USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 519 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 14 CYS SG : rot 176:sc= 0.0255 USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 ASN : amide:sc= -0.0391 K(o=0.34,f=-2.6!) USER MOD Set 2.2: A 13 HIS : no HE2:sc= 0.379 K(o=0.34,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.016) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= 0.529 (180deg=-0.412) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 11 CYS SG : rot 34:sc= 0.0121 USER MOD Single : A 16 MET CE :methyl -146:sc= 0 (180deg=-0.0856) USER MOD Single : A 19 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= -0.136 (180deg=-1.36) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.759) USER MOD Single : A 30 LYS NZ :NH3+ -173:sc=-0.00266 (180deg=-0.0755) USER MOD Single : A 34 SER OG : rot 84:sc= 1.08 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -30:sc= 0.0682 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.262 X(o=0.26,f=-0.084) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0475) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.493 7.580 0.690 1.00 0.00 N ATOM 2 CA MET A 1 10.254 8.266 1.095 1.00 0.00 C ATOM 3 C MET A 1 9.332 8.296 -0.105 1.00 0.00 C ATOM 4 O MET A 1 9.376 9.240 -0.896 1.00 0.00 O ATOM 5 CB MET A 1 10.520 9.697 1.588 1.00 0.00 C ATOM 6 CG MET A 1 11.129 9.734 2.984 1.00 0.00 C ATOM 7 SD MET A 1 11.824 11.336 3.444 1.00 0.00 S ATOM 8 CE MET A 1 12.710 10.783 4.918 1.00 0.00 C ATOM 0 H1 MET A 1 12.114 7.468 1.517 1.00 0.00 H new ATOM 0 H2 MET A 1 11.260 6.643 0.302 1.00 0.00 H new ATOM 0 H3 MET A 1 11.981 8.144 -0.035 1.00 0.00 H new ATOM 0 HA MET A 1 9.803 7.725 1.927 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.190 10.199 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.584 10.256 1.589 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.363 9.460 3.710 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.912 8.979 3.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.224 11.630 5.373 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.002 10.362 5.632 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.440 10.023 4.640 1.00 0.00 H new ATOM 18 N LEU A 2 8.541 7.245 -0.299 1.00 0.00 N ATOM 19 CA LEU A 2 7.605 7.149 -1.407 1.00 0.00 C ATOM 20 C LEU A 2 6.189 7.136 -0.858 1.00 0.00 C ATOM 21 O LEU A 2 5.956 6.951 0.338 1.00 0.00 O ATOM 22 CB LEU A 2 7.911 5.921 -2.298 1.00 0.00 C ATOM 23 CG LEU A 2 8.795 6.202 -3.531 1.00 0.00 C ATOM 24 CD1 LEU A 2 8.165 7.240 -4.458 1.00 0.00 C ATOM 25 CD2 LEU A 2 10.226 6.637 -3.195 1.00 0.00 C ATOM 0 H LEU A 2 8.534 6.431 0.315 1.00 0.00 H new ATOM 0 HA LEU A 2 7.712 8.019 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.400 5.163 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.967 5.496 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 2 8.859 5.239 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.819 7.409 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.198 6.877 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.027 8.176 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.779 6.814 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.199 7.554 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.720 5.853 -2.621 1.00 0.00 H new ATOM 37 N LYS A 3 5.237 7.357 -1.754 1.00 0.00 N ATOM 38 CA LYS A 3 3.819 7.387 -1.466 1.00 0.00 C ATOM 39 C LYS A 3 3.156 6.559 -2.542 1.00 0.00 C ATOM 40 O LYS A 3 3.421 6.778 -3.729 1.00 0.00 O ATOM 41 CB LYS A 3 3.306 8.829 -1.368 1.00 0.00 C ATOM 42 CG LYS A 3 3.646 9.742 -2.553 1.00 0.00 C ATOM 43 CD LYS A 3 3.357 11.199 -2.178 1.00 0.00 C ATOM 44 CE LYS A 3 3.617 12.156 -3.342 1.00 0.00 C ATOM 45 NZ LYS A 3 5.027 12.174 -3.786 1.00 0.00 N ATOM 0 H LYS A 3 5.445 7.526 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 3 3.582 6.960 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.222 8.802 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.711 9.277 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.695 9.627 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.058 9.457 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.319 11.291 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.978 11.484 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.983 11.874 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.324 13.163 -3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.226 13.071 -4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.652 12.082 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.196 11.381 -4.438 1.00 0.00 H new ATOM 59 N LEU A 4 2.414 5.542 -2.121 1.00 0.00 N ATOM 60 CA LEU A 4 1.706 4.621 -2.991 1.00 0.00 C ATOM 61 C LEU A 4 0.264 5.080 -3.102 1.00 0.00 C ATOM 62 O LEU A 4 -0.438 5.137 -2.088 1.00 0.00 O ATOM 63 CB LEU A 4 1.767 3.191 -2.418 1.00 0.00 C ATOM 64 CG LEU A 4 1.091 2.145 -3.338 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.073 1.609 -4.387 1.00 0.00 C ATOM 66 CD2 LEU A 4 0.531 0.978 -2.524 1.00 0.00 C ATOM 0 H LEU A 4 2.287 5.332 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 4 2.170 4.611 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.809 2.911 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.283 3.175 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 4 0.271 2.650 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.568 0.877 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.432 2.433 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.918 1.136 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.062 0.258 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.341 0.492 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.210 1.350 -1.816 1.00 0.00 H new ATOM 78 N LYS A 5 -0.133 5.544 -4.283 1.00 0.00 N ATOM 79 CA LYS A 5 -1.511 5.938 -4.521 1.00 0.00 C ATOM 80 C LYS A 5 -2.144 4.640 -5.001 1.00 0.00 C ATOM 81 O LYS A 5 -1.556 3.912 -5.806 1.00 0.00 O ATOM 82 CB LYS A 5 -1.673 7.102 -5.501 1.00 0.00 C ATOM 83 CG LYS A 5 -0.943 6.975 -6.850 1.00 0.00 C ATOM 84 CD LYS A 5 -1.519 7.960 -7.876 1.00 0.00 C ATOM 85 CE LYS A 5 -1.426 9.419 -7.403 1.00 0.00 C ATOM 86 NZ LYS A 5 -2.741 10.090 -7.408 1.00 0.00 N ATOM 0 H LYS A 5 0.483 5.655 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.990 6.346 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.736 7.234 -5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.326 8.011 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.121 7.167 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.037 5.956 -7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.984 7.852 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.562 7.710 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.009 9.447 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.738 9.966 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.631 11.071 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.129 10.087 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.391 9.585 -6.772 1.00 0.00 H new ATOM 100 N VAL A 6 -3.315 4.321 -4.485 1.00 0.00 N ATOM 101 CA VAL A 6 -4.039 3.110 -4.808 1.00 0.00 C ATOM 102 C VAL A 6 -5.474 3.500 -5.168 1.00 0.00 C ATOM 103 O VAL A 6 -5.886 4.644 -4.960 1.00 0.00 O ATOM 104 CB VAL A 6 -3.829 2.108 -3.641 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.201 2.667 -2.263 1.00 0.00 C ATOM 106 CG2 VAL A 6 -4.541 0.761 -3.814 1.00 0.00 C ATOM 0 H VAL A 6 -3.801 4.914 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.679 2.579 -5.689 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.753 1.940 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.026 1.906 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.589 3.543 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.254 2.950 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.336 0.128 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.615 0.925 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.178 0.271 -4.717 1.00 0.00 H new ATOM 116 N GLU A 7 -6.227 2.601 -5.789 1.00 0.00 N ATOM 117 CA GLU A 7 -7.605 2.834 -6.176 1.00 0.00 C ATOM 118 C GLU A 7 -8.336 1.498 -6.069 1.00 0.00 C ATOM 119 O GLU A 7 -7.804 0.441 -6.441 1.00 0.00 O ATOM 120 CB GLU A 7 -7.671 3.447 -7.587 1.00 0.00 C ATOM 121 CG GLU A 7 -8.963 4.242 -7.826 1.00 0.00 C ATOM 122 CD GLU A 7 -9.045 5.498 -6.946 1.00 0.00 C ATOM 123 OE1 GLU A 7 -8.486 6.560 -7.331 1.00 0.00 O ATOM 124 OE2 GLU A 7 -9.687 5.445 -5.880 1.00 0.00 O ATOM 0 H GLU A 7 -5.887 1.673 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.090 3.556 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.813 4.103 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.596 2.652 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.020 4.532 -8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.823 3.603 -7.625 1.00 0.00 H new ATOM 131 N GLY A 8 -9.562 1.545 -5.560 1.00 0.00 N ATOM 132 CA GLY A 8 -10.432 0.406 -5.349 1.00 0.00 C ATOM 133 C GLY A 8 -11.596 0.856 -4.489 1.00 0.00 C ATOM 134 O GLY A 8 -12.006 2.016 -4.562 1.00 0.00 O ATOM 0 H GLY A 8 -9.992 2.424 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.791 0.019 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.888 -0.403 -4.861 1.00 0.00 H new ATOM 138 N MET A 9 -12.171 -0.069 -3.725 1.00 0.00 N ATOM 139 CA MET A 9 -13.300 0.244 -2.860 1.00 0.00 C ATOM 140 C MET A 9 -12.882 1.254 -1.782 1.00 0.00 C ATOM 141 O MET A 9 -11.703 1.356 -1.428 1.00 0.00 O ATOM 142 CB MET A 9 -13.869 -1.051 -2.271 1.00 0.00 C ATOM 143 CG MET A 9 -14.381 -2.006 -3.355 1.00 0.00 C ATOM 144 SD MET A 9 -15.670 -1.320 -4.432 1.00 0.00 S ATOM 145 CE MET A 9 -15.575 -2.486 -5.813 1.00 0.00 C ATOM 0 H MET A 9 -11.871 -1.043 -3.689 1.00 0.00 H new ATOM 0 HA MET A 9 -14.094 0.716 -3.438 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.098 -1.550 -1.684 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.683 -0.810 -1.588 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.538 -2.316 -3.973 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.770 -2.903 -2.874 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.306 -2.210 -6.573 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.575 -2.458 -6.245 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.787 -3.493 -5.454 1.00 0.00 H new ATOM 155 N THR A 10 -13.868 1.961 -1.238 1.00 0.00 N ATOM 156 CA THR A 10 -13.739 2.997 -0.223 1.00 0.00 C ATOM 157 C THR A 10 -13.054 2.521 1.072 1.00 0.00 C ATOM 158 O THR A 10 -11.861 2.760 1.243 1.00 0.00 O ATOM 159 CB THR A 10 -15.138 3.604 0.000 1.00 0.00 C ATOM 160 OG1 THR A 10 -15.777 3.832 -1.250 1.00 0.00 O ATOM 161 CG2 THR A 10 -15.076 4.921 0.760 1.00 0.00 C ATOM 0 H THR A 10 -14.839 1.815 -1.513 1.00 0.00 H new ATOM 0 HA THR A 10 -13.058 3.770 -0.579 1.00 0.00 H new ATOM 0 HB THR A 10 -15.704 2.887 0.595 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.666 4.216 -1.098 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.085 5.312 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.618 4.757 1.735 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.481 5.639 0.196 1.00 0.00 H new ATOM 169 N CYS A 11 -13.770 1.849 1.979 1.00 0.00 N ATOM 170 CA CYS A 11 -13.252 1.365 3.256 1.00 0.00 C ATOM 171 C CYS A 11 -13.933 0.046 3.636 1.00 0.00 C ATOM 172 O CYS A 11 -15.160 -0.069 3.508 1.00 0.00 O ATOM 173 CB CYS A 11 -13.524 2.441 4.319 1.00 0.00 C ATOM 174 SG CYS A 11 -15.245 3.041 4.270 1.00 0.00 S ATOM 0 H CYS A 11 -14.754 1.622 1.838 1.00 0.00 H new ATOM 0 HA CYS A 11 -12.181 1.178 3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.311 2.034 5.308 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -12.845 3.280 4.166 1.00 0.00 H new ATOM 0 HG CYS A 11 -16.035 2.065 3.935 1.00 0.00 H new ATOM 180 N ASN A 12 -13.179 -0.980 4.046 1.00 0.00 N ATOM 181 CA ASN A 12 -13.697 -2.292 4.452 1.00 0.00 C ATOM 182 C ASN A 12 -12.558 -3.136 5.040 1.00 0.00 C ATOM 183 O ASN A 12 -11.435 -2.654 5.152 1.00 0.00 O ATOM 184 CB ASN A 12 -14.335 -3.055 3.269 1.00 0.00 C ATOM 185 CG ASN A 12 -15.381 -4.040 3.770 1.00 0.00 C ATOM 186 OD1 ASN A 12 -15.148 -5.240 3.869 1.00 0.00 O ATOM 187 ND2 ASN A 12 -16.539 -3.555 4.167 1.00 0.00 N ATOM 0 H ASN A 12 -12.163 -0.919 4.106 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.471 -2.122 5.200 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.795 -2.348 2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.563 -3.587 2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.246 -4.178 4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.729 -2.556 4.083 1.00 0.00 H new ATOM 194 N HIS A 13 -12.812 -4.412 5.343 1.00 0.00 N ATOM 195 CA HIS A 13 -11.870 -5.385 5.887 1.00 0.00 C ATOM 196 C HIS A 13 -10.622 -5.568 5.014 1.00 0.00 C ATOM 197 O HIS A 13 -9.648 -6.174 5.460 1.00 0.00 O ATOM 198 CB HIS A 13 -12.564 -6.746 5.991 1.00 0.00 C ATOM 199 CG HIS A 13 -13.748 -6.786 6.910 1.00 0.00 C ATOM 200 ND1 HIS A 13 -15.058 -6.509 6.572 1.00 0.00 N ATOM 201 CD2 HIS A 13 -13.706 -7.143 8.228 1.00 0.00 C ATOM 202 CE1 HIS A 13 -15.798 -6.673 7.682 1.00 0.00 C ATOM 203 NE2 HIS A 13 -15.016 -7.065 8.705 1.00 0.00 N ATOM 0 H HIS A 13 -13.739 -4.815 5.205 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.553 -5.005 6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.886 -7.050 4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.836 -7.483 6.329 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -15.400 -6.232 5.652 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.830 -7.430 8.791 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.864 -6.514 7.744 1.00 0.00 H new ATOM 211 N CYS A 14 -10.646 -5.078 3.769 1.00 0.00 N ATOM 212 CA CYS A 14 -9.551 -5.147 2.818 1.00 0.00 C ATOM 213 C CYS A 14 -8.263 -4.592 3.426 1.00 0.00 C ATOM 214 O CYS A 14 -7.193 -5.082 3.071 1.00 0.00 O ATOM 215 CB CYS A 14 -9.942 -4.409 1.545 1.00 0.00 C ATOM 216 SG CYS A 14 -11.400 -5.188 0.801 1.00 0.00 S ATOM 0 H CYS A 14 -11.466 -4.605 3.390 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.355 -6.189 2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.153 -3.364 1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.112 -4.421 0.838 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.780 -4.498 -0.233 1.00 0.00 H new ATOM 222 N VAL A 15 -8.341 -3.644 4.371 1.00 0.00 N ATOM 223 CA VAL A 15 -7.169 -3.070 5.027 1.00 0.00 C ATOM 224 C VAL A 15 -6.319 -4.205 5.621 1.00 0.00 C ATOM 225 O VAL A 15 -5.096 -4.181 5.499 1.00 0.00 O ATOM 226 CB VAL A 15 -7.573 -2.032 6.098 1.00 0.00 C ATOM 227 CG1 VAL A 15 -6.338 -1.340 6.696 1.00 0.00 C ATOM 228 CG2 VAL A 15 -8.471 -0.926 5.532 1.00 0.00 C ATOM 0 H VAL A 15 -9.225 -3.256 4.700 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.572 -2.533 4.290 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.114 -2.596 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.655 -0.615 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.693 -2.085 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.790 -0.828 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.726 -0.223 6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.943 -0.400 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.383 -1.368 5.131 1.00 0.00 H new ATOM 238 N MET A 16 -6.938 -5.214 6.247 1.00 0.00 N ATOM 239 CA MET A 16 -6.234 -6.352 6.843 1.00 0.00 C ATOM 240 C MET A 16 -5.494 -7.150 5.769 1.00 0.00 C ATOM 241 O MET A 16 -4.381 -7.632 5.991 1.00 0.00 O ATOM 242 CB MET A 16 -7.239 -7.307 7.511 1.00 0.00 C ATOM 243 CG MET A 16 -7.975 -6.701 8.706 1.00 0.00 C ATOM 244 SD MET A 16 -6.953 -6.475 10.186 1.00 0.00 S ATOM 245 CE MET A 16 -6.813 -8.197 10.744 1.00 0.00 C ATOM 0 H MET A 16 -7.951 -5.262 6.354 1.00 0.00 H new ATOM 0 HA MET A 16 -5.530 -5.956 7.575 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.972 -7.623 6.769 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.711 -8.202 7.839 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.384 -5.734 8.412 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.820 -7.341 8.958 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.783 -8.225 11.833 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.673 -8.765 10.390 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.899 -8.636 10.345 1.00 0.00 H new ATOM 255 N ALA A 17 -6.142 -7.323 4.620 1.00 0.00 N ATOM 256 CA ALA A 17 -5.623 -8.062 3.490 1.00 0.00 C ATOM 257 C ALA A 17 -4.406 -7.350 2.901 1.00 0.00 C ATOM 258 O ALA A 17 -3.329 -7.949 2.825 1.00 0.00 O ATOM 259 CB ALA A 17 -6.758 -8.242 2.476 1.00 0.00 C ATOM 0 H ALA A 17 -7.071 -6.938 4.452 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.275 -9.049 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.390 -8.798 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.577 -8.792 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.115 -7.264 2.153 1.00 0.00 H new ATOM 265 N VAL A 18 -4.527 -6.057 2.572 1.00 0.00 N ATOM 266 CA VAL A 18 -3.403 -5.323 2.003 1.00 0.00 C ATOM 267 C VAL A 18 -2.293 -5.169 3.039 1.00 0.00 C ATOM 268 O VAL A 18 -1.147 -5.381 2.678 1.00 0.00 O ATOM 269 CB VAL A 18 -3.802 -3.996 1.327 1.00 0.00 C ATOM 270 CG1 VAL A 18 -4.743 -4.250 0.139 1.00 0.00 C ATOM 271 CG2 VAL A 18 -4.444 -2.970 2.263 1.00 0.00 C ATOM 0 H VAL A 18 -5.380 -5.510 2.690 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.009 -5.920 1.181 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.860 -3.563 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.011 -3.300 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.241 -4.881 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.645 -4.750 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.691 -2.069 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.353 -3.390 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.746 -2.719 3.062 1.00 0.00 H new ATOM 281 N THR A 19 -2.581 -4.885 4.316 1.00 0.00 N ATOM 282 CA THR A 19 -1.532 -4.747 5.333 1.00 0.00 C ATOM 283 C THR A 19 -0.743 -6.069 5.417 1.00 0.00 C ATOM 284 O THR A 19 0.489 -6.075 5.432 1.00 0.00 O ATOM 285 CB THR A 19 -2.128 -4.322 6.691 1.00 0.00 C ATOM 286 OG1 THR A 19 -2.943 -3.171 6.574 1.00 0.00 O ATOM 287 CG2 THR A 19 -1.048 -3.971 7.717 1.00 0.00 C ATOM 0 H THR A 19 -3.528 -4.747 4.668 1.00 0.00 H new ATOM 0 HA THR A 19 -0.840 -3.954 5.049 1.00 0.00 H new ATOM 0 HB THR A 19 -2.708 -5.184 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.802 -3.418 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.519 -3.678 8.655 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.411 -4.839 7.886 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.444 -3.145 7.341 1.00 0.00 H new ATOM 295 N LYS A 20 -1.436 -7.214 5.409 1.00 0.00 N ATOM 296 CA LYS A 20 -0.773 -8.513 5.469 1.00 0.00 C ATOM 297 C LYS A 20 0.090 -8.742 4.219 1.00 0.00 C ATOM 298 O LYS A 20 1.190 -9.291 4.348 1.00 0.00 O ATOM 299 CB LYS A 20 -1.848 -9.579 5.673 1.00 0.00 C ATOM 300 CG LYS A 20 -1.294 -10.932 6.121 1.00 0.00 C ATOM 301 CD LYS A 20 -2.383 -12.009 6.118 1.00 0.00 C ATOM 302 CE LYS A 20 -3.563 -11.799 7.092 1.00 0.00 C ATOM 303 NZ LYS A 20 -4.606 -10.868 6.593 1.00 0.00 N ATOM 0 H LYS A 20 -2.454 -7.263 5.362 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.079 -8.563 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.562 -9.225 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.397 -9.712 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.482 -11.232 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.872 -10.841 7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.784 -12.085 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.916 -12.967 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.024 -12.765 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.176 -11.420 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.659 -10.039 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.364 -10.560 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.526 -11.352 6.580 1.00 0.00 H new ATOM 317 N ALA A 21 -0.366 -8.311 3.037 1.00 0.00 N ATOM 318 CA ALA A 21 0.376 -8.452 1.786 1.00 0.00 C ATOM 319 C ALA A 21 1.598 -7.528 1.775 1.00 0.00 C ATOM 320 O ALA A 21 2.696 -7.959 1.426 1.00 0.00 O ATOM 321 CB ALA A 21 -0.533 -8.147 0.593 1.00 0.00 C ATOM 0 H ALA A 21 -1.269 -7.851 2.925 1.00 0.00 H new ATOM 0 HA ALA A 21 0.724 -9.482 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.032 -8.256 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.373 -8.842 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.907 -7.126 0.672 1.00 0.00 H new ATOM 327 N LEU A 22 1.419 -6.270 2.194 1.00 0.00 N ATOM 328 CA LEU A 22 2.422 -5.203 2.294 1.00 0.00 C ATOM 329 C LEU A 22 3.630 -5.706 3.084 1.00 0.00 C ATOM 330 O LEU A 22 4.765 -5.347 2.774 1.00 0.00 O ATOM 331 CB LEU A 22 1.799 -3.980 3.008 1.00 0.00 C ATOM 332 CG LEU A 22 1.282 -2.800 2.154 1.00 0.00 C ATOM 333 CD1 LEU A 22 0.665 -3.177 0.801 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.249 -2.026 2.985 1.00 0.00 C ATOM 0 H LEU A 22 0.500 -5.947 2.495 1.00 0.00 H new ATOM 0 HA LEU A 22 2.747 -4.912 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.966 -4.340 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.545 -3.586 3.698 1.00 0.00 H new ATOM 0 HG LEU A 22 2.158 -2.202 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.336 -2.274 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.409 -3.691 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.189 -3.835 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.131 -1.187 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.576 -2.688 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.720 -1.653 3.895 1.00 0.00 H new ATOM 346 N LYS A 23 3.399 -6.599 4.051 1.00 0.00 N ATOM 347 CA LYS A 23 4.421 -7.200 4.897 1.00 0.00 C ATOM 348 C LYS A 23 5.558 -7.837 4.090 1.00 0.00 C ATOM 349 O LYS A 23 6.651 -7.957 4.642 1.00 0.00 O ATOM 350 CB LYS A 23 3.743 -8.252 5.791 1.00 0.00 C ATOM 351 CG LYS A 23 4.498 -8.606 7.081 1.00 0.00 C ATOM 352 CD LYS A 23 4.362 -7.542 8.171 1.00 0.00 C ATOM 353 CE LYS A 23 2.942 -7.543 8.743 1.00 0.00 C ATOM 354 NZ LYS A 23 2.808 -6.594 9.859 1.00 0.00 N ATOM 0 H LYS A 23 2.460 -6.932 4.270 1.00 0.00 H new ATOM 0 HA LYS A 23 4.879 -6.415 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.750 -7.891 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.605 -9.163 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.126 -9.557 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.554 -8.746 6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.082 -7.733 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.595 -6.560 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.232 -7.284 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.687 -8.546 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.834 -6.621 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.468 -6.856 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.027 -5.633 9.526 1.00 0.00 H new ATOM 368 N LYS A 24 5.343 -8.222 2.819 1.00 0.00 N ATOM 369 CA LYS A 24 6.346 -8.851 1.950 1.00 0.00 C ATOM 370 C LYS A 24 7.633 -8.037 1.773 1.00 0.00 C ATOM 371 O LYS A 24 8.607 -8.570 1.244 1.00 0.00 O ATOM 372 CB LYS A 24 5.729 -9.257 0.595 1.00 0.00 C ATOM 373 CG LYS A 24 5.491 -8.081 -0.369 1.00 0.00 C ATOM 374 CD LYS A 24 4.932 -8.515 -1.734 1.00 0.00 C ATOM 375 CE LYS A 24 3.436 -8.870 -1.740 1.00 0.00 C ATOM 376 NZ LYS A 24 3.149 -10.309 -1.572 1.00 0.00 N ATOM 0 H LYS A 24 4.441 -8.099 2.358 1.00 0.00 H new ATOM 0 HA LYS A 24 6.662 -9.755 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.386 -9.981 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.779 -9.760 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.798 -7.377 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.430 -7.550 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.102 -7.712 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.497 -9.380 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.941 -8.318 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.999 -8.532 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.224 -10.530 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.887 -10.868 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.133 -10.544 -0.559 1.00 0.00 H new ATOM 390 N VAL A 25 7.651 -6.765 2.178 1.00 0.00 N ATOM 391 CA VAL A 25 8.823 -5.907 2.076 1.00 0.00 C ATOM 392 C VAL A 25 10.042 -6.564 2.744 1.00 0.00 C ATOM 393 O VAL A 25 9.890 -7.316 3.713 1.00 0.00 O ATOM 394 CB VAL A 25 8.538 -4.541 2.733 1.00 0.00 C ATOM 395 CG1 VAL A 25 7.592 -3.708 1.870 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.969 -4.655 4.157 1.00 0.00 C ATOM 0 H VAL A 25 6.841 -6.301 2.590 1.00 0.00 H new ATOM 0 HA VAL A 25 9.046 -5.758 1.020 1.00 0.00 H new ATOM 0 HB VAL A 25 9.504 -4.043 2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.406 -2.749 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.045 -3.539 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.649 -4.240 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.792 -3.657 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.030 -5.207 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.681 -5.181 4.792 1.00 0.00 H new ATOM 406 N PRO A 26 11.267 -6.242 2.297 1.00 0.00 N ATOM 407 CA PRO A 26 12.505 -6.776 2.850 1.00 0.00 C ATOM 408 C PRO A 26 12.923 -6.025 4.127 1.00 0.00 C ATOM 409 O PRO A 26 14.117 -5.840 4.359 1.00 0.00 O ATOM 410 CB PRO A 26 13.519 -6.605 1.711 1.00 0.00 C ATOM 411 CG PRO A 26 13.091 -5.287 1.089 1.00 0.00 C ATOM 412 CD PRO A 26 11.570 -5.377 1.165 1.00 0.00 C ATOM 0 HA PRO A 26 12.416 -7.816 3.165 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.543 -6.566 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.470 -7.427 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.477 -4.431 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 26 13.443 -5.188 0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.129 -4.390 1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.158 -5.786 0.242 1.00 0.00 H new ATOM 420 N GLY A 27 11.967 -5.538 4.921 1.00 0.00 N ATOM 421 CA GLY A 27 12.247 -4.805 6.139 1.00 0.00 C ATOM 422 C GLY A 27 12.265 -3.313 5.872 1.00 0.00 C ATOM 423 O GLY A 27 13.297 -2.759 5.488 1.00 0.00 O ATOM 0 H GLY A 27 10.971 -5.647 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.492 -5.036 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.208 -5.119 6.546 1.00 0.00 H new ATOM 427 N VAL A 28 11.107 -2.670 6.037 1.00 0.00 N ATOM 428 CA VAL A 28 10.945 -1.233 5.829 1.00 0.00 C ATOM 429 C VAL A 28 10.646 -0.509 7.147 1.00 0.00 C ATOM 430 O VAL A 28 11.133 0.601 7.357 1.00 0.00 O ATOM 431 CB VAL A 28 9.896 -0.999 4.717 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.441 -0.968 5.202 1.00 0.00 C ATOM 433 CG2 VAL A 28 10.176 0.295 3.957 1.00 0.00 C ATOM 0 H VAL A 28 10.247 -3.139 6.322 1.00 0.00 H new ATOM 0 HA VAL A 28 11.879 -0.792 5.482 1.00 0.00 H new ATOM 0 HB VAL A 28 10.001 -1.867 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.778 -0.799 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.194 -1.920 5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.316 -0.163 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.422 0.432 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.143 1.137 4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.163 0.241 3.498 1.00 0.00 H new ATOM 443 N GLU A 29 9.877 -1.153 8.037 1.00 0.00 N ATOM 444 CA GLU A 29 9.419 -0.696 9.350 1.00 0.00 C ATOM 445 C GLU A 29 8.434 0.475 9.286 1.00 0.00 C ATOM 446 O GLU A 29 7.455 0.489 10.032 1.00 0.00 O ATOM 447 CB GLU A 29 10.606 -0.350 10.275 1.00 0.00 C ATOM 448 CG GLU A 29 10.197 -0.266 11.757 1.00 0.00 C ATOM 449 CD GLU A 29 9.812 -1.640 12.299 1.00 0.00 C ATOM 450 OE1 GLU A 29 10.727 -2.470 12.495 1.00 0.00 O ATOM 451 OE2 GLU A 29 8.611 -1.978 12.424 1.00 0.00 O ATOM 0 H GLU A 29 9.531 -2.091 7.834 1.00 0.00 H new ATOM 0 HA GLU A 29 8.873 -1.539 9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.384 -1.104 10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.037 0.602 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.021 0.142 12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.358 0.420 11.868 1.00 0.00 H new ATOM 458 N LYS A 30 8.616 1.409 8.356 1.00 0.00 N ATOM 459 CA LYS A 30 7.792 2.593 8.220 1.00 0.00 C ATOM 460 C LYS A 30 6.815 2.529 7.047 1.00 0.00 C ATOM 461 O LYS A 30 7.214 2.625 5.885 1.00 0.00 O ATOM 462 CB LYS A 30 8.759 3.782 8.126 1.00 0.00 C ATOM 463 CG LYS A 30 8.444 4.897 9.118 1.00 0.00 C ATOM 464 CD LYS A 30 7.134 5.624 8.811 1.00 0.00 C ATOM 465 CE LYS A 30 6.910 6.802 9.760 1.00 0.00 C ATOM 466 NZ LYS A 30 6.852 6.399 11.183 1.00 0.00 N ATOM 0 H LYS A 30 9.361 1.356 7.662 1.00 0.00 H new ATOM 0 HA LYS A 30 7.135 2.693 9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.776 3.429 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.729 4.186 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.392 4.477 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.261 5.618 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.148 5.982 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.301 4.926 8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.714 7.526 9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.980 7.304 9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.581 7.217 11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.148 5.642 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.786 6.054 11.484 1.00 0.00 H new ATOM 480 N VAL A 31 5.532 2.345 7.349 1.00 0.00 N ATOM 481 CA VAL A 31 4.447 2.288 6.382 1.00 0.00 C ATOM 482 C VAL A 31 3.197 2.859 7.061 1.00 0.00 C ATOM 483 O VAL A 31 3.060 2.738 8.282 1.00 0.00 O ATOM 484 CB VAL A 31 4.267 0.842 5.870 1.00 0.00 C ATOM 485 CG1 VAL A 31 3.840 -0.145 6.971 1.00 0.00 C ATOM 486 CG2 VAL A 31 3.283 0.770 4.693 1.00 0.00 C ATOM 0 H VAL A 31 5.211 2.228 8.310 1.00 0.00 H new ATOM 0 HA VAL A 31 4.659 2.887 5.496 1.00 0.00 H new ATOM 0 HB VAL A 31 5.255 0.536 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.731 -1.142 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.598 -0.166 7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.888 0.173 7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.185 -0.264 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.309 1.144 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.655 1.380 3.870 1.00 0.00 H new ATOM 496 N GLU A 32 2.350 3.572 6.324 1.00 0.00 N ATOM 497 CA GLU A 32 1.097 4.138 6.810 1.00 0.00 C ATOM 498 C GLU A 32 0.085 4.041 5.672 1.00 0.00 C ATOM 499 O GLU A 32 0.457 4.303 4.529 1.00 0.00 O ATOM 500 CB GLU A 32 1.290 5.572 7.314 1.00 0.00 C ATOM 501 CG GLU A 32 -0.051 6.272 7.573 1.00 0.00 C ATOM 502 CD GLU A 32 0.079 7.418 8.570 1.00 0.00 C ATOM 503 OE1 GLU A 32 0.937 8.310 8.362 1.00 0.00 O ATOM 504 OE2 GLU A 32 -0.663 7.403 9.576 1.00 0.00 O ATOM 0 H GLU A 32 2.523 3.778 5.340 1.00 0.00 H new ATOM 0 HA GLU A 32 0.727 3.582 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.876 5.558 8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.861 6.141 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.446 6.655 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.771 5.545 7.949 1.00 0.00 H new ATOM 511 N VAL A 33 -1.180 3.719 5.952 1.00 0.00 N ATOM 512 CA VAL A 33 -2.236 3.606 4.948 1.00 0.00 C ATOM 513 C VAL A 33 -3.428 4.438 5.431 1.00 0.00 C ATOM 514 O VAL A 33 -3.680 4.528 6.638 1.00 0.00 O ATOM 515 CB VAL A 33 -2.596 2.118 4.716 1.00 0.00 C ATOM 516 CG1 VAL A 33 -3.576 1.951 3.544 1.00 0.00 C ATOM 517 CG2 VAL A 33 -1.362 1.244 4.425 1.00 0.00 C ATOM 0 H VAL A 33 -1.503 3.526 6.900 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.910 3.992 3.982 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.056 1.787 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.806 0.894 3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.494 2.498 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.123 2.342 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.676 0.212 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.861 1.609 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.675 1.292 5.270 1.00 0.00 H new ATOM 527 N SER A 34 -4.117 5.127 4.520 1.00 0.00 N ATOM 528 CA SER A 34 -5.290 5.942 4.840 1.00 0.00 C ATOM 529 C SER A 34 -6.511 5.028 4.739 1.00 0.00 C ATOM 530 O SER A 34 -6.619 4.260 3.785 1.00 0.00 O ATOM 531 CB SER A 34 -5.375 7.131 3.877 1.00 0.00 C ATOM 532 OG SER A 34 -4.110 7.777 3.800 1.00 0.00 O ATOM 0 H SER A 34 -3.874 5.135 3.529 1.00 0.00 H new ATOM 0 HA SER A 34 -5.232 6.359 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.680 6.789 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.133 7.835 4.219 1.00 0.00 H new ATOM 0 HG SER A 34 -3.544 7.312 3.149 1.00 0.00 H new ATOM 538 N LEU A 35 -7.389 5.043 5.740 1.00 0.00 N ATOM 539 CA LEU A 35 -8.584 4.207 5.769 1.00 0.00 C ATOM 540 C LEU A 35 -9.621 4.704 4.769 1.00 0.00 C ATOM 541 O LEU A 35 -10.182 3.916 4.012 1.00 0.00 O ATOM 542 CB LEU A 35 -9.185 4.205 7.190 1.00 0.00 C ATOM 543 CG LEU A 35 -8.611 3.115 8.114 1.00 0.00 C ATOM 544 CD1 LEU A 35 -7.095 3.231 8.293 1.00 0.00 C ATOM 545 CD2 LEU A 35 -9.293 3.199 9.485 1.00 0.00 C ATOM 0 H LEU A 35 -7.289 5.641 6.560 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.300 3.192 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.014 5.180 7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.264 4.072 7.116 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.809 2.153 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.745 2.438 8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.606 3.138 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.853 4.200 8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.888 2.428 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.110 4.180 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.366 3.048 9.367 1.00 0.00 H new ATOM 557 N GLU A 36 -9.889 6.005 4.794 1.00 0.00 N ATOM 558 CA GLU A 36 -10.861 6.676 3.942 1.00 0.00 C ATOM 559 C GLU A 36 -10.381 7.047 2.535 1.00 0.00 C ATOM 560 O GLU A 36 -11.218 7.504 1.748 1.00 0.00 O ATOM 561 CB GLU A 36 -11.426 7.901 4.685 1.00 0.00 C ATOM 562 CG GLU A 36 -12.423 7.499 5.788 1.00 0.00 C ATOM 563 CD GLU A 36 -11.770 6.858 7.016 1.00 0.00 C ATOM 564 OE1 GLU A 36 -10.767 7.424 7.516 1.00 0.00 O ATOM 565 OE2 GLU A 36 -12.304 5.846 7.527 1.00 0.00 O ATOM 0 H GLU A 36 -9.417 6.644 5.433 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.643 5.941 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.606 8.467 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.921 8.561 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.976 8.384 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.149 6.802 5.370 1.00 0.00 H new ATOM 572 N LYS A 37 -9.086 6.940 2.203 1.00 0.00 N ATOM 573 CA LYS A 37 -8.568 7.298 0.873 1.00 0.00 C ATOM 574 C LYS A 37 -7.606 6.252 0.345 1.00 0.00 C ATOM 575 O LYS A 37 -7.001 5.503 1.114 1.00 0.00 O ATOM 576 CB LYS A 37 -7.836 8.654 0.887 1.00 0.00 C ATOM 577 CG LYS A 37 -8.703 9.834 1.336 1.00 0.00 C ATOM 578 CD LYS A 37 -7.965 11.170 1.163 1.00 0.00 C ATOM 579 CE LYS A 37 -8.098 11.749 -0.258 1.00 0.00 C ATOM 580 NZ LYS A 37 -7.444 13.071 -0.372 1.00 0.00 N ATOM 0 H LYS A 37 -8.370 6.604 2.846 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.441 7.359 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.972 8.581 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.455 8.858 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.627 9.849 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.983 9.704 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.356 11.891 1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.909 11.029 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.653 11.059 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.153 11.841 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.554 13.430 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.886 13.735 0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.432 12.978 -0.150 1.00 0.00 H new ATOM 594 N GLY A 38 -7.408 6.243 -0.967 1.00 0.00 N ATOM 595 CA GLY A 38 -6.521 5.340 -1.665 1.00 0.00 C ATOM 596 C GLY A 38 -5.111 5.912 -1.658 1.00 0.00 C ATOM 597 O GLY A 38 -4.552 6.163 -2.723 1.00 0.00 O ATOM 0 H GLY A 38 -7.883 6.893 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.531 4.361 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.862 5.197 -2.690 1.00 0.00 H new ATOM 601 N GLU A 39 -4.519 6.136 -0.483 1.00 0.00 N ATOM 602 CA GLU A 39 -3.175 6.683 -0.385 1.00 0.00 C ATOM 603 C GLU A 39 -2.462 6.139 0.853 1.00 0.00 C ATOM 604 O GLU A 39 -3.058 6.041 1.935 1.00 0.00 O ATOM 605 CB GLU A 39 -3.267 8.215 -0.378 1.00 0.00 C ATOM 606 CG GLU A 39 -1.879 8.855 -0.441 1.00 0.00 C ATOM 607 CD GLU A 39 -1.981 10.352 -0.727 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.432 11.124 0.145 1.00 0.00 O ATOM 609 OE2 GLU A 39 -1.622 10.788 -1.850 1.00 0.00 O ATOM 0 H GLU A 39 -4.958 5.943 0.417 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.579 6.377 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.863 8.550 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.782 8.546 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.358 8.696 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.286 8.372 -1.218 1.00 0.00 H new ATOM 616 N ALA A 40 -1.182 5.807 0.685 1.00 0.00 N ATOM 617 CA ALA A 40 -0.291 5.269 1.697 1.00 0.00 C ATOM 618 C ALA A 40 1.094 5.917 1.584 1.00 0.00 C ATOM 619 O ALA A 40 1.473 6.405 0.517 1.00 0.00 O ATOM 620 CB ALA A 40 -0.194 3.756 1.486 1.00 0.00 C ATOM 0 H ALA A 40 -0.718 5.915 -0.217 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.678 5.483 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.471 3.326 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.184 3.311 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.201 3.552 0.491 1.00 0.00 H new ATOM 626 N LEU A 41 1.845 5.928 2.685 1.00 0.00 N ATOM 627 CA LEU A 41 3.194 6.479 2.814 1.00 0.00 C ATOM 628 C LEU A 41 4.126 5.330 3.163 1.00 0.00 C ATOM 629 O LEU A 41 3.748 4.451 3.939 1.00 0.00 O ATOM 630 CB LEU A 41 3.286 7.524 3.945 1.00 0.00 C ATOM 631 CG LEU A 41 2.667 8.910 3.711 1.00 0.00 C ATOM 632 CD1 LEU A 41 3.229 9.575 2.456 1.00 0.00 C ATOM 633 CD2 LEU A 41 1.136 8.901 3.652 1.00 0.00 C ATOM 0 H LEU A 41 1.509 5.529 3.562 1.00 0.00 H new ATOM 0 HA LEU A 41 3.461 6.967 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.817 7.096 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.341 7.667 4.180 1.00 0.00 H new ATOM 0 HG LEU A 41 2.949 9.495 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.767 10.553 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.308 9.694 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.014 8.953 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.772 9.915 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.807 8.258 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.738 8.524 4.594 1.00 0.00 H new ATOM 645 N VAL A 42 5.341 5.351 2.623 1.00 0.00 N ATOM 646 CA VAL A 42 6.356 4.335 2.837 1.00 0.00 C ATOM 647 C VAL A 42 7.699 5.048 3.024 1.00 0.00 C ATOM 648 O VAL A 42 8.070 5.909 2.222 1.00 0.00 O ATOM 649 CB VAL A 42 6.367 3.347 1.650 1.00 0.00 C ATOM 650 CG1 VAL A 42 6.905 1.989 2.127 1.00 0.00 C ATOM 651 CG2 VAL A 42 5.001 3.111 0.979 1.00 0.00 C ATOM 0 H VAL A 42 5.652 6.101 2.006 1.00 0.00 H new ATOM 0 HA VAL A 42 6.148 3.744 3.729 1.00 0.00 H new ATOM 0 HB VAL A 42 7.004 3.812 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.915 1.288 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.918 2.113 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.264 1.601 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.116 2.403 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.301 2.708 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.618 4.055 0.592 1.00 0.00 H new ATOM 661 N GLU A 43 8.443 4.684 4.063 1.00 0.00 N ATOM 662 CA GLU A 43 9.734 5.270 4.397 1.00 0.00 C ATOM 663 C GLU A 43 10.723 4.119 4.581 1.00 0.00 C ATOM 664 O GLU A 43 10.659 3.390 5.570 1.00 0.00 O ATOM 665 CB GLU A 43 9.571 6.107 5.679 1.00 0.00 C ATOM 666 CG GLU A 43 9.776 7.610 5.570 1.00 0.00 C ATOM 667 CD GLU A 43 9.613 8.199 6.972 1.00 0.00 C ATOM 668 OE1 GLU A 43 10.562 8.093 7.784 1.00 0.00 O ATOM 669 OE2 GLU A 43 8.518 8.727 7.279 1.00 0.00 O ATOM 0 H GLU A 43 8.156 3.953 4.713 1.00 0.00 H new ATOM 0 HA GLU A 43 10.107 5.931 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.568 5.932 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.273 5.725 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.766 7.834 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.051 8.047 4.884 1.00 0.00 H new ATOM 676 N GLY A 44 11.614 3.909 3.613 1.00 0.00 N ATOM 677 CA GLY A 44 12.610 2.858 3.676 1.00 0.00 C ATOM 678 C GLY A 44 13.058 2.420 2.289 1.00 0.00 C ATOM 679 O GLY A 44 13.003 3.191 1.325 1.00 0.00 O ATOM 0 H GLY A 44 11.660 4.470 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.473 3.208 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.202 2.002 4.213 1.00 0.00 H new ATOM 683 N THR A 45 13.546 1.185 2.193 1.00 0.00 N ATOM 684 CA THR A 45 14.054 0.579 0.967 1.00 0.00 C ATOM 685 C THR A 45 12.987 -0.150 0.141 1.00 0.00 C ATOM 686 O THR A 45 13.297 -0.573 -0.972 1.00 0.00 O ATOM 687 CB THR A 45 15.200 -0.369 1.378 1.00 0.00 C ATOM 688 OG1 THR A 45 16.034 -0.709 0.294 1.00 0.00 O ATOM 689 CG2 THR A 45 14.726 -1.662 2.053 1.00 0.00 C ATOM 0 H THR A 45 13.600 0.558 2.996 1.00 0.00 H new ATOM 0 HA THR A 45 14.406 1.368 0.302 1.00 0.00 H new ATOM 0 HB THR A 45 15.765 0.208 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.511 -0.704 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.589 -2.275 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.170 -1.417 2.958 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.081 -2.214 1.369 1.00 0.00 H new ATOM 697 N ALA A 46 11.753 -0.294 0.640 1.00 0.00 N ATOM 698 CA ALA A 46 10.690 -1.005 -0.057 1.00 0.00 C ATOM 699 C ALA A 46 10.496 -0.519 -1.492 1.00 0.00 C ATOM 700 O ALA A 46 10.259 0.668 -1.721 1.00 0.00 O ATOM 701 CB ALA A 46 9.379 -0.898 0.721 1.00 0.00 C ATOM 0 H ALA A 46 11.469 0.084 1.544 1.00 0.00 H new ATOM 0 HA ALA A 46 10.994 -2.050 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.594 -1.434 0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.507 -1.334 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.099 0.151 0.820 1.00 0.00 H new ATOM 707 N ASP A 47 10.592 -1.451 -2.437 1.00 0.00 N ATOM 708 CA ASP A 47 10.424 -1.231 -3.871 1.00 0.00 C ATOM 709 C ASP A 47 8.955 -0.899 -4.149 1.00 0.00 C ATOM 710 O ASP A 47 8.076 -1.371 -3.417 1.00 0.00 O ATOM 711 CB ASP A 47 10.765 -2.511 -4.655 1.00 0.00 C ATOM 712 CG ASP A 47 12.245 -2.873 -4.625 1.00 0.00 C ATOM 713 OD1 ASP A 47 13.085 -2.015 -4.972 1.00 0.00 O ATOM 714 OD2 ASP A 47 12.545 -4.034 -4.255 1.00 0.00 O ATOM 0 H ASP A 47 10.798 -2.425 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 47 11.084 -0.420 -4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.189 -3.341 -4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.452 -2.386 -5.691 1.00 0.00 H new ATOM 719 N PRO A 48 8.639 -0.165 -5.226 1.00 0.00 N ATOM 720 CA PRO A 48 7.269 0.183 -5.552 1.00 0.00 C ATOM 721 C PRO A 48 6.533 -1.042 -6.078 1.00 0.00 C ATOM 722 O PRO A 48 5.431 -1.339 -5.627 1.00 0.00 O ATOM 723 CB PRO A 48 7.373 1.293 -6.596 1.00 0.00 C ATOM 724 CG PRO A 48 8.715 1.050 -7.281 1.00 0.00 C ATOM 725 CD PRO A 48 9.563 0.439 -6.170 1.00 0.00 C ATOM 0 HA PRO A 48 6.700 0.524 -4.687 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.550 1.246 -7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.337 2.279 -6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.617 0.375 -8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.149 1.976 -7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.249 -0.307 -6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.171 1.201 -5.683 1.00 0.00 H new ATOM 733 N LYS A 49 7.147 -1.793 -7.001 1.00 0.00 N ATOM 734 CA LYS A 49 6.537 -2.980 -7.590 1.00 0.00 C ATOM 735 C LYS A 49 6.173 -4.021 -6.537 1.00 0.00 C ATOM 736 O LYS A 49 5.224 -4.769 -6.765 1.00 0.00 O ATOM 737 CB LYS A 49 7.427 -3.553 -8.703 1.00 0.00 C ATOM 738 CG LYS A 49 7.658 -2.568 -9.868 1.00 0.00 C ATOM 739 CD LYS A 49 6.366 -2.168 -10.597 1.00 0.00 C ATOM 740 CE LYS A 49 6.657 -1.288 -11.816 1.00 0.00 C ATOM 741 NZ LYS A 49 6.922 0.129 -11.482 1.00 0.00 N ATOM 0 H LYS A 49 8.081 -1.590 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 49 5.595 -2.680 -8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.391 -3.836 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.970 -4.463 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.142 -1.670 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.345 -3.019 -10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.833 -3.065 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.710 -1.634 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.518 -1.693 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.809 -1.338 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.110 0.662 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.093 0.533 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.749 0.189 -10.855 1.00 0.00 H new ATOM 755 N ALA A 50 6.875 -4.080 -5.403 1.00 0.00 N ATOM 756 CA ALA A 50 6.539 -5.031 -4.357 1.00 0.00 C ATOM 757 C ALA A 50 5.151 -4.676 -3.817 1.00 0.00 C ATOM 758 O ALA A 50 4.277 -5.537 -3.747 1.00 0.00 O ATOM 759 CB ALA A 50 7.587 -4.990 -3.244 1.00 0.00 C ATOM 0 H ALA A 50 7.674 -3.482 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 50 6.528 -6.045 -4.757 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.322 -5.708 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.564 -5.244 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.623 -3.989 -2.815 1.00 0.00 H new ATOM 765 N LEU A 51 4.946 -3.406 -3.449 1.00 0.00 N ATOM 766 CA LEU A 51 3.681 -2.919 -2.911 1.00 0.00 C ATOM 767 C LEU A 51 2.583 -2.954 -3.968 1.00 0.00 C ATOM 768 O LEU A 51 1.463 -3.335 -3.643 1.00 0.00 O ATOM 769 CB LEU A 51 3.823 -1.503 -2.339 1.00 0.00 C ATOM 770 CG LEU A 51 4.320 -1.492 -0.882 1.00 0.00 C ATOM 771 CD1 LEU A 51 5.787 -1.923 -0.754 1.00 0.00 C ATOM 772 CD2 LEU A 51 4.171 -0.076 -0.334 1.00 0.00 C ATOM 0 H LEU A 51 5.664 -2.685 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 51 3.398 -3.587 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.517 -0.934 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.859 -0.997 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 51 3.721 -2.208 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.084 -1.897 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.903 -2.936 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.417 -1.243 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.518 -0.047 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.765 0.612 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.123 0.221 -0.373 1.00 0.00 H new ATOM 784 N VAL A 52 2.883 -2.585 -5.218 1.00 0.00 N ATOM 785 CA VAL A 52 1.896 -2.612 -6.296 1.00 0.00 C ATOM 786 C VAL A 52 1.350 -4.040 -6.372 1.00 0.00 C ATOM 787 O VAL A 52 0.144 -4.230 -6.284 1.00 0.00 O ATOM 788 CB VAL A 52 2.508 -2.104 -7.620 1.00 0.00 C ATOM 789 CG1 VAL A 52 1.593 -2.340 -8.830 1.00 0.00 C ATOM 790 CG2 VAL A 52 2.809 -0.598 -7.537 1.00 0.00 C ATOM 0 H VAL A 52 3.807 -2.263 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 52 1.067 -1.933 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 52 3.425 -2.676 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.077 -1.962 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.404 -3.408 -8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.648 -1.818 -8.679 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.239 -0.260 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.885 -0.052 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.516 -0.412 -6.728 1.00 0.00 H new ATOM 800 N GLN A 53 2.219 -5.051 -6.456 1.00 0.00 N ATOM 801 CA GLN A 53 1.789 -6.443 -6.516 1.00 0.00 C ATOM 802 C GLN A 53 1.115 -6.872 -5.205 1.00 0.00 C ATOM 803 O GLN A 53 0.224 -7.718 -5.251 1.00 0.00 O ATOM 804 CB GLN A 53 2.980 -7.330 -6.897 1.00 0.00 C ATOM 805 CG GLN A 53 3.097 -7.522 -8.419 1.00 0.00 C ATOM 806 CD GLN A 53 2.994 -6.237 -9.248 1.00 0.00 C ATOM 807 OE1 GLN A 53 2.032 -6.014 -9.972 1.00 0.00 O ATOM 808 NE2 GLN A 53 3.966 -5.346 -9.187 1.00 0.00 N ATOM 0 H GLN A 53 3.231 -4.926 -6.484 1.00 0.00 H new ATOM 0 HA GLN A 53 1.031 -6.559 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.899 -6.884 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.875 -8.303 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.052 -8.000 -8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.315 -8.209 -8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.775 -5.514 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.908 -4.489 -9.737 1.00 0.00 H new ATOM 817 N ALA A 54 1.506 -6.299 -4.058 1.00 0.00 N ATOM 818 CA ALA A 54 0.914 -6.607 -2.759 1.00 0.00 C ATOM 819 C ALA A 54 -0.546 -6.142 -2.716 1.00 0.00 C ATOM 820 O ALA A 54 -1.356 -6.752 -2.025 1.00 0.00 O ATOM 821 CB ALA A 54 1.705 -5.942 -1.629 1.00 0.00 C ATOM 0 H ALA A 54 2.250 -5.603 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 54 0.949 -7.687 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.246 -6.185 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.733 -6.305 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.701 -4.861 -1.769 1.00 0.00 H new ATOM 827 N VAL A 55 -0.889 -5.037 -3.382 1.00 0.00 N ATOM 828 CA VAL A 55 -2.273 -4.572 -3.417 1.00 0.00 C ATOM 829 C VAL A 55 -3.001 -5.236 -4.601 1.00 0.00 C ATOM 830 O VAL A 55 -4.194 -5.524 -4.502 1.00 0.00 O ATOM 831 CB VAL A 55 -2.384 -3.043 -3.321 1.00 0.00 C ATOM 832 CG1 VAL A 55 -1.683 -2.504 -2.062 1.00 0.00 C ATOM 833 CG2 VAL A 55 -1.856 -2.297 -4.539 1.00 0.00 C ATOM 0 H VAL A 55 -0.232 -4.453 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.802 -4.895 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.456 -2.853 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.782 -1.419 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.143 -2.939 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.627 -2.771 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.973 -1.224 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.801 -2.531 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.416 -2.601 -5.423 1.00 0.00 H new ATOM 843 N GLU A 56 -2.300 -5.514 -5.708 1.00 0.00 N ATOM 844 CA GLU A 56 -2.862 -6.146 -6.898 1.00 0.00 C ATOM 845 C GLU A 56 -3.321 -7.576 -6.592 1.00 0.00 C ATOM 846 O GLU A 56 -4.289 -8.040 -7.194 1.00 0.00 O ATOM 847 CB GLU A 56 -1.874 -6.078 -8.076 1.00 0.00 C ATOM 848 CG GLU A 56 -2.614 -6.190 -9.414 1.00 0.00 C ATOM 849 CD GLU A 56 -1.666 -6.195 -10.611 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.302 -5.125 -11.154 1.00 0.00 O ATOM 851 OE2 GLU A 56 -1.333 -7.304 -11.087 1.00 0.00 O ATOM 0 H GLU A 56 -1.307 -5.300 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.749 -5.590 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.321 -5.140 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.143 -6.882 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.207 -7.104 -9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.311 -5.357 -9.510 1.00 0.00 H new ATOM 858 N GLU A 57 -2.678 -8.285 -5.651 1.00 0.00 N ATOM 859 CA GLU A 57 -3.099 -9.641 -5.278 1.00 0.00 C ATOM 860 C GLU A 57 -4.457 -9.560 -4.557 1.00 0.00 C ATOM 861 O GLU A 57 -5.181 -10.548 -4.472 1.00 0.00 O ATOM 862 CB GLU A 57 -2.029 -10.386 -4.453 1.00 0.00 C ATOM 863 CG GLU A 57 -1.643 -9.720 -3.125 1.00 0.00 C ATOM 864 CD GLU A 57 -0.510 -10.442 -2.385 1.00 0.00 C ATOM 865 OE1 GLU A 57 0.671 -10.342 -2.800 1.00 0.00 O ATOM 866 OE2 GLU A 57 -0.761 -11.178 -1.405 1.00 0.00 O ATOM 0 H GLU A 57 -1.867 -7.941 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.218 -10.237 -6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.391 -11.393 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.131 -10.490 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.342 -8.690 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.520 -9.680 -2.479 1.00 0.00 H new ATOM 873 N GLU A 58 -4.814 -8.381 -4.041 1.00 0.00 N ATOM 874 CA GLU A 58 -6.068 -8.100 -3.361 1.00 0.00 C ATOM 875 C GLU A 58 -7.054 -7.451 -4.345 1.00 0.00 C ATOM 876 O GLU A 58 -8.167 -7.086 -3.954 1.00 0.00 O ATOM 877 CB GLU A 58 -5.815 -7.222 -2.120 1.00 0.00 C ATOM 878 CG GLU A 58 -5.083 -7.979 -1.002 1.00 0.00 C ATOM 879 CD GLU A 58 -5.846 -9.216 -0.513 1.00 0.00 C ATOM 880 OE1 GLU A 58 -7.095 -9.254 -0.666 1.00 0.00 O ATOM 881 OE2 GLU A 58 -5.199 -10.105 0.084 1.00 0.00 O ATOM 0 H GLU A 58 -4.205 -7.564 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.516 -9.029 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.227 -6.351 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.768 -6.852 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.100 -8.284 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.920 -7.305 -0.161 1.00 0.00 H new ATOM 888 N GLY A 59 -6.673 -7.315 -5.619 1.00 0.00 N ATOM 889 CA GLY A 59 -7.453 -6.745 -6.704 1.00 0.00 C ATOM 890 C GLY A 59 -7.363 -5.225 -6.811 1.00 0.00 C ATOM 891 O GLY A 59 -7.963 -4.667 -7.730 1.00 0.00 O ATOM 0 H GLY A 59 -5.752 -7.622 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.121 -7.184 -7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.498 -7.027 -6.572 1.00 0.00 H new ATOM 895 N TYR A 60 -6.677 -4.528 -5.906 1.00 0.00 N ATOM 896 CA TYR A 60 -6.557 -3.071 -5.961 1.00 0.00 C ATOM 897 C TYR A 60 -5.591 -2.654 -7.080 1.00 0.00 C ATOM 898 O TYR A 60 -4.869 -3.485 -7.631 1.00 0.00 O ATOM 899 CB TYR A 60 -6.139 -2.544 -4.583 1.00 0.00 C ATOM 900 CG TYR A 60 -7.277 -2.507 -3.577 1.00 0.00 C ATOM 901 CD1 TYR A 60 -7.717 -3.691 -2.953 1.00 0.00 C ATOM 902 CD2 TYR A 60 -7.919 -1.287 -3.288 1.00 0.00 C ATOM 903 CE1 TYR A 60 -8.809 -3.664 -2.068 1.00 0.00 C ATOM 904 CE2 TYR A 60 -8.997 -1.247 -2.386 1.00 0.00 C ATOM 905 CZ TYR A 60 -9.449 -2.439 -1.778 1.00 0.00 C ATOM 906 OH TYR A 60 -10.498 -2.404 -0.915 1.00 0.00 O ATOM 0 H TYR A 60 -6.191 -4.955 -5.117 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.520 -2.623 -6.205 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.338 -3.171 -4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.731 -1.539 -4.695 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.213 -4.624 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.581 -0.377 -3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.158 -4.578 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.478 -0.307 -2.159 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.819 -1.482 -0.828 1.00 0.00 H new ATOM 916 N LYS A 61 -5.578 -1.372 -7.450 1.00 0.00 N ATOM 917 CA LYS A 61 -4.714 -0.831 -8.506 1.00 0.00 C ATOM 918 C LYS A 61 -3.793 0.191 -7.871 1.00 0.00 C ATOM 919 O LYS A 61 -4.330 1.059 -7.183 1.00 0.00 O ATOM 920 CB LYS A 61 -5.571 -0.099 -9.547 1.00 0.00 C ATOM 921 CG LYS A 61 -6.646 -0.960 -10.215 1.00 0.00 C ATOM 922 CD LYS A 61 -7.418 -0.081 -11.209 1.00 0.00 C ATOM 923 CE LYS A 61 -8.633 -0.784 -11.810 1.00 0.00 C ATOM 924 NZ LYS A 61 -8.278 -2.054 -12.465 1.00 0.00 N ATOM 0 H LYS A 61 -6.176 -0.668 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.157 -1.639 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.054 0.751 -9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.915 0.302 -10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.190 -1.805 -10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.323 -1.371 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.744 0.828 -10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.748 0.224 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.364 -0.975 -11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.109 -0.125 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.123 -2.460 -12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.550 -1.881 -13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.910 -2.720 -11.756 1.00 0.00 H new ATOM 938 N ALA A 62 -2.470 0.158 -8.055 1.00 0.00 N ATOM 939 CA ALA A 62 -1.605 1.163 -7.437 1.00 0.00 C ATOM 940 C ALA A 62 -0.372 1.515 -8.252 1.00 0.00 C ATOM 941 O ALA A 62 0.083 0.743 -9.092 1.00 0.00 O ATOM 942 CB ALA A 62 -1.172 0.696 -6.054 1.00 0.00 C ATOM 0 H ALA A 62 -1.983 -0.541 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.206 2.070 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.528 1.450 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.052 0.546 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.625 -0.243 -6.142 1.00 0.00 H new ATOM 948 N GLU A 63 0.194 2.678 -7.934 1.00 0.00 N ATOM 949 CA GLU A 63 1.373 3.286 -8.533 1.00 0.00 C ATOM 950 C GLU A 63 2.013 4.194 -7.469 1.00 0.00 C ATOM 951 O GLU A 63 1.367 4.509 -6.467 1.00 0.00 O ATOM 952 CB GLU A 63 0.887 4.099 -9.749 1.00 0.00 C ATOM 953 CG GLU A 63 2.014 4.578 -10.670 1.00 0.00 C ATOM 954 CD GLU A 63 1.473 5.369 -11.864 1.00 0.00 C ATOM 955 OE1 GLU A 63 0.631 4.864 -12.638 1.00 0.00 O ATOM 956 OE2 GLU A 63 1.923 6.518 -12.090 1.00 0.00 O ATOM 0 H GLU A 63 -0.193 3.262 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 63 2.113 2.556 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.194 3.488 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.329 4.965 -9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.706 5.202 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.580 3.719 -11.029 1.00 0.00 H new ATOM 963 N VAL A 64 3.272 4.615 -7.632 1.00 0.00 N ATOM 964 CA VAL A 64 3.926 5.506 -6.671 1.00 0.00 C ATOM 965 C VAL A 64 4.235 6.838 -7.350 1.00 0.00 C ATOM 966 O VAL A 64 4.410 6.889 -8.574 1.00 0.00 O ATOM 967 CB VAL A 64 5.189 4.885 -6.032 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.897 3.586 -5.272 1.00 0.00 C ATOM 969 CG2 VAL A 64 6.331 4.647 -7.031 1.00 0.00 C ATOM 0 H VAL A 64 3.859 4.351 -8.423 1.00 0.00 H new ATOM 0 HA VAL A 64 3.236 5.672 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 64 5.521 5.639 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.822 3.198 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.184 3.785 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.476 2.850 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.184 4.210 -6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.994 3.966 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.627 5.596 -7.479 1.00 0.00 H new ATOM 979 N LEU A 65 4.336 7.906 -6.553 1.00 0.00 N ATOM 980 CA LEU A 65 4.646 9.256 -7.019 1.00 0.00 C ATOM 981 C LEU A 65 5.942 9.631 -6.311 1.00 0.00 C ATOM 982 O LEU A 65 5.967 9.734 -5.076 1.00 0.00 O ATOM 983 CB LEU A 65 3.467 10.216 -6.766 1.00 0.00 C ATOM 984 CG LEU A 65 3.463 11.514 -7.604 1.00 0.00 C ATOM 985 CD1 LEU A 65 4.588 12.497 -7.279 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.468 11.218 -9.106 1.00 0.00 C ATOM 0 H LEU A 65 4.201 7.852 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 65 4.790 9.318 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.538 9.679 -6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.465 10.488 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 65 2.532 12.004 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.500 13.375 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.516 12.800 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.551 12.017 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.465 12.156 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.361 10.648 -9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.581 10.639 -9.366 1.00 0.00 H new ATOM 998 N ALA A 66 7.036 9.671 -7.075 1.00 0.00 N ATOM 999 CA ALA A 66 8.372 9.985 -6.588 1.00 0.00 C ATOM 1000 C ALA A 66 8.568 11.486 -6.470 1.00 0.00 C ATOM 1001 O ALA A 66 9.629 11.978 -6.914 1.00 0.00 O ATOM 1002 CB ALA A 66 9.429 9.291 -7.456 1.00 0.00 C ATOM 0 H ALA A 66 7.011 9.480 -8.077 1.00 0.00 H new ATOM 0 HA ALA A 66 8.494 9.592 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.424 9.534 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.280 8.212 -7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.336 9.634 -8.487 1.00 0.00 H new TER 1008 ALA A 66