MET A 79 2.805 -5.327 6.950 1.00 0.00 C ATOM 1184 C MET A 79 3.504 -6.329 7.872 1.00 0.00 C ATOM 1185 O MET A 79 3.243 -7.529 7.802 1.00 0.00 O ATOM 1186 CB MET A 79 3.799 -4.813 5.907 1.00 0.00 C ATOM 1187 CG MET A 79 3.527 -5.437 4.536 1.00 0.00 C ATOM 1188 SD MET A 79 2.537 -4.330 3.547 1.00 0.00 S ATOM 1189 CE MET A 79 0.966 -5.175 3.614 1.00 0.00 C ATOM 0 H MET A 79 2.681 -3.301 7.471 1.00 0.00 H new ATOM 0 HA MET A 79 1.976 -5.834 6.456 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.729 -3.728 5.837 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.816 -5.047 6.222 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.469 -5.646 4.029 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.011 -6.390 4.657 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.235 -4.633 3.013 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.080 -6.186 3.222 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.622 -5.223 4.647 1.00 0.00 H new ATOM 1199 N GLY A 80 4.379 -5.799 8.714 1.00 0.00 N ATOM 1200 CA GLY A 80 5.117 -6.631 9.648 1.00 0.00 C ATOM 1201 C GLY A 80 4.176 -7.562 10.415 1.00 0.00 C ATOM 1202 O GLY A 80 4.499 -8.727 10.644 1.00 0.00 O ATOM 0 H GLY A 80 4.593 -4.803 8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.858 -7.221 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.662 -6.000 10.350 1.00 0.00 H new ATOM 1206 N TYR A 81 3.030 -7.014 10.791 1.00 0.00 N ATOM 1207 CA TYR A 81 2.039 -7.781 11.528 1.00 0.00 C ATOM 1208 C TYR A 81 1.135 -8.566 10.576 1.00 0.00 C ATOM 1209 O TYR A 81 0.495 -9.536 10.979 1.00 0.00 O ATOM 1210 CB TYR A 81 1.193 -6.757 12.288 1.00 0.00 C ATOM 1211 CG TYR A 81 1.636 -6.537 13.736 1.00 0.00 C ATOM 1212 CD1 TYR A 81 1.260 -7.432 14.717 1.00 0.00 C ATOM 1213 CD2 TYR A 81 2.412 -5.443 14.061 1.00 0.00 C ATOM 1214 CE1 TYR A 81 1.676 -7.224 16.079 1.00 0.00 C ATOM 1215 CE2 TYR A 81 2.829 -5.235 15.424 1.00 0.00 C ATOM 1216 CZ TYR A 81 2.440 -6.136 16.366 1.00 0.00 C ATOM 1217 OH TYR A 81 2.834 -5.940 17.653 1.00 0.00 O ATOM 0 H TYR A 81 2.765 -6.048 10.599 1.00 0.00 H new ATOM 0 HA TYR A 81 2.523 -8.498 12.191 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.231 -5.805 11.759 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.153 -7.084 12.282 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.653 -8.289 14.463 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.707 -4.743 13.293 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.388 -7.917 16.856 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.437 -4.383 15.692 1.00 0.00 H new ATOM 0 HH TYR A 81 3.375 -5.125 17.709 1.00 0.00 H new ATOM 1227 N SER A 82 1.110 -8.116 9.329 1.00 0.00 N ATOM 1228 CA SER A 82 0.294 -8.764 8.317 1.00 0.00 C ATOM 1229 C SER A 82 -1.040 -9.205 8.922 1.00 0.00 C ATOM 1230 O SER A 82 -1.176 -10.342 9.373 1.00 0.00 O ATOM 1231 CB SER A 82 1.022 -9.964 7.707 1.00 0.00 C ATOM 1232 OG SER A 82 0.635 -10.194 6.355 1.00 0.00 O ATOM 0 H SER A 82 1.642 -7.311 8.998 1.00 0.00 H new ATOM 0 HA SER A 82 0.104 -8.045 7.520 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.098 -9.796 7.752 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.813 -10.854 8.300 1.00 0.00 H new ATOM 0 HG SER A 82 1.123 -10.967 6.002 1.00 0.00 H new ATOM 1238 N MET A 83 -1.991 -8.283 8.913 1.00 0.00 N ATOM 1239 CA MET A 83 -3.310 -8.562 9.456 1.00 0.00 C ATOM 1240 C MET A 83 -3.742 -9.995 9.136 1.00 0.00 C ATOM 1241 O MET A 83 -4.210 -10.717 10.015 1.00 0.00 O ATOM 1242 CB MET A 83 -4.323 -7.579 8.867 1.00 0.00 C ATOM 1243 CG MET A 83 -4.352 -6.276 9.667 1.00 0.00 C ATOM 1244 SD MET A 83 -5.274 -5.033 8.778 1.00 0.00 S ATOM 1245 CE MET A 83 -4.295 -3.590 9.157 1.00 0.00 C ATOM 0 H MET A 83 -1.875 -7.342 8.538 1.00 0.00 H new ATOM 0 HA MET A 83 -3.269 -8.448 10.539 1.00 0.00 H new ATOM 0 HB2 MET A 83 -4.068 -7.367 7.829 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.315 -8.031 8.865 1.00 0.00 H new ATOM 0 HG2 MET A 83 -4.806 -6.449 10.643 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.335 -5.927 9.846 1.00 0.00 H new ATOM 0 HE1 MET A 83 -4.734 -2.716 8.676 1.00 0.00 H new ATOM 0 HE2 MET A 83 -4.274 -3.438 10.236 1.00 0.00 H new ATOM 0 HE3 MET A 83 -3.278 -3.733 8.791 1.00 0.00 H new ATOM 1255 N TYR A 84 -3.570 -10.363 7.875 1.00 0.00 N ATOM 1256 CA TYR A 84 -3.937 -11.696 7.428 1.00 0.00 C ATOM 1257 C TYR A 84 -3.543 -12.750 8.464 1.00 0.00 C ATOM 1258 O TYR A 84 -4.347 -13.611 8.817 1.00 0.00 O ATOM 1259 CB TYR A 84 -3.146 -11.942 6.141 1.00 0.00 C ATOM 1260 CG TYR A 84 -3.852 -12.862 5.143 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -4.841 -12.360 4.322 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -3.499 -14.194 5.064 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -5.505 -13.226 3.382 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -4.163 -15.060 4.125 1.00 0.00 C ATOM 1265 CZ TYR A 84 -5.133 -14.533 3.330 1.00 0.00 C ATOM 1266 OH TYR A 84 -5.761 -15.351 2.443 1.00 0.00 O ATOM 0 H TYR A 84 -3.181 -9.761 7.149 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.014 -11.767 7.277 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.948 -10.984 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.179 -12.375 6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.117 -11.318 4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.725 -14.587 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.280 -12.846 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.897 -16.104 4.053 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.393 -16.256 2.515 1.00 0.00 H new ATOM 1276 N ARG A 85 -2.304 -12.647 8.923 1.00 0.00 N ATOM 1277 CA ARG A 85 -1.793 -13.581 9.913 1.00 0.00 C ATOM 1278 C ARG A 85 -1.519 -12.858 11.233 1.00 0.00 C ATOM 1279 O ARG A 85 -0.875 -11.810 11.249 1.00 0.00 O ATOM 1280 CB ARG A 85 -0.504 -14.247 9.427 1.00 0.00 C ATOM 1281 CG ARG A 85 -0.512 -15.746 9.733 1.00 0.00 C ATOM 1282 CD ARG A 85 0.148 -16.034 11.083 1.00 0.00 C ATOM 1283 NE ARG A 85 -0.550 -17.150 11.760 1.00 0.00 N ATOM 1284 CZ ARG A 85 -0.415 -18.448 11.414 1.00 0.00 C ATOM 1285 NH1 ARG A 85 0.393 -18.805 10.394 1.00 0.00 N ATOM 1286 NH2 ARG A 85 -1.087 -19.362 12.088 1.00 0.00 N ATOM 0 H ARG A 85 -1.639 -11.932 8.628 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.551 -14.350 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.393 -14.092 8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.355 -13.779 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.538 -16.114 9.740 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.014 -16.284 8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.198 -16.286 10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.118 -15.142 11.709 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.172 -16.924 12.536 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.908 -18.092 9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.489 -19.788 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.697 -19.083 12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.997 -20.347 11.840 1.00 0.00 H new ATOM 1300 N GLU A 86 -2.022 -13.446 12.308 1.00 0.00 N ATOM 1301 CA GLU A 86 -1.840 -12.871 13.630 1.00 0.00 C ATOM 1302 C GLU A 86 -0.417 -12.332 13.783 1.00 0.00 C ATOM 1303 O GLU A 86 -0.223 -11.146 14.043 1.00 0.00 O ATOM 1304 CB GLU A 86 -2.159 -13.895 14.722 1.00 0.00 C ATOM 1305 CG GLU A 86 -3.562 -13.671 15.290 1.00 0.00 C ATOM 1306 CD GLU A 86 -3.972 -14.824 16.209 1.00 0.00 C ATOM 1307 OE1 GLU A 86 -3.543 -15.968 15.997 1.00 0.00 O ATOM 1308 OE2 GLU A 86 -4.764 -14.497 17.173 1.00 0.00 O ATOM 0 H GLU A 86 -2.556 -14.315 12.291 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.536 -12.040 13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.085 -14.903 14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.423 -13.820 15.522 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.588 -12.733 15.844 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.278 -13.579 14.474 1.00 0.00 H new ATOM 1315 N PHE A 87 0.543 -13.231 13.615 1.00 0.00 N ATOM 1316 CA PHE A 87 1.943 -12.860 13.731 1.00 0.00 C ATOM 1317 C PHE A 87 2.792 -13.589 12.688 1.00 0.00 C ATOM 1318 O PHE A 87 2.441 -14.686 12.254 1.00 0.00 O ATOM 1319 CB PHE A 87 2.403 -13.280 15.129 1.00 0.00 C ATOM 1320 CG PHE A 87 2.248 -14.776 15.411 1.00 0.00 C ATOM 1321 CD1 PHE A 87 3.085 -15.670 14.820 1.00 0.00 C ATOM 1322 CD2 PHE A 87 1.273 -15.212 16.253 1.00 0.00 C ATOM 1323 CE1 PHE A 87 2.941 -17.058 15.082 1.00 0.00 C ATOM 1324 CE2 PHE A 87 1.129 -16.600 16.515 1.00 0.00 C ATOM 1325 CZ PHE A 87 1.966 -17.494 15.924 1.00 0.00 C ATOM 0 H PHE A 87 0.378 -14.214 13.400 1.00 0.00 H new ATOM 0 HA PHE A 87 2.058 -11.788 13.569 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.450 -13.004 15.254 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.834 -12.720 15.871 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.859 -15.324 14.151 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.608 -14.502 16.723 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.606 -17.768 14.612 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.355 -16.946 17.184 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.857 -18.550 16.123 1.00 0.00 H new ATOM 1335 N TRP A 88 3.891 -12.951 12.315 1.00 0.00 N ATOM 1336 CA TRP A 88 4.792 -13.525 11.330 1.00 0.00 C ATOM 1337 C TRP A 88 6.178 -13.643 11.969 1.00 0.00 C ATOM 1338 O TRP A 88 7.013 -12.753 11.818 1.00 0.00 O ATOM 1339 CB TRP A 88 4.796 -12.699 10.043 1.00 0.00 C ATOM 1340 CG TRP A 88 4.085 -13.374 8.868 1.00 0.00 C ATOM 1341 CD1 TRP A 88 2.827 -13.186 8.447 1.00 0.00 C ATOM 1342 CD2 TRP A 88 4.646 -14.358 7.974 1.00 0.00 C ATOM 1343 NE1 TRP A 88 2.537 -13.974 7.352 1.00 0.00 N ATOM 1344 CE2 TRP A 88 3.678 -14.709 7.055 1.00 0.00 C ATOM 1345 CE3 TRP A 88 5.929 -14.933 7.943 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 3.891 -15.648 6.038 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 6.126 -15.869 6.920 1.00 0.00 C ATOM 1348 CH2 TRP A 88 5.162 -16.233 5.988 1.00 0.00 C ATOM 0 H TRP A 88 4.178 -12.042 12.677 1.00 0.00 H new ATOM 0 HA TRP A 88 4.458 -14.520 11.036 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.320 -11.738 10.239 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.828 -12.492 9.760 1.00 0.00 H new ATOM 0 HD1 TRP A 88 2.128 -12.503 8.907 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.648 -14.010 6.853 1.00 0.00 H new ATOM 0 HE3 TRP A 88 6.701 -14.673 8.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 3.117 -15.907 5.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.095 -16.341 6.851 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.392 -16.965 5.228 1.00 0.00 H new ATOM 1359 N ALA A 89 6.379 -14.750 12.669 1.00 0.00 N ATOM 1360 CA ALA A 89 7.649 -14.996 13.332 1.00 0.00 C ATOM 1361 C ALA A 89 8.667 -15.493 12.304 1.00 0.00 C ATOM 1362 O ALA A 89 8.455 -16.521 11.662 1.00 0.00 O ATOM 1363 CB ALA A 89 7.443 -15.989 14.477 1.00 0.00 C ATOM 0 H ALA A 89 5.684 -15.487 12.792 1.00 0.00 H new ATOM 0 HA ALA A 89 8.041 -14.076 13.766 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.395 -16.174 14.974 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.733 -15.576 15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.053 -16.926 14.080 1.00 0.00 H new ATOM 1369 N LYS A 90 9.751 -14.742 12.181 1.00 0.00 N ATOM 1370 CA LYS A 90 10.803 -15.093 11.242 1.00 0.00 C ATOM 1371 C LYS A 90 11.683 -16.185 11.854 1.00 0.00 C ATOM 1372 O LYS A 90 11.765 -16.309 13.075 1.00 0.00 O ATOM 1373 CB LYS A 90 11.579 -13.846 10.815 1.00 0.00 C ATOM 1374 CG LYS A 90 12.359 -13.256 11.991 1.00 0.00 C ATOM 1375 CD LYS A 90 11.954 -11.802 12.244 1.00 0.00 C ATOM 1376 CE LYS A 90 12.387 -11.347 13.639 1.00 0.00 C ATOM 1377 NZ LYS A 90 11.382 -10.428 14.219 1.00 0.00 N ATOM 0 H LYS A 90 9.924 -13.891 12.716 1.00 0.00 H new ATOM 0 HA LYS A 90 10.375 -15.502 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.267 -14.100 10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.888 -13.100 10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.177 -13.849 12.887 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.428 -13.309 11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.408 -11.158 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.874 -11.699 12.143 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.513 -12.214 14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.354 -10.848 13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.691 -10.128 15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.281 -9.593 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.467 -10.916 14.292 1.00 0.00 H new ATOM 1391 N PRO A 91 12.335 -16.969 10.955 1.00 0.00 N ATOM 1392 CA PRO A 91 13.206 -18.046 11.394 1.00 0.00 C ATOM 1393 C PRO A 91 14.530 -17.497 11.929 1.00 0.00 C ATOM 1394 O PRO A 91 15.284 -16.861 11.195 1.00 0.00 O ATOM 1395 CB PRO A 91 13.381 -18.934 10.173 1.00 0.00 C ATOM 1396 CG PRO A 91 12.987 -18.081 8.978 1.00 0.00 C ATOM 1397 CD PRO A 91 12.262 -16.851 9.502 1.00 0.00 C ATOM 0 HA PRO A 91 12.787 -18.613 12.225 1.00 0.00 H new ATOM 0 HB2 PRO A 91 14.412 -19.278 10.085 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.753 -19.822 10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.870 -17.790 8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.344 -18.644 8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 91 12.737 -15.933 9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.228 -16.824 9.158 1.00 0.00 H new ATOM 1405 N LYS A 92 14.773 -17.764 13.204 1.00 0.00 N ATOM 1406 CA LYS A 92 15.993 -17.305 13.846 1.00 0.00 C ATOM 1407 C LYS A 92 17.132 -18.273 13.519 1.00 0.00 C ATOM 1408 O LYS A 92 17.105 -19.431 13.933 1.00 0.00 O ATOM 1409 CB LYS A 92 15.767 -17.105 15.346 1.00 0.00 C ATOM 1410 CG LYS A 92 16.392 -15.793 15.824 1.00 0.00 C ATOM 1411 CD LYS A 92 17.087 -15.977 17.175 1.00 0.00 C ATOM 1412 CE LYS A 92 18.605 -16.053 17.004 1.00 0.00 C ATOM 1413 NZ LYS A 92 19.285 -15.786 18.291 1.00 0.00 N ATOM 0 H LYS A 92 14.145 -18.293 13.810 1.00 0.00 H new ATOM 0 HA LYS A 92 16.283 -16.329 13.458 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.698 -17.102 15.559 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.199 -17.940 15.897 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.112 -15.439 15.086 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.620 -15.028 15.909 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.833 -15.147 17.835 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.725 -16.887 17.653 1.00 0.00 H new ATOM 0 HE2 LYS A 92 18.886 -17.039 16.635 1.00 0.00 H new ATOM 0 HE3 LYS A 92 18.930 -15.328 16.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.315 -15.841 18.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.030 -14.836 18.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.988 -16.493 18.994 1.00 0.00 H new ATOM 1427 N PRO A 93 18.131 -17.750 12.759 1.00 0.00 N ATOM 1428 CA PRO A 93 19.277 -18.555 12.371 1.00 0.00 C ATOM 1429 C PRO A 93 20.231 -18.754 13.551 1.00 0.00 C ATOM 1430 O PRO A 93 19.942 -19.525 14.464 1.00 0.00 O ATOM 1431 CB PRO A 93 19.912 -17.804 11.213 1.00 0.00 C ATOM 1432 CG PRO A 93 19.379 -16.382 11.296 1.00 0.00 C ATOM 1433 CD PRO A 93 18.196 -16.383 12.250 1.00 0.00 C ATOM 0 HA PRO A 93 18.999 -19.564 12.068 1.00 0.00 H new ATOM 0 HB2 PRO A 93 20.999 -17.819 11.287 1.00 0.00 H new ATOM 0 HB3 PRO A 93 19.652 -18.264 10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 93 20.155 -15.704 11.651 1.00 0.00 H new ATOM 0 HG3 PRO A 93 19.074 -16.030 10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 93 18.339 -15.666 13.058 1.00 0.00 H new ATOM 0 HD3 PRO A 93 17.274 -16.107 11.738 1.00 0.00 H new TER 1441 PRO A 93