USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 117:sc= 0.53! USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 178:sc= 0 (180deg=-0.00489) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 144:sc= -3.6! (180deg=-5.91!) USER MOD Single : A 10 HIS : no HE2:sc= -3.31! C(o=-3.3!,f=-9.2!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 79:sc= 0.0129 USER MOD Single : A 22 SER OG : rot -49:sc= 0.365 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -9.7! C(o=-9.7!,f=-4.7!) USER MOD Single : A 29 THR OG1 : rot 70:sc= 0.496! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.06! C(o=-4.1!,f=-10!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -2.71! C(o=-2.7!,f=-2.5!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.205 K(o=0.2,f=-1.7) USER MOD Single : A 56 ASN : amide:sc=-0.00486 K(o=-0.0049,f=-1.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.422 9.181 6.758 1.00 0.00 N ATOM 2 CA ALA A 1 -6.450 9.760 5.789 1.00 0.00 C ATOM 3 C ALA A 1 -5.183 8.902 5.765 1.00 0.00 C ATOM 4 O ALA A 1 -4.079 9.407 5.801 1.00 0.00 O ATOM 5 CB ALA A 1 -6.092 11.185 6.215 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.270 9.782 6.800 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.691 8.224 6.451 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.985 9.132 7.701 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.896 9.779 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.381 11.609 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.994 11.797 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.646 11.166 7.209 1.00 0.00 H new ATOM 13 N ARG A 2 -5.332 7.607 5.706 1.00 0.00 N ATOM 14 CA ARG A 2 -4.137 6.719 5.679 1.00 0.00 C ATOM 15 C ARG A 2 -4.359 5.593 4.664 1.00 0.00 C ATOM 16 O ARG A 2 -5.454 5.393 4.176 1.00 0.00 O ATOM 17 CB ARG A 2 -3.921 6.116 7.070 1.00 0.00 C ATOM 18 CG ARG A 2 -5.087 5.184 7.408 1.00 0.00 C ATOM 19 CD ARG A 2 -5.009 4.781 8.882 1.00 0.00 C ATOM 20 NE ARG A 2 -6.070 3.779 9.178 1.00 0.00 N ATOM 21 CZ ARG A 2 -5.926 2.951 10.177 1.00 0.00 C ATOM 22 NH1 ARG A 2 -4.851 3.001 10.915 1.00 0.00 N ATOM 23 NH2 ARG A 2 -6.856 2.073 10.435 1.00 0.00 N ATOM 0 H ARG A 2 -6.231 7.126 5.675 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.260 7.298 5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.981 5.565 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.847 6.909 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.035 5.683 7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.052 4.297 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.027 4.364 9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.134 5.658 9.517 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.910 3.740 8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.124 3.687 10.711 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.738 2.354 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.695 2.034 9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.744 1.426 11.215 1.00 0.00 H new ATOM 37 N ASP A 3 -3.334 4.847 4.352 1.00 0.00 N ATOM 38 CA ASP A 3 -3.496 3.726 3.381 1.00 0.00 C ATOM 39 C ASP A 3 -3.768 2.444 4.165 1.00 0.00 C ATOM 40 O ASP A 3 -3.226 2.241 5.234 1.00 0.00 O ATOM 41 CB ASP A 3 -2.216 3.563 2.559 1.00 0.00 C ATOM 42 CG ASP A 3 -1.999 4.807 1.697 1.00 0.00 C ATOM 43 OD1 ASP A 3 -2.935 5.578 1.556 1.00 0.00 O ATOM 44 OD2 ASP A 3 -0.902 4.968 1.189 1.00 0.00 O ATOM 0 H ASP A 3 -2.393 4.965 4.727 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.324 3.936 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.363 3.413 3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.288 2.678 1.927 1.00 0.00 H new ATOM 49 N ALA A 4 -4.618 1.588 3.660 1.00 0.00 N ATOM 50 CA ALA A 4 -4.941 0.336 4.402 1.00 0.00 C ATOM 51 C ALA A 4 -4.278 -0.880 3.747 1.00 0.00 C ATOM 52 O ALA A 4 -3.224 -1.319 4.159 1.00 0.00 O ATOM 53 CB ALA A 4 -6.458 0.135 4.412 1.00 0.00 C ATOM 0 H ALA A 4 -5.100 1.702 2.769 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.562 0.430 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.700 -0.779 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.934 0.984 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.821 0.057 3.387 1.00 0.00 H new ATOM 59 N TYR A 5 -4.898 -1.447 2.751 1.00 0.00 N ATOM 60 CA TYR A 5 -4.307 -2.655 2.107 1.00 0.00 C ATOM 61 C TYR A 5 -3.565 -2.268 0.829 1.00 0.00 C ATOM 62 O TYR A 5 -2.742 -3.015 0.333 1.00 0.00 O ATOM 63 CB TYR A 5 -5.428 -3.631 1.752 1.00 0.00 C ATOM 64 CG TYR A 5 -6.443 -3.654 2.867 1.00 0.00 C ATOM 65 CD1 TYR A 5 -6.174 -4.355 4.048 1.00 0.00 C ATOM 66 CD2 TYR A 5 -7.656 -2.970 2.718 1.00 0.00 C ATOM 67 CE1 TYR A 5 -7.118 -4.373 5.081 1.00 0.00 C ATOM 68 CE2 TYR A 5 -8.600 -2.988 3.751 1.00 0.00 C ATOM 69 CZ TYR A 5 -8.331 -3.690 4.933 1.00 0.00 C ATOM 70 OH TYR A 5 -9.262 -3.708 5.952 1.00 0.00 O ATOM 0 H TYR A 5 -5.783 -1.130 2.356 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.605 -3.118 2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.904 -3.332 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -5.020 -4.630 1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.238 -4.882 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.863 -2.429 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.911 -4.914 5.993 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.536 -2.461 3.637 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.047 -3.184 5.687 1.00 0.00 H new ATOM 80 N ILE A 6 -3.853 -1.119 0.284 1.00 0.00 N ATOM 81 CA ILE A 6 -3.173 -0.700 -0.971 1.00 0.00 C ATOM 82 C ILE A 6 -2.146 0.391 -0.674 1.00 0.00 C ATOM 83 O ILE A 6 -2.425 1.350 0.018 1.00 0.00 O ATOM 84 CB ILE A 6 -4.212 -0.162 -1.951 1.00 0.00 C ATOM 85 CG1 ILE A 6 -5.284 -1.226 -2.192 1.00 0.00 C ATOM 86 CG2 ILE A 6 -3.536 0.183 -3.277 1.00 0.00 C ATOM 87 CD1 ILE A 6 -6.359 -0.658 -3.116 1.00 0.00 C ATOM 0 H ILE A 6 -4.530 -0.452 0.654 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.663 -1.560 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.672 0.734 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.837 -2.115 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.727 -1.533 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.280 0.567 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.771 0.941 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.075 -0.712 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.125 -1.413 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.812 0.218 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.908 -0.372 -4.066 1.00 0.00 H new ATOM 99 N ALA A 7 -0.961 0.248 -1.202 1.00 0.00 N ATOM 100 CA ALA A 7 0.097 1.266 -0.970 1.00 0.00 C ATOM 101 C ALA A 7 0.526 1.856 -2.314 1.00 0.00 C ATOM 102 O ALA A 7 1.575 2.457 -2.435 1.00 0.00 O ATOM 103 CB ALA A 7 1.296 0.603 -0.296 1.00 0.00 C ATOM 0 H ALA A 7 -0.681 -0.538 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.286 2.059 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.074 1.347 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.987 0.175 0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.684 -0.187 -0.939 1.00 0.00 H new ATOM 109 N LYS A 8 -0.283 1.681 -3.325 1.00 0.00 N ATOM 110 CA LYS A 8 0.059 2.219 -4.670 1.00 0.00 C ATOM 111 C LYS A 8 -1.078 3.127 -5.149 1.00 0.00 C ATOM 112 O LYS A 8 -2.209 2.985 -4.730 1.00 0.00 O ATOM 113 CB LYS A 8 0.235 1.061 -5.660 1.00 0.00 C ATOM 114 CG LYS A 8 0.341 -0.273 -4.910 1.00 0.00 C ATOM 115 CD LYS A 8 1.622 -0.293 -4.075 1.00 0.00 C ATOM 116 CE LYS A 8 2.599 -1.311 -4.668 1.00 0.00 C ATOM 117 NZ LYS A 8 3.787 -1.438 -3.779 1.00 0.00 N ATOM 0 H LYS A 8 -1.172 1.184 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 8 0.988 2.786 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.609 1.032 -6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.131 1.220 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.527 -0.409 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.344 -1.101 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.076 0.698 -4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.392 -0.552 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.109 -2.279 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.909 -0.995 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.114 -2.425 -3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.549 -0.823 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.529 -1.155 -2.812 1.00 0.00 H new ATOM 131 N PRO A 9 -0.782 4.053 -6.025 1.00 0.00 N ATOM 132 CA PRO A 9 -1.802 4.996 -6.570 1.00 0.00 C ATOM 133 C PRO A 9 -2.895 4.274 -7.362 1.00 0.00 C ATOM 134 O PRO A 9 -4.050 4.650 -7.329 1.00 0.00 O ATOM 135 CB PRO A 9 -1.005 5.930 -7.487 1.00 0.00 C ATOM 136 CG PRO A 9 0.277 5.220 -7.780 1.00 0.00 C ATOM 137 CD PRO A 9 0.551 4.300 -6.592 1.00 0.00 C ATOM 0 HA PRO A 9 -2.323 5.522 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.555 6.139 -8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.819 6.888 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.199 4.647 -8.704 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.092 5.932 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.030 3.373 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.214 4.771 -5.866 1.00 0.00 H new ATOM 145 N HIS A 10 -2.543 3.236 -8.071 1.00 0.00 N ATOM 146 CA HIS A 10 -3.561 2.491 -8.860 1.00 0.00 C ATOM 147 C HIS A 10 -3.261 0.993 -8.793 1.00 0.00 C ATOM 148 O HIS A 10 -3.998 0.177 -9.308 1.00 0.00 O ATOM 149 CB HIS A 10 -3.522 2.955 -10.317 1.00 0.00 C ATOM 150 CG HIS A 10 -3.844 4.424 -10.384 1.00 0.00 C ATOM 151 ND1 HIS A 10 -2.857 5.400 -10.354 1.00 0.00 N ATOM 152 CD2 HIS A 10 -5.037 5.098 -10.479 1.00 0.00 C ATOM 153 CE1 HIS A 10 -3.468 6.596 -10.431 1.00 0.00 C ATOM 154 NE2 HIS A 10 -4.794 6.466 -10.508 1.00 0.00 N ATOM 0 H HIS A 10 -1.592 2.872 -8.137 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.551 2.683 -8.446 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.536 2.768 -10.743 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.239 2.387 -10.910 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -1.852 5.239 -10.286 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.012 4.637 -10.524 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.950 7.544 -10.431 1.00 0.00 H new ATOM 163 N ASN A 11 -2.177 0.628 -8.163 1.00 0.00 N ATOM 164 CA ASN A 11 -1.815 -0.813 -8.060 1.00 0.00 C ATOM 165 C ASN A 11 -2.002 -1.283 -6.615 1.00 0.00 C ATOM 166 O ASN A 11 -2.266 -0.496 -5.729 1.00 0.00 O ATOM 167 CB ASN A 11 -0.356 -1.002 -8.477 1.00 0.00 C ATOM 168 CG ASN A 11 -0.166 -0.489 -9.906 1.00 0.00 C ATOM 169 OD1 ASN A 11 -0.547 -1.146 -10.855 1.00 0.00 O ATOM 170 ND2 ASN A 11 0.406 0.668 -10.099 1.00 0.00 N ATOM 0 H ASN A 11 -1.524 1.270 -7.713 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.458 -1.399 -8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.302 -0.463 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.083 -2.056 -8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.534 1.022 -11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.725 1.218 -9.302 1.00 0.00 H new ATOM 177 N CYS A 12 -1.876 -2.562 -6.377 1.00 0.00 N ATOM 178 CA CYS A 12 -2.053 -3.093 -4.995 1.00 0.00 C ATOM 179 C CYS A 12 -0.784 -3.830 -4.561 1.00 0.00 C ATOM 180 O CYS A 12 0.156 -3.967 -5.318 1.00 0.00 O ATOM 181 CB CYS A 12 -3.230 -4.067 -4.975 1.00 0.00 C ATOM 182 SG CYS A 12 -4.587 -3.390 -5.961 1.00 0.00 S ATOM 0 H CYS A 12 -1.657 -3.264 -7.084 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.246 -2.266 -4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.923 -5.034 -5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.560 -4.235 -3.950 1.00 0.00 H new ATOM 187 N VAL A 13 -0.756 -4.310 -3.348 1.00 0.00 N ATOM 188 CA VAL A 13 0.444 -5.047 -2.863 1.00 0.00 C ATOM 189 C VAL A 13 0.165 -6.549 -2.924 1.00 0.00 C ATOM 190 O VAL A 13 -0.911 -7.003 -2.587 1.00 0.00 O ATOM 191 CB VAL A 13 0.746 -4.639 -1.419 1.00 0.00 C ATOM 192 CG1 VAL A 13 2.024 -5.336 -0.947 1.00 0.00 C ATOM 193 CG2 VAL A 13 0.939 -3.123 -1.350 1.00 0.00 C ATOM 0 H VAL A 13 -1.514 -4.223 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 13 1.302 -4.807 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.085 -4.932 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.239 -5.045 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.889 -6.416 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.856 -5.044 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.154 -2.830 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.771 -2.833 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.030 -2.625 -1.686 1.00 0.00 H new ATOM 203 N TYR A 14 1.119 -7.324 -3.361 1.00 0.00 N ATOM 204 CA TYR A 14 0.897 -8.795 -3.452 1.00 0.00 C ATOM 205 C TYR A 14 1.340 -9.458 -2.149 1.00 0.00 C ATOM 206 O TYR A 14 0.556 -10.072 -1.454 1.00 0.00 O ATOM 207 CB TYR A 14 1.715 -9.363 -4.613 1.00 0.00 C ATOM 208 CG TYR A 14 2.302 -8.228 -5.417 1.00 0.00 C ATOM 209 CD1 TYR A 14 1.476 -7.448 -6.235 1.00 0.00 C ATOM 210 CD2 TYR A 14 3.674 -7.956 -5.344 1.00 0.00 C ATOM 211 CE1 TYR A 14 2.022 -6.396 -6.980 1.00 0.00 C ATOM 212 CE2 TYR A 14 4.219 -6.903 -6.089 1.00 0.00 C ATOM 213 CZ TYR A 14 3.393 -6.123 -6.906 1.00 0.00 C ATOM 214 OH TYR A 14 3.931 -5.086 -7.641 1.00 0.00 O ATOM 0 H TYR A 14 2.041 -7.004 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.162 -8.992 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.511 -10.003 -4.232 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.083 -9.984 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.418 -7.658 -6.291 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.311 -8.558 -4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.385 -5.795 -7.612 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.277 -6.693 -6.033 1.00 0.00 H new ATOM 0 HH TYR A 14 4.895 -5.032 -7.474 1.00 0.00 H new ATOM 224 N GLU A 15 2.592 -9.337 -1.815 1.00 0.00 N ATOM 225 CA GLU A 15 3.093 -9.955 -0.559 1.00 0.00 C ATOM 226 C GLU A 15 4.545 -9.533 -0.338 1.00 0.00 C ATOM 227 O GLU A 15 5.458 -10.094 -0.912 1.00 0.00 O ATOM 228 CB GLU A 15 3.018 -11.480 -0.671 1.00 0.00 C ATOM 229 CG GLU A 15 3.390 -12.110 0.672 1.00 0.00 C ATOM 230 CD GLU A 15 3.414 -13.634 0.532 1.00 0.00 C ATOM 231 OE1 GLU A 15 3.173 -14.112 -0.565 1.00 0.00 O ATOM 232 OE2 GLU A 15 3.672 -14.296 1.523 1.00 0.00 O ATOM 0 H GLU A 15 3.293 -8.835 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 15 2.481 -9.625 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.013 -11.785 -0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.695 -11.832 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.366 -11.749 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.670 -11.816 1.436 1.00 0.00 H new ATOM 239 N CYS A 16 4.768 -8.549 0.487 1.00 0.00 N ATOM 240 CA CYS A 16 6.163 -8.098 0.736 1.00 0.00 C ATOM 241 C CYS A 16 7.023 -9.315 1.083 1.00 0.00 C ATOM 242 O CYS A 16 6.963 -9.843 2.177 1.00 0.00 O ATOM 243 CB CYS A 16 6.171 -7.098 1.893 1.00 0.00 C ATOM 244 SG CYS A 16 5.589 -7.910 3.403 1.00 0.00 S ATOM 0 H CYS A 16 4.047 -8.040 0.998 1.00 0.00 H new ATOM 0 HA CYS A 16 6.567 -7.613 -0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.178 -6.708 2.043 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.532 -6.247 1.656 1.00 0.00 H new ATOM 249 N PHE A 17 7.811 -9.772 0.149 1.00 0.00 N ATOM 250 CA PHE A 17 8.667 -10.965 0.402 1.00 0.00 C ATOM 251 C PHE A 17 9.617 -10.690 1.566 1.00 0.00 C ATOM 252 O PHE A 17 9.861 -11.545 2.394 1.00 0.00 O ATOM 253 CB PHE A 17 9.477 -11.281 -0.858 1.00 0.00 C ATOM 254 CG PHE A 17 10.600 -10.282 -1.005 1.00 0.00 C ATOM 255 CD1 PHE A 17 10.346 -9.013 -1.539 1.00 0.00 C ATOM 256 CD2 PHE A 17 11.898 -10.626 -0.607 1.00 0.00 C ATOM 257 CE1 PHE A 17 11.389 -8.090 -1.676 1.00 0.00 C ATOM 258 CE2 PHE A 17 12.940 -9.702 -0.744 1.00 0.00 C ATOM 259 CZ PHE A 17 12.686 -8.433 -1.278 1.00 0.00 C ATOM 0 H PHE A 17 7.899 -9.368 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 17 8.034 -11.815 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.882 -12.291 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.831 -11.248 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.345 -8.746 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 17 12.095 -11.604 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.193 -7.112 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.941 -9.968 -0.438 1.00 0.00 H new ATOM 0 HZ PHE A 17 13.490 -7.720 -1.383 1.00 0.00 H new ATOM 269 N ASP A 18 10.154 -9.507 1.639 1.00 0.00 N ATOM 270 CA ASP A 18 11.085 -9.185 2.753 1.00 0.00 C ATOM 271 C ASP A 18 10.880 -7.734 3.186 1.00 0.00 C ATOM 272 O ASP A 18 11.494 -6.827 2.662 1.00 0.00 O ATOM 273 CB ASP A 18 12.529 -9.377 2.289 1.00 0.00 C ATOM 274 CG ASP A 18 13.473 -9.239 3.485 1.00 0.00 C ATOM 275 OD1 ASP A 18 12.979 -9.121 4.594 1.00 0.00 O ATOM 276 OD2 ASP A 18 14.674 -9.253 3.271 1.00 0.00 O ATOM 0 H ASP A 18 9.989 -8.749 0.976 1.00 0.00 H new ATOM 0 HA ASP A 18 10.884 -9.849 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.647 -10.359 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.779 -8.638 1.528 1.00 0.00 H new ATOM 281 N ALA A 19 10.024 -7.507 4.143 1.00 0.00 N ATOM 282 CA ALA A 19 9.790 -6.114 4.609 1.00 0.00 C ATOM 283 C ALA A 19 11.089 -5.558 5.191 1.00 0.00 C ATOM 284 O ALA A 19 11.309 -4.363 5.216 1.00 0.00 O ATOM 285 CB ALA A 19 8.698 -6.109 5.681 1.00 0.00 C ATOM 0 H ALA A 19 9.478 -8.224 4.621 1.00 0.00 H new ATOM 0 HA ALA A 19 9.470 -5.493 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.527 -5.088 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.775 -6.511 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.012 -6.725 6.524 1.00 0.00 H new ATOM 291 N PHE A 20 11.957 -6.418 5.652 1.00 0.00 N ATOM 292 CA PHE A 20 13.248 -5.940 6.222 1.00 0.00 C ATOM 293 C PHE A 20 13.938 -5.043 5.195 1.00 0.00 C ATOM 294 O PHE A 20 14.534 -4.038 5.532 1.00 0.00 O ATOM 295 CB PHE A 20 14.143 -7.139 6.541 1.00 0.00 C ATOM 296 CG PHE A 20 15.396 -6.660 7.234 1.00 0.00 C ATOM 297 CD1 PHE A 20 15.393 -6.448 8.618 1.00 0.00 C ATOM 298 CD2 PHE A 20 16.561 -6.428 6.493 1.00 0.00 C ATOM 299 CE1 PHE A 20 16.554 -6.004 9.261 1.00 0.00 C ATOM 300 CE2 PHE A 20 17.723 -5.984 7.136 1.00 0.00 C ATOM 301 CZ PHE A 20 17.720 -5.771 8.520 1.00 0.00 C ATOM 0 H PHE A 20 11.827 -7.430 5.658 1.00 0.00 H new ATOM 0 HA PHE A 20 13.064 -5.379 7.138 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.610 -7.846 7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.401 -7.668 5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.494 -6.627 9.190 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.563 -6.591 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.551 -5.841 10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.622 -5.806 6.564 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.616 -5.427 9.016 1.00 0.00 H new ATOM 311 N SER A 21 13.852 -5.393 3.941 1.00 0.00 N ATOM 312 CA SER A 21 14.490 -4.557 2.888 1.00 0.00 C ATOM 313 C SER A 21 13.607 -3.336 2.635 1.00 0.00 C ATOM 314 O SER A 21 13.836 -2.563 1.724 1.00 0.00 O ATOM 315 CB SER A 21 14.626 -5.369 1.600 1.00 0.00 C ATOM 316 OG SER A 21 15.526 -6.448 1.819 1.00 0.00 O ATOM 0 H SER A 21 13.367 -6.223 3.601 1.00 0.00 H new ATOM 0 HA SER A 21 15.481 -4.240 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.652 -5.749 1.291 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.991 -4.734 0.793 1.00 0.00 H new ATOM 0 HG SER A 21 15.064 -7.168 2.297 1.00 0.00 H new ATOM 322 N SER A 22 12.598 -3.159 3.444 1.00 0.00 N ATOM 323 CA SER A 22 11.689 -1.993 3.273 1.00 0.00 C ATOM 324 C SER A 22 11.017 -2.049 1.900 1.00 0.00 C ATOM 325 O SER A 22 10.786 -1.033 1.274 1.00 0.00 O ATOM 326 CB SER A 22 12.493 -0.698 3.392 1.00 0.00 C ATOM 327 OG SER A 22 13.109 -0.412 2.143 1.00 0.00 O ATOM 0 H SER A 22 12.364 -3.777 4.221 1.00 0.00 H new ATOM 0 HA SER A 22 10.923 -2.023 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.840 0.124 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.250 -0.796 4.170 1.00 0.00 H new ATOM 0 HG SER A 22 13.569 -1.213 1.814 1.00 0.00 H new ATOM 333 N TYR A 23 10.687 -3.221 1.425 1.00 0.00 N ATOM 334 CA TYR A 23 10.018 -3.309 0.096 1.00 0.00 C ATOM 335 C TYR A 23 8.683 -2.569 0.165 1.00 0.00 C ATOM 336 O TYR A 23 8.417 -1.666 -0.605 1.00 0.00 O ATOM 337 CB TYR A 23 9.767 -4.775 -0.258 1.00 0.00 C ATOM 338 CG TYR A 23 9.131 -4.856 -1.624 1.00 0.00 C ATOM 339 CD1 TYR A 23 9.934 -4.918 -2.768 1.00 0.00 C ATOM 340 CD2 TYR A 23 7.737 -4.866 -1.743 1.00 0.00 C ATOM 341 CE1 TYR A 23 9.341 -4.992 -4.034 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.144 -4.941 -3.010 1.00 0.00 C ATOM 343 CZ TYR A 23 7.947 -5.004 -4.155 1.00 0.00 C ATOM 344 OH TYR A 23 7.364 -5.076 -5.404 1.00 0.00 O ATOM 0 H TYR A 23 10.850 -4.112 1.895 1.00 0.00 H new ATOM 0 HA TYR A 23 10.655 -2.860 -0.666 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.705 -5.329 -0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.117 -5.235 0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.010 -4.909 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.119 -4.816 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.960 -5.040 -4.918 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.068 -4.950 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 23 6.389 -5.076 -5.310 1.00 0.00 H new ATOM 354 N CYS A 24 7.850 -2.933 1.100 1.00 0.00 N ATOM 355 CA CYS A 24 6.539 -2.242 1.241 1.00 0.00 C ATOM 356 C CYS A 24 6.784 -0.830 1.763 1.00 0.00 C ATOM 357 O CYS A 24 6.330 0.146 1.198 1.00 0.00 O ATOM 358 CB CYS A 24 5.659 -3.007 2.231 1.00 0.00 C ATOM 359 SG CYS A 24 4.099 -2.117 2.464 1.00 0.00 S ATOM 0 H CYS A 24 8.021 -3.680 1.773 1.00 0.00 H new ATOM 0 HA CYS A 24 6.036 -2.200 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.464 -4.013 1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.175 -3.114 3.185 1.00 0.00 H new ATOM 364 N ASN A 25 7.509 -0.719 2.840 1.00 0.00 N ATOM 365 CA ASN A 25 7.799 0.623 3.409 1.00 0.00 C ATOM 366 C ASN A 25 8.508 1.461 2.350 1.00 0.00 C ATOM 367 O ASN A 25 8.292 2.651 2.233 1.00 0.00 O ATOM 368 CB ASN A 25 8.705 0.471 4.631 1.00 0.00 C ATOM 369 CG ASN A 25 8.026 -0.438 5.655 1.00 0.00 C ATOM 370 OD1 ASN A 25 8.485 -0.564 6.773 1.00 0.00 O ATOM 371 ND2 ASN A 25 6.949 -1.093 5.314 1.00 0.00 N ATOM 0 H ASN A 25 7.914 -1.503 3.351 1.00 0.00 H new ATOM 0 HA ASN A 25 6.871 1.110 3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.666 0.050 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.907 1.447 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.493 -1.710 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.564 -0.987 4.376 1.00 0.00 H new ATOM 378 N GLY A 26 9.352 0.843 1.573 1.00 0.00 N ATOM 379 CA GLY A 26 10.077 1.596 0.514 1.00 0.00 C ATOM 380 C GLY A 26 9.064 2.205 -0.455 1.00 0.00 C ATOM 381 O GLY A 26 9.189 3.343 -0.860 1.00 0.00 O ATOM 0 H GLY A 26 9.571 -0.152 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.686 2.381 0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.756 0.932 -0.021 1.00 0.00 H new ATOM 385 N VAL A 27 8.058 1.460 -0.828 1.00 0.00 N ATOM 386 CA VAL A 27 7.043 2.012 -1.770 1.00 0.00 C ATOM 387 C VAL A 27 6.368 3.227 -1.138 1.00 0.00 C ATOM 388 O VAL A 27 6.223 4.261 -1.758 1.00 0.00 O ATOM 389 CB VAL A 27 5.990 0.945 -2.071 1.00 0.00 C ATOM 390 CG1 VAL A 27 4.836 1.578 -2.849 1.00 0.00 C ATOM 391 CG2 VAL A 27 6.620 -0.169 -2.910 1.00 0.00 C ATOM 0 H VAL A 27 7.896 0.500 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 27 7.534 2.309 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 27 5.615 0.528 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.084 0.820 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.389 2.374 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.212 1.993 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.870 -0.930 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.994 0.247 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.445 -0.618 -2.357 1.00 0.00 H new ATOM 401 N CYS A 28 5.960 3.116 0.096 1.00 0.00 N ATOM 402 CA CYS A 28 5.302 4.274 0.765 1.00 0.00 C ATOM 403 C CYS A 28 6.342 5.365 1.024 1.00 0.00 C ATOM 404 O CYS A 28 6.045 6.543 0.978 1.00 0.00 O ATOM 405 CB CYS A 28 4.676 3.822 2.089 1.00 0.00 C ATOM 406 SG CYS A 28 2.997 3.218 1.779 1.00 0.00 S ATOM 0 H CYS A 28 6.053 2.277 0.669 1.00 0.00 H new ATOM 0 HA CYS A 28 4.516 4.669 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.280 3.036 2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.652 4.652 2.796 1.00 0.00 H new ATOM 411 N THR A 29 7.562 4.985 1.292 1.00 0.00 N ATOM 412 CA THR A 29 8.620 6.003 1.550 1.00 0.00 C ATOM 413 C THR A 29 8.727 6.941 0.348 1.00 0.00 C ATOM 414 O THR A 29 8.701 8.149 0.482 1.00 0.00 O ATOM 415 CB THR A 29 9.961 5.294 1.750 1.00 0.00 C ATOM 416 OG1 THR A 29 9.829 4.312 2.769 1.00 0.00 O ATOM 417 CG2 THR A 29 11.025 6.316 2.159 1.00 0.00 C ATOM 0 H THR A 29 7.871 4.014 1.343 1.00 0.00 H new ATOM 0 HA THR A 29 8.365 6.576 2.442 1.00 0.00 H new ATOM 0 HB THR A 29 10.260 4.814 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.270 3.576 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.980 5.810 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.126 7.069 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.728 6.798 3.090 1.00 0.00 H new ATOM 425 N LYS A 30 8.842 6.391 -0.826 1.00 0.00 N ATOM 426 CA LYS A 30 8.944 7.238 -2.046 1.00 0.00 C ATOM 427 C LYS A 30 7.632 7.998 -2.246 1.00 0.00 C ATOM 428 O LYS A 30 7.619 9.146 -2.641 1.00 0.00 O ATOM 429 CB LYS A 30 9.223 6.343 -3.252 1.00 0.00 C ATOM 430 CG LYS A 30 10.671 5.850 -3.180 1.00 0.00 C ATOM 431 CD LYS A 30 10.731 4.372 -3.565 1.00 0.00 C ATOM 432 CE LYS A 30 12.147 4.024 -4.030 1.00 0.00 C ATOM 433 NZ LYS A 30 12.525 2.680 -3.508 1.00 0.00 N ATOM 0 H LYS A 30 8.870 5.385 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 30 9.756 7.957 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.537 5.496 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.058 6.895 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.299 6.436 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.063 5.990 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.454 3.752 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.014 4.162 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.195 4.030 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.853 4.775 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.487 2.443 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.494 2.690 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.858 1.968 -3.867 1.00 0.00 H new ATOM 447 N ASN A 31 6.530 7.362 -1.964 1.00 0.00 N ATOM 448 CA ASN A 31 5.214 8.041 -2.121 1.00 0.00 C ATOM 449 C ASN A 31 5.190 9.286 -1.236 1.00 0.00 C ATOM 450 O ASN A 31 4.468 10.230 -1.491 1.00 0.00 O ATOM 451 CB ASN A 31 4.094 7.089 -1.697 1.00 0.00 C ATOM 452 CG ASN A 31 4.109 5.850 -2.593 1.00 0.00 C ATOM 453 OD1 ASN A 31 3.991 4.739 -2.116 1.00 0.00 O ATOM 454 ND2 ASN A 31 4.253 5.994 -3.882 1.00 0.00 N ATOM 0 H ASN A 31 6.484 6.399 -1.631 1.00 0.00 H new ATOM 0 HA ASN A 31 5.067 8.326 -3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.225 6.798 -0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.129 7.591 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.266 5.174 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.352 6.927 -4.283 1.00 0.00 H new ATOM 461 N GLY A 32 5.969 9.288 -0.190 1.00 0.00 N ATOM 462 CA GLY A 32 5.993 10.461 0.725 1.00 0.00 C ATOM 463 C GLY A 32 5.224 10.115 2.000 1.00 0.00 C ATOM 464 O GLY A 32 5.071 10.931 2.886 1.00 0.00 O ATOM 0 H GLY A 32 6.592 8.524 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.022 10.729 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.544 11.327 0.238 1.00 0.00 H new ATOM 468 N ALA A 33 4.744 8.906 2.098 1.00 0.00 N ATOM 469 CA ALA A 33 3.990 8.502 3.316 1.00 0.00 C ATOM 470 C ALA A 33 4.925 8.545 4.525 1.00 0.00 C ATOM 471 O ALA A 33 6.102 8.262 4.419 1.00 0.00 O ATOM 472 CB ALA A 33 3.450 7.082 3.138 1.00 0.00 C ATOM 0 H ALA A 33 4.842 8.181 1.387 1.00 0.00 H new ATOM 0 HA ALA A 33 3.157 9.187 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.898 6.788 4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.786 7.051 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.281 6.394 2.982 1.00 0.00 H new ATOM 478 N LYS A 34 4.416 8.900 5.673 1.00 0.00 N ATOM 479 CA LYS A 34 5.288 8.963 6.880 1.00 0.00 C ATOM 480 C LYS A 34 5.904 7.589 7.146 1.00 0.00 C ATOM 481 O LYS A 34 7.102 7.457 7.304 1.00 0.00 O ATOM 482 CB LYS A 34 4.451 9.367 8.094 1.00 0.00 C ATOM 483 CG LYS A 34 5.371 9.593 9.298 1.00 0.00 C ATOM 484 CD LYS A 34 4.723 9.007 10.554 1.00 0.00 C ATOM 485 CE LYS A 34 3.451 9.788 10.886 1.00 0.00 C ATOM 486 NZ LYS A 34 3.571 10.377 12.250 1.00 0.00 N ATOM 0 H LYS A 34 3.439 9.148 5.827 1.00 0.00 H new ATOM 0 HA LYS A 34 6.077 9.695 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.890 10.276 7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.722 8.589 8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.339 9.123 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.554 10.659 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.485 7.955 10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.420 9.054 11.391 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.293 10.577 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.584 9.129 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.706 10.908 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.702 9.616 12.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.389 11.018 12.280 1.00 0.00 H new ATOM 500 N SER A 35 5.098 6.566 7.208 1.00 0.00 N ATOM 501 CA SER A 35 5.648 5.209 7.477 1.00 0.00 C ATOM 502 C SER A 35 4.863 4.157 6.695 1.00 0.00 C ATOM 503 O SER A 35 3.799 4.421 6.170 1.00 0.00 O ATOM 504 CB SER A 35 5.553 4.906 8.973 1.00 0.00 C ATOM 505 OG SER A 35 4.186 4.750 9.333 1.00 0.00 O ATOM 0 H SER A 35 4.086 6.611 7.085 1.00 0.00 H new ATOM 0 HA SER A 35 6.691 5.182 7.162 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.109 3.999 9.208 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.003 5.714 9.549 1.00 0.00 H new ATOM 0 HG SER A 35 4.035 3.838 9.658 1.00 0.00 H new ATOM 511 N GLY A 36 5.381 2.963 6.618 1.00 0.00 N ATOM 512 CA GLY A 36 4.670 1.885 5.877 1.00 0.00 C ATOM 513 C GLY A 36 4.862 0.546 6.592 1.00 0.00 C ATOM 514 O GLY A 36 5.951 0.204 7.005 1.00 0.00 O ATOM 0 H GLY A 36 6.269 2.687 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.608 2.120 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.051 1.821 4.858 1.00 0.00 H new ATOM 518 N TYR A 37 3.808 -0.214 6.741 1.00 0.00 N ATOM 519 CA TYR A 37 3.922 -1.535 7.425 1.00 0.00 C ATOM 520 C TYR A 37 3.300 -2.623 6.546 1.00 0.00 C ATOM 521 O TYR A 37 2.240 -2.441 5.977 1.00 0.00 O ATOM 522 CB TYR A 37 3.186 -1.480 8.764 1.00 0.00 C ATOM 523 CG TYR A 37 3.776 -0.384 9.619 1.00 0.00 C ATOM 524 CD1 TYR A 37 4.950 -0.617 10.345 1.00 0.00 C ATOM 525 CD2 TYR A 37 3.150 0.865 9.684 1.00 0.00 C ATOM 526 CE1 TYR A 37 5.497 0.401 11.136 1.00 0.00 C ATOM 527 CE2 TYR A 37 3.696 1.882 10.476 1.00 0.00 C ATOM 528 CZ TYR A 37 4.871 1.650 11.202 1.00 0.00 C ATOM 529 OH TYR A 37 5.410 2.653 11.983 1.00 0.00 O ATOM 0 H TYR A 37 2.871 0.025 6.417 1.00 0.00 H new ATOM 0 HA TYR A 37 4.974 -1.765 7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.124 -1.296 8.600 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.268 -2.439 9.276 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.434 -1.581 10.295 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.245 1.045 9.123 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.403 0.221 11.696 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.211 2.846 10.527 1.00 0.00 H new ATOM 0 HH TYR A 37 4.852 3.456 11.915 1.00 0.00 H new ATOM 539 N CYS A 38 3.947 -3.752 6.437 1.00 0.00 N ATOM 540 CA CYS A 38 3.392 -4.858 5.602 1.00 0.00 C ATOM 541 C CYS A 38 2.908 -5.988 6.506 1.00 0.00 C ATOM 542 O CYS A 38 3.626 -6.462 7.366 1.00 0.00 O ATOM 543 CB CYS A 38 4.474 -5.390 4.663 1.00 0.00 C ATOM 544 SG CYS A 38 3.895 -6.916 3.879 1.00 0.00 S ATOM 0 H CYS A 38 4.837 -3.957 6.891 1.00 0.00 H new ATOM 0 HA CYS A 38 2.557 -4.477 5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.710 -4.645 3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.392 -5.580 5.219 1.00 0.00 H new ATOM 549 N GLN A 39 1.696 -6.425 6.316 1.00 0.00 N ATOM 550 CA GLN A 39 1.157 -7.527 7.159 1.00 0.00 C ATOM 551 C GLN A 39 0.453 -8.545 6.262 1.00 0.00 C ATOM 552 O GLN A 39 0.265 -8.320 5.083 1.00 0.00 O ATOM 553 CB GLN A 39 0.161 -6.954 8.167 1.00 0.00 C ATOM 554 CG GLN A 39 0.511 -7.445 9.574 1.00 0.00 C ATOM 555 CD GLN A 39 1.702 -6.650 10.113 1.00 0.00 C ATOM 556 OE1 GLN A 39 2.576 -7.202 10.751 1.00 0.00 O ATOM 557 NE2 GLN A 39 1.776 -5.367 9.881 1.00 0.00 N ATOM 0 H GLN A 39 1.053 -6.065 5.611 1.00 0.00 H new ATOM 0 HA GLN A 39 1.971 -8.015 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.183 -5.865 8.136 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.852 -7.260 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.347 -7.327 10.235 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.751 -8.508 9.550 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.043 -4.902 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.567 -4.829 10.235 1.00 0.00 H new ATOM 566 N ILE A 40 0.064 -9.665 6.805 1.00 0.00 N ATOM 567 CA ILE A 40 -0.621 -10.688 5.970 1.00 0.00 C ATOM 568 C ILE A 40 -2.137 -10.571 6.159 1.00 0.00 C ATOM 569 O ILE A 40 -2.624 -10.444 7.265 1.00 0.00 O ATOM 570 CB ILE A 40 -0.144 -12.084 6.385 1.00 0.00 C ATOM 571 CG1 ILE A 40 -0.574 -12.372 7.825 1.00 0.00 C ATOM 572 CG2 ILE A 40 1.381 -12.151 6.289 1.00 0.00 C ATOM 573 CD1 ILE A 40 -0.037 -13.740 8.252 1.00 0.00 C ATOM 0 H ILE A 40 0.190 -9.915 7.786 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.382 -10.526 4.919 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.587 -12.826 5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.196 -11.597 8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.661 -12.356 7.902 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.721 -13.144 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.690 -11.952 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.820 -11.405 6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.342 -13.947 9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.437 -14.510 7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.051 -13.739 8.191 1.00 0.00 H new ATOM 585 N LEU A 41 -2.886 -10.605 5.085 1.00 0.00 N ATOM 586 CA LEU A 41 -4.368 -10.493 5.205 1.00 0.00 C ATOM 587 C LEU A 41 -5.034 -11.617 4.413 1.00 0.00 C ATOM 588 O LEU A 41 -4.792 -11.790 3.235 1.00 0.00 O ATOM 589 CB LEU A 41 -4.833 -9.143 4.657 1.00 0.00 C ATOM 590 CG LEU A 41 -6.295 -8.916 5.042 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.414 -8.764 6.560 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.807 -7.644 4.364 1.00 0.00 C ATOM 0 H LEU A 41 -2.534 -10.705 4.133 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.647 -10.572 6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.211 -8.342 5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.723 -9.121 3.573 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.889 -9.771 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.458 -8.602 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.050 -9.669 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.819 -7.912 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.849 -7.480 4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.209 -6.793 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.728 -7.751 3.282 1.00 0.00 H new ATOM 604 N GLY A 42 -5.875 -12.382 5.049 1.00 0.00 N ATOM 605 CA GLY A 42 -6.563 -13.495 4.337 1.00 0.00 C ATOM 606 C GLY A 42 -7.512 -12.932 3.275 1.00 0.00 C ATOM 607 O GLY A 42 -7.800 -13.576 2.285 1.00 0.00 O ATOM 0 H GLY A 42 -6.117 -12.285 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.827 -14.148 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.121 -14.103 5.049 1.00 0.00 H new ATOM 611 N THR A 43 -8.014 -11.741 3.474 1.00 0.00 N ATOM 612 CA THR A 43 -8.959 -11.156 2.477 1.00 0.00 C ATOM 613 C THR A 43 -8.281 -11.052 1.111 1.00 0.00 C ATOM 614 O THR A 43 -8.843 -11.426 0.100 1.00 0.00 O ATOM 615 CB THR A 43 -9.385 -9.761 2.940 1.00 0.00 C ATOM 616 OG1 THR A 43 -9.912 -9.841 4.257 1.00 0.00 O ATOM 617 CG2 THR A 43 -10.453 -9.211 1.993 1.00 0.00 C ATOM 0 H THR A 43 -7.812 -11.150 4.280 1.00 0.00 H new ATOM 0 HA THR A 43 -9.834 -11.800 2.393 1.00 0.00 H new ATOM 0 HB THR A 43 -8.521 -9.096 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.184 -8.948 4.555 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.756 -8.217 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.047 -9.149 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.318 -9.874 1.996 1.00 0.00 H new ATOM 625 N TYR A 44 -7.078 -10.553 1.075 1.00 0.00 N ATOM 626 CA TYR A 44 -6.352 -10.425 -0.222 1.00 0.00 C ATOM 627 C TYR A 44 -4.999 -11.124 -0.110 1.00 0.00 C ATOM 628 O TYR A 44 -4.109 -10.909 -0.908 1.00 0.00 O ATOM 629 CB TYR A 44 -6.138 -8.946 -0.547 1.00 0.00 C ATOM 630 CG TYR A 44 -7.476 -8.270 -0.730 1.00 0.00 C ATOM 631 CD1 TYR A 44 -8.172 -8.412 -1.936 1.00 0.00 C ATOM 632 CD2 TYR A 44 -8.021 -7.501 0.305 1.00 0.00 C ATOM 633 CE1 TYR A 44 -9.413 -7.787 -2.107 1.00 0.00 C ATOM 634 CE2 TYR A 44 -9.261 -6.875 0.135 1.00 0.00 C ATOM 635 CZ TYR A 44 -9.958 -7.018 -1.072 1.00 0.00 C ATOM 636 OH TYR A 44 -11.180 -6.400 -1.240 1.00 0.00 O ATOM 0 H TYR A 44 -6.562 -10.226 1.892 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.939 -10.886 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.582 -8.463 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.541 -8.845 -1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.751 -9.004 -2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.484 -7.391 1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.950 -7.898 -3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.681 -6.282 0.934 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.412 -5.907 -0.425 1.00 0.00 H new ATOM 646 N GLY A 45 -4.835 -11.953 0.883 1.00 0.00 N ATOM 647 CA GLY A 45 -3.536 -12.659 1.055 1.00 0.00 C ATOM 648 C GLY A 45 -2.570 -11.746 1.809 1.00 0.00 C ATOM 649 O GLY A 45 -2.054 -12.098 2.851 1.00 0.00 O ATOM 0 H GLY A 45 -5.544 -12.172 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.683 -13.588 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.121 -12.926 0.083 1.00 0.00 H new ATOM 653 N ASN A 46 -2.325 -10.571 1.294 1.00 0.00 N ATOM 654 CA ASN A 46 -1.400 -9.636 1.986 1.00 0.00 C ATOM 655 C ASN A 46 -1.940 -8.208 1.883 1.00 0.00 C ATOM 656 O ASN A 46 -2.546 -7.833 0.898 1.00 0.00 O ATOM 657 CB ASN A 46 -0.014 -9.707 1.345 1.00 0.00 C ATOM 658 CG ASN A 46 1.044 -9.333 2.383 1.00 0.00 C ATOM 659 OD1 ASN A 46 1.429 -10.149 3.196 1.00 0.00 O ATOM 660 ND2 ASN A 46 1.528 -8.122 2.398 1.00 0.00 N ATOM 0 H ASN A 46 -2.727 -10.221 0.424 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.324 -9.920 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.172 -10.712 0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.040 -9.029 0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.229 -7.861 3.092 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.206 -7.436 1.716 1.00 0.00 H new ATOM 667 N GLY A 47 -1.725 -7.407 2.891 1.00 0.00 N ATOM 668 CA GLY A 47 -2.225 -6.004 2.845 1.00 0.00 C ATOM 669 C GLY A 47 -1.183 -5.060 3.452 1.00 0.00 C ATOM 670 O GLY A 47 -0.656 -5.305 4.519 1.00 0.00 O ATOM 0 H GLY A 47 -1.226 -7.663 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.433 -5.716 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.164 -5.925 3.393 1.00 0.00 H new ATOM 674 N CYS A 48 -0.886 -3.980 2.778 1.00 0.00 N ATOM 675 CA CYS A 48 0.114 -3.012 3.307 1.00 0.00 C ATOM 676 C CYS A 48 -0.597 -1.715 3.700 1.00 0.00 C ATOM 677 O CYS A 48 -1.300 -1.126 2.902 1.00 0.00 O ATOM 678 CB CYS A 48 1.145 -2.704 2.217 1.00 0.00 C ATOM 679 SG CYS A 48 2.696 -3.569 2.571 1.00 0.00 S ATOM 0 H CYS A 48 -1.297 -3.727 1.879 1.00 0.00 H new ATOM 0 HA CYS A 48 0.611 -3.440 4.177 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.761 -3.012 1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.322 -1.630 2.165 1.00 0.00 H new ATOM 684 N TRP A 49 -0.411 -1.255 4.914 1.00 0.00 N ATOM 685 CA TRP A 49 -1.070 0.014 5.336 1.00 0.00 C ATOM 686 C TRP A 49 0.003 1.040 5.694 1.00 0.00 C ATOM 687 O TRP A 49 0.992 0.721 6.322 1.00 0.00 O ATOM 688 CB TRP A 49 -1.977 -0.232 6.551 1.00 0.00 C ATOM 689 CG TRP A 49 -1.163 -0.554 7.766 1.00 0.00 C ATOM 690 CD1 TRP A 49 -0.380 0.323 8.440 1.00 0.00 C ATOM 691 CD2 TRP A 49 -1.065 -1.820 8.480 1.00 0.00 C ATOM 692 NE1 TRP A 49 0.203 -0.331 9.510 1.00 0.00 N ATOM 693 CE2 TRP A 49 -0.189 -1.653 9.578 1.00 0.00 C ATOM 694 CE3 TRP A 49 -1.641 -3.087 8.278 1.00 0.00 C ATOM 695 CZ2 TRP A 49 0.104 -2.704 10.447 1.00 0.00 C ATOM 696 CZ3 TRP A 49 -1.350 -4.147 9.152 1.00 0.00 C ATOM 697 CH2 TRP A 49 -0.478 -3.956 10.233 1.00 0.00 C ATOM 0 H TRP A 49 0.166 -1.703 5.625 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.682 0.389 4.516 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.587 0.651 6.740 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.662 -1.053 6.339 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.235 1.362 8.184 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.845 0.110 10.169 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.311 -3.246 7.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.776 -2.551 11.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.801 -5.115 8.990 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -0.256 -4.776 10.900 1.00 0.00 H new ATOM 708 N CYS A 50 -0.190 2.271 5.302 1.00 0.00 N ATOM 709 CA CYS A 50 0.815 3.324 5.623 1.00 0.00 C ATOM 710 C CYS A 50 0.114 4.483 6.326 1.00 0.00 C ATOM 711 O CYS A 50 -1.076 4.677 6.180 1.00 0.00 O ATOM 712 CB CYS A 50 1.479 3.824 4.335 1.00 0.00 C ATOM 713 SG CYS A 50 2.389 2.466 3.555 1.00 0.00 S ATOM 0 H CYS A 50 -1.001 2.592 4.773 1.00 0.00 H new ATOM 0 HA CYS A 50 1.583 2.908 6.275 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.724 4.210 3.650 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.157 4.648 4.559 1.00 0.00 H new ATOM 718 N ILE A 51 0.840 5.252 7.091 1.00 0.00 N ATOM 719 CA ILE A 51 0.212 6.394 7.808 1.00 0.00 C ATOM 720 C ILE A 51 0.698 7.706 7.192 1.00 0.00 C ATOM 721 O ILE A 51 1.884 7.972 7.132 1.00 0.00 O ATOM 722 CB ILE A 51 0.612 6.348 9.285 1.00 0.00 C ATOM 723 CG1 ILE A 51 0.335 4.953 9.854 1.00 0.00 C ATOM 724 CG2 ILE A 51 -0.200 7.384 10.065 1.00 0.00 C ATOM 725 CD1 ILE A 51 -1.095 4.525 9.513 1.00 0.00 C ATOM 0 H ILE A 51 1.841 5.137 7.249 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.873 6.329 7.722 1.00 0.00 H new ATOM 0 HB ILE A 51 1.675 6.570 9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.046 4.236 9.444 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.474 4.957 10.935 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.084 7.352 11.117 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.001 8.378 9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.263 7.161 9.969 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.285 3.532 9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.800 5.235 9.945 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.220 4.502 8.430 1.00 0.00 H new ATOM 737 N ALA A 52 -0.214 8.524 6.736 1.00 0.00 N ATOM 738 CA ALA A 52 0.174 9.826 6.120 1.00 0.00 C ATOM 739 C ALA A 52 -1.088 10.575 5.689 1.00 0.00 C ATOM 740 O ALA A 52 -2.119 10.492 6.327 1.00 0.00 O ATOM 741 CB ALA A 52 1.055 9.582 4.893 1.00 0.00 C ATOM 0 H ALA A 52 -1.218 8.344 6.764 1.00 0.00 H new ATOM 0 HA ALA A 52 0.728 10.416 6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.334 10.538 4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.955 9.045 5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.505 8.989 4.162 1.00 0.00 H new ATOM 747 N LEU A 53 -1.015 11.307 4.610 1.00 0.00 N ATOM 748 CA LEU A 53 -2.208 12.062 4.131 1.00 0.00 C ATOM 749 C LEU A 53 -2.384 11.841 2.626 1.00 0.00 C ATOM 750 O LEU A 53 -2.027 12.679 1.821 1.00 0.00 O ATOM 751 CB LEU A 53 -2.011 13.551 4.412 1.00 0.00 C ATOM 752 CG LEU A 53 -3.312 14.303 4.126 1.00 0.00 C ATOM 753 CD1 LEU A 53 -4.219 14.239 5.356 1.00 0.00 C ATOM 754 CD2 LEU A 53 -2.994 15.764 3.803 1.00 0.00 C ATOM 0 H LEU A 53 -0.177 11.415 4.038 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.097 11.708 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.714 13.699 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.207 13.945 3.791 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.819 13.844 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.146 14.775 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.445 13.198 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.713 14.698 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.920 16.301 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.488 16.223 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.347 15.810 2.927 1.00 0.00 H new ATOM 766 N PRO A 54 -2.932 10.716 2.253 1.00 0.00 N ATOM 767 CA PRO A 54 -3.170 10.356 0.834 1.00 0.00 C ATOM 768 C PRO A 54 -4.520 10.871 0.329 1.00 0.00 C ATOM 769 O PRO A 54 -5.073 10.362 -0.626 1.00 0.00 O ATOM 770 CB PRO A 54 -3.150 8.829 0.855 1.00 0.00 C ATOM 771 CG PRO A 54 -3.564 8.431 2.242 1.00 0.00 C ATOM 772 CD PRO A 54 -3.393 9.656 3.153 1.00 0.00 C ATOM 0 HA PRO A 54 -2.430 10.795 0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.833 8.419 0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.156 8.448 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.600 8.092 2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.954 7.601 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.332 9.926 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.669 9.464 3.945 1.00 0.00 H new ATOM 780 N ASP A 55 -5.057 11.875 0.966 1.00 0.00 N ATOM 781 CA ASP A 55 -6.372 12.421 0.528 1.00 0.00 C ATOM 782 C ASP A 55 -6.321 12.743 -0.965 1.00 0.00 C ATOM 783 O ASP A 55 -7.293 12.587 -1.675 1.00 0.00 O ATOM 784 CB ASP A 55 -6.685 13.695 1.316 1.00 0.00 C ATOM 785 CG ASP A 55 -6.947 13.339 2.780 1.00 0.00 C ATOM 786 OD1 ASP A 55 -7.067 12.162 3.071 1.00 0.00 O ATOM 787 OD2 ASP A 55 -7.024 14.253 3.586 1.00 0.00 O ATOM 0 H ASP A 55 -4.641 12.341 1.772 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.151 11.681 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.851 14.393 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.556 14.194 0.891 1.00 0.00 H new ATOM 792 N ASN A 56 -5.198 13.197 -1.448 1.00 0.00 N ATOM 793 CA ASN A 56 -5.091 13.529 -2.898 1.00 0.00 C ATOM 794 C ASN A 56 -5.460 12.300 -3.733 1.00 0.00 C ATOM 795 O ASN A 56 -6.048 12.413 -4.790 1.00 0.00 O ATOM 796 CB ASN A 56 -3.657 13.953 -3.219 1.00 0.00 C ATOM 797 CG ASN A 56 -3.326 15.245 -2.470 1.00 0.00 C ATOM 798 OD1 ASN A 56 -4.212 15.939 -2.012 1.00 0.00 O ATOM 799 ND2 ASN A 56 -2.079 15.600 -2.326 1.00 0.00 N ATOM 0 H ASN A 56 -4.350 13.353 -0.903 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.773 14.346 -3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.961 13.165 -2.932 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.543 14.103 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.848 16.460 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.335 15.017 -2.710 1.00 0.00 H new ATOM 806 N VAL A 57 -5.117 11.129 -3.268 1.00 0.00 N ATOM 807 CA VAL A 57 -5.444 9.890 -4.030 1.00 0.00 C ATOM 808 C VAL A 57 -6.098 8.868 -3.093 1.00 0.00 C ATOM 809 O VAL A 57 -5.467 7.930 -2.648 1.00 0.00 O ATOM 810 CB VAL A 57 -4.157 9.302 -4.616 1.00 0.00 C ATOM 811 CG1 VAL A 57 -3.237 8.848 -3.481 1.00 0.00 C ATOM 812 CG2 VAL A 57 -4.499 8.104 -5.504 1.00 0.00 C ATOM 0 H VAL A 57 -4.622 10.977 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.135 10.130 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.651 10.063 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.322 8.430 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.990 9.701 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.743 8.089 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.582 7.686 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.007 7.344 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.152 8.427 -6.315 1.00 0.00 H new ATOM 822 N PRO A 58 -7.356 9.054 -2.796 1.00 0.00 N ATOM 823 CA PRO A 58 -8.127 8.161 -1.904 1.00 0.00 C ATOM 824 C PRO A 58 -8.913 7.102 -2.681 1.00 0.00 C ATOM 825 O PRO A 58 -10.063 7.299 -3.019 1.00 0.00 O ATOM 826 CB PRO A 58 -9.081 9.136 -1.220 1.00 0.00 C ATOM 827 CG PRO A 58 -9.298 10.251 -2.201 1.00 0.00 C ATOM 828 CD PRO A 58 -8.203 10.146 -3.274 1.00 0.00 C ATOM 0 HA PRO A 58 -7.492 7.595 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.023 8.649 -0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.656 9.511 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.286 10.175 -2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.251 11.217 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.623 9.927 -4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.643 11.076 -3.367 1.00 0.00 H new ATOM 836 N ILE A 59 -8.308 5.979 -2.962 1.00 0.00 N ATOM 837 CA ILE A 59 -9.034 4.915 -3.713 1.00 0.00 C ATOM 838 C ILE A 59 -9.813 5.559 -4.864 1.00 0.00 C ATOM 839 O ILE A 59 -11.013 5.407 -4.979 1.00 0.00 O ATOM 840 CB ILE A 59 -10.010 4.218 -2.760 1.00 0.00 C ATOM 841 CG1 ILE A 59 -9.250 3.715 -1.529 1.00 0.00 C ATOM 842 CG2 ILE A 59 -10.660 3.026 -3.467 1.00 0.00 C ATOM 843 CD1 ILE A 59 -10.248 3.390 -0.418 1.00 0.00 C ATOM 0 H ILE A 59 -7.347 5.753 -2.705 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.328 4.188 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 59 -10.780 4.927 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.669 2.828 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.543 4.472 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.353 2.533 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -11.202 3.375 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.888 2.320 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.711 3.032 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.809 4.288 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -10.937 2.618 -0.762 1.00 0.00 H new ATOM 855 N ARG A 60 -9.140 6.290 -5.713 1.00 0.00 N ATOM 856 CA ARG A 60 -9.844 6.955 -6.848 1.00 0.00 C ATOM 857 C ARG A 60 -10.524 5.903 -7.727 1.00 0.00 C ATOM 858 O ARG A 60 -11.634 6.089 -8.184 1.00 0.00 O ATOM 859 CB ARG A 60 -8.843 7.746 -7.697 1.00 0.00 C ATOM 860 CG ARG A 60 -7.417 7.281 -7.393 1.00 0.00 C ATOM 861 CD ARG A 60 -6.462 7.854 -8.442 1.00 0.00 C ATOM 862 NE ARG A 60 -6.306 9.319 -8.225 1.00 0.00 N ATOM 863 CZ ARG A 60 -5.340 9.967 -8.816 1.00 0.00 C ATOM 864 NH1 ARG A 60 -4.513 9.331 -9.600 1.00 0.00 N ATOM 865 NH2 ARG A 60 -5.202 11.250 -8.625 1.00 0.00 N ATOM 0 H ARG A 60 -8.134 6.455 -5.670 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.594 7.635 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.062 7.607 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.939 8.812 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.120 7.609 -6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.369 6.192 -7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.492 7.360 -8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.848 7.663 -9.443 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.954 9.816 -7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.622 8.328 -9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.758 9.837 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.849 11.747 -8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.447 11.756 -9.087 1.00 0.00 H new ATOM 879 N ILE A 61 -9.868 4.804 -7.971 1.00 0.00 N ATOM 880 CA ILE A 61 -10.484 3.751 -8.827 1.00 0.00 C ATOM 881 C ILE A 61 -11.756 3.219 -8.148 1.00 0.00 C ATOM 882 O ILE A 61 -11.852 3.201 -6.938 1.00 0.00 O ATOM 883 CB ILE A 61 -9.481 2.605 -9.048 1.00 0.00 C ATOM 884 CG1 ILE A 61 -9.320 1.761 -7.771 1.00 0.00 C ATOM 885 CG2 ILE A 61 -8.124 3.187 -9.446 1.00 0.00 C ATOM 886 CD1 ILE A 61 -8.849 2.634 -6.604 1.00 0.00 C ATOM 0 H ILE A 61 -8.936 4.589 -7.617 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.747 4.177 -9.795 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.860 1.962 -9.842 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.269 1.288 -7.519 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.602 0.960 -7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.412 2.376 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.230 3.760 -10.367 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.761 3.840 -8.652 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.741 2.019 -5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.888 3.086 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.582 3.419 -6.418 1.00 0.00 H new ATOM 898 N PRO A 62 -12.731 2.785 -8.916 1.00 0.00 N ATOM 899 CA PRO A 62 -14.003 2.248 -8.356 1.00 0.00 C ATOM 900 C PRO A 62 -13.756 1.264 -7.209 1.00 0.00 C ATOM 901 O PRO A 62 -14.606 1.050 -6.367 1.00 0.00 O ATOM 902 CB PRO A 62 -14.651 1.521 -9.535 1.00 0.00 C ATOM 903 CG PRO A 62 -14.080 2.141 -10.768 1.00 0.00 C ATOM 904 CD PRO A 62 -12.733 2.765 -10.391 1.00 0.00 C ATOM 0 HA PRO A 62 -14.623 3.042 -7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.436 0.453 -9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -15.735 1.629 -9.511 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.950 1.391 -11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.756 2.899 -11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -11.901 2.178 -10.780 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.633 3.770 -10.801 1.00 0.00 H new ATOM 912 N GLY A 63 -12.599 0.665 -7.171 1.00 0.00 N ATOM 913 CA GLY A 63 -12.297 -0.305 -6.083 1.00 0.00 C ATOM 914 C GLY A 63 -11.573 -1.518 -6.667 1.00 0.00 C ATOM 915 O GLY A 63 -11.272 -2.467 -5.970 1.00 0.00 O ATOM 0 H GLY A 63 -11.849 0.806 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.678 0.169 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.220 -0.619 -5.595 1.00 0.00 H new ATOM 919 N LYS A 64 -11.290 -1.496 -7.941 1.00 0.00 N ATOM 920 CA LYS A 64 -10.585 -2.647 -8.565 1.00 0.00 C ATOM 921 C LYS A 64 -9.080 -2.380 -8.560 1.00 0.00 C ATOM 922 O LYS A 64 -8.638 -1.256 -8.695 1.00 0.00 O ATOM 923 CB LYS A 64 -11.062 -2.824 -10.007 1.00 0.00 C ATOM 924 CG LYS A 64 -12.569 -3.080 -10.023 1.00 0.00 C ATOM 925 CD LYS A 64 -12.992 -3.520 -11.424 1.00 0.00 C ATOM 926 CE LYS A 64 -12.637 -2.424 -12.430 1.00 0.00 C ATOM 927 NZ LYS A 64 -13.434 -2.613 -13.675 1.00 0.00 N ATOM 0 H LYS A 64 -11.517 -0.730 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.801 -3.553 -7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.829 -1.933 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.537 -3.657 -10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.827 -3.849 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.106 -2.176 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.491 -4.450 -11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.064 -3.717 -11.447 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.840 -1.443 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.572 -2.457 -12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.192 -1.867 -14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.219 -3.543 -14.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.448 -2.560 -13.450 1.00 0.00 H new ATOM 941 N CYS A 65 -8.292 -3.403 -8.406 1.00 0.00 N ATOM 942 CA CYS A 65 -6.817 -3.212 -8.392 1.00 0.00 C ATOM 943 C CYS A 65 -6.375 -2.554 -9.698 1.00 0.00 C ATOM 944 O CYS A 65 -5.613 -1.608 -9.704 1.00 0.00 O ATOM 945 CB CYS A 65 -6.140 -4.572 -8.262 1.00 0.00 C ATOM 946 SG CYS A 65 -4.425 -4.341 -7.736 1.00 0.00 S ATOM 0 H CYS A 65 -8.606 -4.366 -8.289 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.538 -2.576 -7.552 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.674 -5.189 -7.539 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.172 -5.099 -9.216 1.00 0.00 H new ATOM 951 N HIS A 66 -6.849 -3.053 -10.806 1.00 0.00 N ATOM 952 CA HIS A 66 -6.461 -2.467 -12.119 1.00 0.00 C ATOM 953 C HIS A 66 -4.968 -2.135 -12.113 1.00 0.00 C ATOM 954 O HIS A 66 -4.183 -3.028 -11.837 1.00 0.00 O ATOM 955 CB HIS A 66 -7.267 -1.191 -12.368 1.00 0.00 C ATOM 956 CG HIS A 66 -7.056 -0.745 -13.787 1.00 0.00 C ATOM 957 ND1 HIS A 66 -7.311 -1.579 -14.864 1.00 0.00 N ATOM 958 CD2 HIS A 66 -6.620 0.442 -14.324 1.00 0.00 C ATOM 959 CE1 HIS A 66 -7.030 -0.891 -15.986 1.00 0.00 C ATOM 960 NE2 HIS A 66 -6.606 0.343 -15.711 1.00 0.00 N ATOM 961 OXT HIS A 66 -4.632 -0.993 -12.383 1.00 0.00 O ATOM 0 H HIS A 66 -7.491 -3.844 -10.858 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.668 -3.187 -12.911 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.326 -1.373 -12.185 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.954 -0.408 -11.677 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.333 1.316 -13.757 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.135 -1.289 -16.985 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.329 1.063 -16.378 1.00 0.00 H new