USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 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 180:sc= 0.514 USER MOD Set 1.2: A 60 TYR OH : rot 164:sc= 0.934 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0287) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.0219 (180deg=-0.245) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -147:sc= -0.166 (180deg=-2.61) USER MOD Single : A 10 THR OG1 : rot -38:sc= 0.422 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0476 USER MOD Single : A 12 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.057) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl -169:sc= -0.0613 (180deg=-0.332) USER MOD Single : A 19 THR OG1 : rot 53:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 1.29 (180deg=1.04) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 130:sc= 0.218 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0455 (180deg=-0.353) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.418 -3.705 7.938 1.00 0.00 N ATOM 2 CA MET A 1 -9.184 -3.077 7.434 1.00 0.00 C ATOM 3 C MET A 1 -8.544 -4.021 6.420 1.00 0.00 C ATOM 4 O MET A 1 -8.280 -5.183 6.745 1.00 0.00 O ATOM 5 CB MET A 1 -8.245 -2.652 8.581 1.00 0.00 C ATOM 6 CG MET A 1 -7.470 -3.800 9.247 1.00 0.00 C ATOM 7 SD MET A 1 -6.710 -3.447 10.860 1.00 0.00 S ATOM 8 CE MET A 1 -5.770 -1.941 10.485 1.00 0.00 C ATOM 0 H1 MET A 1 -10.870 -3.075 8.632 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.071 -3.872 7.146 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.186 -4.611 8.393 1.00 0.00 H new ATOM 0 HA MET A 1 -9.416 -2.143 6.922 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.529 -1.927 8.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.835 -2.142 9.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.150 -4.643 9.369 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.684 -4.121 8.564 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.193 -1.645 11.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.093 -2.132 9.652 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.458 -1.140 10.216 1.00 0.00 H new ATOM 18 N LEU A 2 -8.340 -3.559 5.186 1.00 0.00 N ATOM 19 CA LEU A 2 -7.751 -4.375 4.129 1.00 0.00 C ATOM 20 C LEU A 2 -6.275 -4.628 4.386 1.00 0.00 C ATOM 21 O LEU A 2 -5.572 -3.773 4.932 1.00 0.00 O ATOM 22 CB LEU A 2 -7.941 -3.704 2.759 1.00 0.00 C ATOM 23 CG LEU A 2 -9.183 -4.234 2.029 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.533 -3.290 0.881 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.953 -5.644 1.469 1.00 0.00 C ATOM 0 H LEU A 2 -8.578 -2.611 4.894 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.266 -5.336 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.031 -2.626 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.057 -3.877 2.145 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.001 -4.284 2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.415 -3.663 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.739 -2.296 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.696 -3.237 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.854 -5.985 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.123 -5.624 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.718 -6.326 2.286 1.00 0.00 H new ATOM 37 N LYS A 3 -5.812 -5.778 3.896 1.00 0.00 N ATOM 38 CA LYS A 3 -4.443 -6.260 4.009 1.00 0.00 C ATOM 39 C LYS A 3 -3.817 -6.362 2.631 1.00 0.00 C ATOM 40 O LYS A 3 -4.404 -6.943 1.714 1.00 0.00 O ATOM 41 CB LYS A 3 -4.439 -7.642 4.668 1.00 0.00 C ATOM 42 CG LYS A 3 -4.922 -7.579 6.117 1.00 0.00 C ATOM 43 CD LYS A 3 -5.096 -8.999 6.662 1.00 0.00 C ATOM 44 CE LYS A 3 -5.457 -8.988 8.148 1.00 0.00 C ATOM 45 NZ LYS A 3 -4.396 -8.393 8.979 1.00 0.00 N ATOM 0 H LYS A 3 -6.412 -6.426 3.386 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.868 -5.561 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.079 -8.318 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.431 -8.057 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.204 -7.030 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.867 -7.039 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.877 -9.512 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.174 -9.562 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.382 -8.430 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.646 -10.009 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.571 -8.617 9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.474 -8.780 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.393 -7.361 8.851 1.00 0.00 H new ATOM 59 N LEU A 4 -2.617 -5.813 2.492 1.00 0.00 N ATOM 60 CA LEU A 4 -1.830 -5.801 1.271 1.00 0.00 C ATOM 61 C LEU A 4 -0.408 -6.220 1.588 1.00 0.00 C ATOM 62 O LEU A 4 0.131 -5.875 2.645 1.00 0.00 O ATOM 63 CB LEU A 4 -1.829 -4.385 0.674 1.00 0.00 C ATOM 64 CG LEU A 4 -2.993 -4.191 -0.306 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.410 -2.725 -0.380 1.00 0.00 C ATOM 66 CD2 LEU A 4 -2.609 -4.689 -1.699 1.00 0.00 C ATOM 0 H LEU A 4 -2.146 -5.343 3.265 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.263 -6.495 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.900 -3.650 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.885 -4.206 0.160 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.837 -4.774 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.237 -2.617 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.725 -2.386 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.566 -2.123 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.447 -4.544 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.746 -4.130 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.360 -5.749 -1.651 1.00 0.00 H new ATOM 78 N LYS A 5 0.193 -6.941 0.651 1.00 0.00 N ATOM 79 CA LYS A 5 1.545 -7.451 0.686 1.00 0.00 C ATOM 80 C LYS A 5 2.289 -6.663 -0.367 1.00 0.00 C ATOM 81 O LYS A 5 1.912 -6.734 -1.536 1.00 0.00 O ATOM 82 CB LYS A 5 1.534 -8.944 0.335 1.00 0.00 C ATOM 83 CG LYS A 5 2.926 -9.570 0.505 1.00 0.00 C ATOM 84 CD LYS A 5 2.890 -11.101 0.424 1.00 0.00 C ATOM 85 CE LYS A 5 4.313 -11.650 0.593 1.00 0.00 C ATOM 86 NZ LYS A 5 4.320 -13.076 0.975 1.00 0.00 N ATOM 0 H LYS A 5 -0.290 -7.199 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 5 2.010 -7.349 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.819 -9.464 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.198 -9.075 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.592 -9.183 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.342 -9.269 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.238 -11.503 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.477 -11.417 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.863 -11.523 -0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.836 -11.070 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.302 -13.403 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.819 -13.196 1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.844 -13.635 0.238 1.00 0.00 H new ATOM 100 N VAL A 6 3.272 -5.874 0.035 1.00 0.00 N ATOM 101 CA VAL A 6 4.071 -5.080 -0.885 1.00 0.00 C ATOM 102 C VAL A 6 5.442 -5.720 -0.921 1.00 0.00 C ATOM 103 O VAL A 6 5.949 -6.142 0.125 1.00 0.00 O ATOM 104 CB VAL A 6 4.162 -3.624 -0.421 1.00 0.00 C ATOM 105 CG1 VAL A 6 4.793 -2.757 -1.509 1.00 0.00 C ATOM 106 CG2 VAL A 6 2.784 -3.048 -0.113 1.00 0.00 C ATOM 0 H VAL A 6 3.540 -5.766 1.013 1.00 0.00 H new ATOM 0 HA VAL A 6 3.619 -5.061 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 6 4.773 -3.618 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.851 -1.725 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.796 -3.122 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.183 -2.804 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.887 -2.013 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.165 -3.086 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.314 -3.633 0.678 1.00 0.00 H new ATOM 116 N GLU A 7 6.066 -5.742 -2.092 1.00 0.00 N ATOM 117 CA GLU A 7 7.366 -6.329 -2.291 1.00 0.00 C ATOM 118 C GLU A 7 8.233 -5.398 -3.143 1.00 0.00 C ATOM 119 O GLU A 7 7.929 -5.154 -4.318 1.00 0.00 O ATOM 120 CB GLU A 7 7.181 -7.688 -2.989 1.00 0.00 C ATOM 121 CG GLU A 7 6.532 -8.780 -2.125 1.00 0.00 C ATOM 122 CD GLU A 7 7.579 -9.716 -1.537 1.00 0.00 C ATOM 123 OE1 GLU A 7 8.236 -9.373 -0.528 1.00 0.00 O ATOM 124 OE2 GLU A 7 7.782 -10.807 -2.112 1.00 0.00 O ATOM 0 H GLU A 7 5.667 -5.342 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 7 7.867 -6.474 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.571 -7.541 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.156 -8.043 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.961 -8.318 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.827 -9.352 -2.728 1.00 0.00 H new ATOM 131 N GLY A 8 9.324 -4.885 -2.570 1.00 0.00 N ATOM 132 CA GLY A 8 10.267 -4.007 -3.254 1.00 0.00 C ATOM 133 C GLY A 8 10.615 -2.736 -2.488 1.00 0.00 C ATOM 134 O GLY A 8 11.583 -2.072 -2.857 1.00 0.00 O ATOM 0 H GLY A 8 9.578 -5.073 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.185 -4.562 -3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.850 -3.730 -4.222 1.00 0.00 H new ATOM 138 N MET A 9 9.835 -2.335 -1.480 1.00 0.00 N ATOM 139 CA MET A 9 10.138 -1.141 -0.705 1.00 0.00 C ATOM 140 C MET A 9 11.326 -1.465 0.197 1.00 0.00 C ATOM 141 O MET A 9 11.174 -2.193 1.178 1.00 0.00 O ATOM 142 CB MET A 9 8.947 -0.702 0.156 1.00 0.00 C ATOM 143 CG MET A 9 7.708 -0.332 -0.660 1.00 0.00 C ATOM 144 SD MET A 9 6.337 0.328 0.327 1.00 0.00 S ATOM 145 CE MET A 9 6.101 -1.049 1.480 1.00 0.00 C ATOM 0 H MET A 9 8.990 -2.824 -1.186 1.00 0.00 H new ATOM 0 HA MET A 9 10.365 -0.321 -1.386 1.00 0.00 H new ATOM 0 HB2 MET A 9 8.691 -1.507 0.846 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.243 0.155 0.761 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.989 0.407 -1.411 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.362 -1.216 -1.196 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.046 -1.129 1.740 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.430 -1.976 1.011 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.685 -0.872 2.383 1.00 0.00 H new ATOM 155 N THR A 10 12.505 -0.919 -0.099 1.00 0.00 N ATOM 156 CA THR A 10 13.702 -1.155 0.704 1.00 0.00 C ATOM 157 C THR A 10 14.274 0.162 1.249 1.00 0.00 C ATOM 158 O THR A 10 15.446 0.212 1.627 1.00 0.00 O ATOM 159 CB THR A 10 14.683 -2.065 -0.057 1.00 0.00 C ATOM 160 OG1 THR A 10 15.741 -2.481 0.795 1.00 0.00 O ATOM 161 CG2 THR A 10 15.249 -1.409 -1.314 1.00 0.00 C ATOM 0 H THR A 10 12.656 -0.304 -0.898 1.00 0.00 H new ATOM 0 HA THR A 10 13.453 -1.715 1.606 1.00 0.00 H new ATOM 0 HB THR A 10 14.112 -2.935 -0.381 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.992 -1.743 1.389 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.934 -2.099 -1.807 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.434 -1.159 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.784 -0.500 -1.040 1.00 0.00 H new ATOM 169 N CYS A 11 13.493 1.246 1.247 1.00 0.00 N ATOM 170 CA CYS A 11 13.885 2.546 1.760 1.00 0.00 C ATOM 171 C CYS A 11 12.623 3.270 2.229 1.00 0.00 C ATOM 172 O CYS A 11 11.542 3.042 1.683 1.00 0.00 O ATOM 173 CB CYS A 11 14.586 3.348 0.657 1.00 0.00 C ATOM 174 SG CYS A 11 15.430 4.769 1.399 1.00 0.00 S ATOM 0 H CYS A 11 12.543 1.235 0.875 1.00 0.00 H new ATOM 0 HA CYS A 11 14.579 2.436 2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 11 15.303 2.717 0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 11 13.859 3.686 -0.081 1.00 0.00 H new ATOM 0 HG CYS A 11 16.029 5.452 0.469 1.00 0.00 H new ATOM 180 N ASN A 12 12.754 4.174 3.203 1.00 0.00 N ATOM 181 CA ASN A 12 11.627 4.950 3.729 1.00 0.00 C ATOM 182 C ASN A 12 11.008 5.800 2.612 1.00 0.00 C ATOM 183 O ASN A 12 9.795 5.992 2.590 1.00 0.00 O ATOM 184 CB ASN A 12 12.060 5.798 4.938 1.00 0.00 C ATOM 185 CG ASN A 12 12.897 6.995 4.514 1.00 0.00 C ATOM 186 OD1 ASN A 12 14.088 6.853 4.236 1.00 0.00 O ATOM 187 ND2 ASN A 12 12.289 8.155 4.380 1.00 0.00 N ATOM 0 H ASN A 12 13.645 4.389 3.650 1.00 0.00 H new ATOM 0 HA ASN A 12 10.858 4.265 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.177 6.143 5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.633 5.180 5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.806 8.965 4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.301 8.244 4.618 1.00 0.00 H new ATOM 194 N HIS A 13 11.816 6.236 1.637 1.00 0.00 N ATOM 195 CA HIS A 13 11.367 7.032 0.500 1.00 0.00 C ATOM 196 C HIS A 13 10.298 6.279 -0.303 1.00 0.00 C ATOM 197 O HIS A 13 9.329 6.875 -0.771 1.00 0.00 O ATOM 198 CB HIS A 13 12.577 7.350 -0.384 1.00 0.00 C ATOM 199 CG HIS A 13 12.257 8.162 -1.610 1.00 0.00 C ATOM 200 ND1 HIS A 13 11.320 9.168 -1.705 1.00 0.00 N ATOM 201 CD2 HIS A 13 12.877 8.054 -2.823 1.00 0.00 C ATOM 202 CE1 HIS A 13 11.391 9.671 -2.947 1.00 0.00 C ATOM 203 NE2 HIS A 13 12.354 9.052 -3.650 1.00 0.00 N ATOM 0 H HIS A 13 12.817 6.039 1.621 1.00 0.00 H new ATOM 0 HA HIS A 13 10.919 7.959 0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.314 7.889 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.041 6.414 -0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 13 13.632 7.331 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.762 10.462 -3.328 1.00 0.00 H new ATOM 0 HE2 HIS A 13 12.647 9.268 -4.603 1.00 0.00 H new ATOM 211 N CYS A 14 10.482 4.966 -0.457 1.00 0.00 N ATOM 212 CA CYS A 14 9.573 4.093 -1.176 1.00 0.00 C ATOM 213 C CYS A 14 8.230 4.074 -0.455 1.00 0.00 C ATOM 214 O CYS A 14 7.187 4.350 -1.043 1.00 0.00 O ATOM 215 CB CYS A 14 10.159 2.673 -1.204 1.00 0.00 C ATOM 216 SG CYS A 14 11.893 2.695 -1.733 1.00 0.00 S ATOM 0 H CYS A 14 11.290 4.476 -0.073 1.00 0.00 H new ATOM 0 HA CYS A 14 9.437 4.453 -2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.083 2.225 -0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.576 2.049 -1.882 1.00 0.00 H new ATOM 0 HG CYS A 14 12.359 1.481 -1.744 1.00 0.00 H new ATOM 222 N VAL A 15 8.287 3.766 0.839 1.00 0.00 N ATOM 223 CA VAL A 15 7.152 3.656 1.728 1.00 0.00 C ATOM 224 C VAL A 15 6.323 4.932 1.708 1.00 0.00 C ATOM 225 O VAL A 15 5.115 4.846 1.505 1.00 0.00 O ATOM 226 CB VAL A 15 7.652 3.241 3.124 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.510 3.073 4.128 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.396 1.903 3.036 1.00 0.00 C ATOM 0 H VAL A 15 9.172 3.579 1.310 1.00 0.00 H new ATOM 0 HA VAL A 15 6.469 2.876 1.391 1.00 0.00 H new ATOM 0 HB VAL A 15 8.309 4.040 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.917 2.780 5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.974 4.016 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.825 2.303 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.747 1.616 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.722 1.136 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.249 2.004 2.365 1.00 0.00 H new ATOM 238 N MET A 16 6.921 6.111 1.879 1.00 0.00 N ATOM 239 CA MET A 16 6.164 7.360 1.871 1.00 0.00 C ATOM 240 C MET A 16 5.499 7.629 0.519 1.00 0.00 C ATOM 241 O MET A 16 4.335 8.040 0.494 1.00 0.00 O ATOM 242 CB MET A 16 7.023 8.522 2.363 1.00 0.00 C ATOM 243 CG MET A 16 8.258 8.829 1.515 1.00 0.00 C ATOM 244 SD MET A 16 9.471 9.927 2.293 1.00 0.00 S ATOM 245 CE MET A 16 8.388 11.291 2.779 1.00 0.00 C ATOM 0 H MET A 16 7.924 6.226 2.024 1.00 0.00 H new ATOM 0 HA MET A 16 5.341 7.256 2.578 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.402 9.417 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.347 8.307 3.381 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.750 7.889 1.264 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.933 9.279 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.993 12.140 3.096 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.768 11.583 1.931 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.749 10.973 3.603 1.00 0.00 H new ATOM 255 N ALA A 17 6.190 7.364 -0.597 1.00 0.00 N ATOM 256 CA ALA A 17 5.626 7.574 -1.925 1.00 0.00 C ATOM 257 C ALA A 17 4.371 6.710 -2.078 1.00 0.00 C ATOM 258 O ALA A 17 3.307 7.207 -2.454 1.00 0.00 O ATOM 259 CB ALA A 17 6.666 7.232 -2.994 1.00 0.00 C ATOM 0 H ALA A 17 7.144 7.003 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 17 5.349 8.621 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.237 7.391 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.539 7.872 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.963 6.188 -2.892 1.00 0.00 H new ATOM 265 N VAL A 18 4.498 5.430 -1.726 1.00 0.00 N ATOM 266 CA VAL A 18 3.461 4.408 -1.766 1.00 0.00 C ATOM 267 C VAL A 18 2.319 4.764 -0.804 1.00 0.00 C ATOM 268 O VAL A 18 1.154 4.582 -1.156 1.00 0.00 O ATOM 269 CB VAL A 18 4.138 3.059 -1.461 1.00 0.00 C ATOM 270 CG1 VAL A 18 3.148 1.920 -1.191 1.00 0.00 C ATOM 271 CG2 VAL A 18 5.061 2.686 -2.634 1.00 0.00 C ATOM 0 H VAL A 18 5.385 5.060 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 18 2.992 4.342 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 18 4.708 3.187 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.698 1.002 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.528 2.173 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.514 1.774 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.545 1.732 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.473 2.604 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.820 3.458 -2.759 1.00 0.00 H new ATOM 281 N THR A 19 2.628 5.304 0.380 1.00 0.00 N ATOM 282 CA THR A 19 1.647 5.713 1.382 1.00 0.00 C ATOM 283 C THR A 19 0.693 6.691 0.695 1.00 0.00 C ATOM 284 O THR A 19 -0.508 6.445 0.593 1.00 0.00 O ATOM 285 CB THR A 19 2.356 6.345 2.603 1.00 0.00 C ATOM 286 OG1 THR A 19 3.237 5.428 3.231 1.00 0.00 O ATOM 287 CG2 THR A 19 1.403 6.873 3.678 1.00 0.00 C ATOM 0 H THR A 19 3.591 5.471 0.672 1.00 0.00 H new ATOM 0 HA THR A 19 1.086 4.861 1.766 1.00 0.00 H new ATOM 0 HB THR A 19 2.902 7.188 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.848 5.052 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.980 7.299 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.760 7.642 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.789 6.055 4.054 1.00 0.00 H new ATOM 295 N LYS A 20 1.230 7.796 0.168 1.00 0.00 N ATOM 296 CA LYS A 20 0.413 8.791 -0.511 1.00 0.00 C ATOM 297 C LYS A 20 -0.283 8.210 -1.729 1.00 0.00 C ATOM 298 O LYS A 20 -1.457 8.499 -1.934 1.00 0.00 O ATOM 299 CB LYS A 20 1.263 9.990 -0.917 1.00 0.00 C ATOM 300 CG LYS A 20 1.766 10.756 0.304 1.00 0.00 C ATOM 301 CD LYS A 20 2.513 12.000 -0.164 1.00 0.00 C ATOM 302 CE LYS A 20 3.121 12.679 1.057 1.00 0.00 C ATOM 303 NZ LYS A 20 4.185 13.612 0.665 1.00 0.00 N ATOM 0 H LYS A 20 2.225 8.018 0.201 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.356 9.117 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.112 9.651 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.676 10.656 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.929 11.037 0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.424 10.124 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.293 11.730 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.834 12.680 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.345 13.215 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.524 11.925 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.583 14.061 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.935 13.093 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.792 14.343 0.038 1.00 0.00 H new ATOM 317 N ALA A 21 0.410 7.380 -2.507 1.00 0.00 N ATOM 318 CA ALA A 21 -0.143 6.769 -3.704 1.00 0.00 C ATOM 319 C ALA A 21 -1.424 5.994 -3.391 1.00 0.00 C ATOM 320 O ALA A 21 -2.397 6.096 -4.138 1.00 0.00 O ATOM 321 CB ALA A 21 0.889 5.862 -4.378 1.00 0.00 C ATOM 0 H ALA A 21 1.377 7.114 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.399 7.570 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.453 5.416 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.764 6.450 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.187 5.073 -3.687 1.00 0.00 H new ATOM 327 N LEU A 22 -1.452 5.227 -2.296 1.00 0.00 N ATOM 328 CA LEU A 22 -2.621 4.443 -1.917 1.00 0.00 C ATOM 329 C LEU A 22 -3.740 5.379 -1.490 1.00 0.00 C ATOM 330 O LEU A 22 -4.905 5.142 -1.797 1.00 0.00 O ATOM 331 CB LEU A 22 -2.217 3.468 -0.802 1.00 0.00 C ATOM 332 CG LEU A 22 -1.554 2.199 -1.378 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.571 1.549 -0.399 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.626 1.165 -1.720 1.00 0.00 C ATOM 0 H LEU A 22 -0.666 5.136 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.992 3.859 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.528 3.962 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.098 3.190 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.003 2.512 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.135 0.661 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.221 2.257 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.098 1.266 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.153 0.271 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.181 0.904 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.310 1.581 -2.459 1.00 0.00 H new ATOM 346 N LYS A 23 -3.407 6.487 -0.828 1.00 0.00 N ATOM 347 CA LYS A 23 -4.398 7.460 -0.385 1.00 0.00 C ATOM 348 C LYS A 23 -5.104 8.160 -1.546 1.00 0.00 C ATOM 349 O LYS A 23 -6.120 8.805 -1.293 1.00 0.00 O ATOM 350 CB LYS A 23 -3.753 8.448 0.595 1.00 0.00 C ATOM 351 CG LYS A 23 -3.367 7.705 1.881 1.00 0.00 C ATOM 352 CD LYS A 23 -2.899 8.644 2.990 1.00 0.00 C ATOM 353 CE LYS A 23 -3.955 8.709 4.105 1.00 0.00 C ATOM 354 NZ LYS A 23 -5.151 9.515 3.752 1.00 0.00 N ATOM 0 H LYS A 23 -2.447 6.732 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.188 6.922 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.870 8.902 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.446 9.258 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.224 7.131 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.575 6.990 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.950 8.295 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.725 9.641 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.271 7.696 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.498 9.128 5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.961 9.204 4.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.960 10.520 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.371 9.386 2.744 1.00 0.00 H new ATOM 368 N LYS A 24 -4.613 8.053 -2.789 1.00 0.00 N ATOM 369 CA LYS A 24 -5.233 8.657 -3.975 1.00 0.00 C ATOM 370 C LYS A 24 -6.475 7.874 -4.416 1.00 0.00 C ATOM 371 O LYS A 24 -7.150 8.275 -5.370 1.00 0.00 O ATOM 372 CB LYS A 24 -4.262 8.615 -5.167 1.00 0.00 C ATOM 373 CG LYS A 24 -2.914 9.308 -4.952 1.00 0.00 C ATOM 374 CD LYS A 24 -2.079 9.345 -6.237 1.00 0.00 C ATOM 375 CE LYS A 24 -1.837 7.946 -6.823 1.00 0.00 C ATOM 376 NZ LYS A 24 -0.790 7.956 -7.858 1.00 0.00 N ATOM 0 H LYS A 24 -3.760 7.536 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.495 9.679 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.076 7.572 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.752 9.073 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.081 10.325 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.358 8.787 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.586 9.963 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.120 9.819 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.550 7.263 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.765 7.566 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.658 6.993 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.074 8.588 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.103 8.294 -7.445 1.00 0.00 H new ATOM 390 N VAL A 25 -6.732 6.713 -3.815 1.00 0.00 N ATOM 391 CA VAL A 25 -7.854 5.856 -4.146 1.00 0.00 C ATOM 392 C VAL A 25 -9.144 6.373 -3.514 1.00 0.00 C ATOM 393 O VAL A 25 -9.142 6.710 -2.324 1.00 0.00 O ATOM 394 CB VAL A 25 -7.495 4.421 -3.723 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.633 3.423 -3.937 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.271 3.921 -4.499 1.00 0.00 C ATOM 0 H VAL A 25 -6.148 6.339 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.044 5.860 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.287 4.475 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.312 2.431 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.500 3.729 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.899 3.396 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.032 2.904 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.489 3.930 -5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.421 4.572 -4.296 1.00 0.00 H new ATOM 406 N PRO A 26 -10.252 6.415 -4.279 1.00 0.00 N ATOM 407 CA PRO A 26 -11.531 6.861 -3.777 1.00 0.00 C ATOM 408 C PRO A 26 -12.004 5.838 -2.749 1.00 0.00 C ATOM 409 O PRO A 26 -12.265 4.672 -3.071 1.00 0.00 O ATOM 410 CB PRO A 26 -12.468 6.988 -4.980 1.00 0.00 C ATOM 411 CG PRO A 26 -11.882 6.010 -5.982 1.00 0.00 C ATOM 412 CD PRO A 26 -10.387 6.065 -5.686 1.00 0.00 C ATOM 0 HA PRO A 26 -11.491 7.830 -3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.495 6.731 -4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.484 8.005 -5.372 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.283 5.006 -5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.101 6.305 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.916 5.104 -5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.894 6.804 -6.318 1.00 0.00 H new ATOM 420 N GLY A 27 -12.055 6.276 -1.503 1.00 0.00 N ATOM 421 CA GLY A 27 -12.485 5.508 -0.349 1.00 0.00 C ATOM 422 C GLY A 27 -11.408 5.342 0.715 1.00 0.00 C ATOM 423 O GLY A 27 -11.696 4.718 1.736 1.00 0.00 O ATOM 0 H GLY A 27 -11.783 7.228 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.352 5.995 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.810 4.522 -0.681 1.00 0.00 H new ATOM 427 N VAL A 28 -10.171 5.813 0.504 1.00 0.00 N ATOM 428 CA VAL A 28 -9.139 5.675 1.528 1.00 0.00 C ATOM 429 C VAL A 28 -9.208 6.862 2.483 1.00 0.00 C ATOM 430 O VAL A 28 -9.318 8.014 2.055 1.00 0.00 O ATOM 431 CB VAL A 28 -7.741 5.518 0.908 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.657 5.384 1.992 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.708 4.246 0.062 1.00 0.00 C ATOM 0 H VAL A 28 -9.869 6.283 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.325 4.762 2.094 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.542 6.405 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.681 5.275 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.658 6.275 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.863 4.507 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.719 4.129 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.928 3.384 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.454 4.316 -0.730 1.00 0.00 H new ATOM 443 N GLU A 29 -9.024 6.565 3.768 1.00 0.00 N ATOM 444 CA GLU A 29 -9.025 7.511 4.867 1.00 0.00 C ATOM 445 C GLU A 29 -7.661 7.478 5.545 1.00 0.00 C ATOM 446 O GLU A 29 -6.952 8.485 5.561 1.00 0.00 O ATOM 447 CB GLU A 29 -10.143 7.147 5.846 1.00 0.00 C ATOM 448 CG GLU A 29 -11.534 7.273 5.215 1.00 0.00 C ATOM 449 CD GLU A 29 -11.863 8.697 4.754 1.00 0.00 C ATOM 450 OE1 GLU A 29 -11.233 9.666 5.241 1.00 0.00 O ATOM 451 OE2 GLU A 29 -12.748 8.831 3.881 1.00 0.00 O ATOM 0 H GLU A 29 -8.862 5.607 4.080 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.208 8.522 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.997 6.125 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.083 7.796 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.601 6.598 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.284 6.950 5.937 1.00 0.00 H new ATOM 458 N LYS A 30 -7.244 6.321 6.069 1.00 0.00 N ATOM 459 CA LYS A 30 -5.960 6.170 6.735 1.00 0.00 C ATOM 460 C LYS A 30 -5.345 4.878 6.235 1.00 0.00 C ATOM 461 O LYS A 30 -6.039 4.012 5.690 1.00 0.00 O ATOM 462 CB LYS A 30 -6.145 6.232 8.262 1.00 0.00 C ATOM 463 CG LYS A 30 -4.856 6.476 9.067 1.00 0.00 C ATOM 464 CD LYS A 30 -4.224 7.858 8.816 1.00 0.00 C ATOM 465 CE LYS A 30 -3.120 8.094 9.852 1.00 0.00 C ATOM 466 NZ LYS A 30 -2.476 9.418 9.749 1.00 0.00 N ATOM 0 H LYS A 30 -7.795 5.463 6.039 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.274 6.984 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.855 7.025 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.592 5.296 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.077 6.374 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.130 5.703 8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.812 7.907 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.982 8.638 8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.543 7.983 10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.359 7.321 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.742 9.505 10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.043 9.521 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.189 10.163 9.885 1.00 0.00 H new ATOM 480 N VAL A 31 -4.033 4.788 6.381 1.00 0.00 N ATOM 481 CA VAL A 31 -3.217 3.673 5.961 1.00 0.00 C ATOM 482 C VAL A 31 -2.029 3.554 6.919 1.00 0.00 C ATOM 483 O VAL A 31 -1.724 4.527 7.619 1.00 0.00 O ATOM 484 CB VAL A 31 -2.728 3.954 4.517 1.00 0.00 C ATOM 485 CG1 VAL A 31 -3.838 3.882 3.460 1.00 0.00 C ATOM 486 CG2 VAL A 31 -2.018 5.309 4.341 1.00 0.00 C ATOM 0 H VAL A 31 -3.486 5.530 6.818 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.779 2.739 5.977 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.013 3.147 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.418 4.090 2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.279 2.885 3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.607 4.620 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.708 5.425 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.701 6.115 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.141 5.347 4.987 1.00 0.00 H new ATOM 496 N GLU A 32 -1.349 2.408 6.938 1.00 0.00 N ATOM 497 CA GLU A 32 -0.173 2.144 7.758 1.00 0.00 C ATOM 498 C GLU A 32 0.727 1.252 6.909 1.00 0.00 C ATOM 499 O GLU A 32 0.403 0.083 6.678 1.00 0.00 O ATOM 500 CB GLU A 32 -0.514 1.489 9.115 1.00 0.00 C ATOM 501 CG GLU A 32 -0.244 2.410 10.320 1.00 0.00 C ATOM 502 CD GLU A 32 1.133 3.079 10.305 1.00 0.00 C ATOM 503 OE1 GLU A 32 2.127 2.464 9.851 1.00 0.00 O ATOM 504 OE2 GLU A 32 1.197 4.292 10.618 1.00 0.00 O ATOM 0 H GLU A 32 -1.614 1.610 6.360 1.00 0.00 H new ATOM 0 HA GLU A 32 0.320 3.077 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.565 1.198 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.070 0.575 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.011 3.184 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.342 1.828 11.236 1.00 0.00 H new ATOM 511 N VAL A 33 1.834 1.802 6.411 1.00 0.00 N ATOM 512 CA VAL A 33 2.783 1.090 5.567 1.00 0.00 C ATOM 513 C VAL A 33 4.117 0.948 6.295 1.00 0.00 C ATOM 514 O VAL A 33 4.710 1.939 6.741 1.00 0.00 O ATOM 515 CB VAL A 33 2.944 1.796 4.205 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.619 0.856 3.199 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.608 2.239 3.600 1.00 0.00 C ATOM 0 H VAL A 33 2.098 2.771 6.588 1.00 0.00 H new ATOM 0 HA VAL A 33 2.400 0.090 5.364 1.00 0.00 H new ATOM 0 HB VAL A 33 3.551 2.681 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.727 1.365 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.603 0.570 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.007 -0.037 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.787 2.729 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.971 1.368 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.115 2.936 4.278 1.00 0.00 H new ATOM 527 N SER A 34 4.557 -0.294 6.454 1.00 0.00 N ATOM 528 CA SER A 34 5.809 -0.639 7.097 1.00 0.00 C ATOM 529 C SER A 34 6.940 -0.551 6.059 1.00 0.00 C ATOM 530 O SER A 34 6.717 -0.216 4.893 1.00 0.00 O ATOM 531 CB SER A 34 5.652 -2.055 7.667 1.00 0.00 C ATOM 532 OG SER A 34 6.739 -2.444 8.489 1.00 0.00 O ATOM 0 H SER A 34 4.035 -1.108 6.129 1.00 0.00 H new ATOM 0 HA SER A 34 6.060 0.043 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.729 -2.108 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.554 -2.763 6.844 1.00 0.00 H new ATOM 0 HG SER A 34 6.398 -2.794 9.339 1.00 0.00 H new ATOM 538 N LEU A 35 8.154 -0.884 6.479 1.00 0.00 N ATOM 539 CA LEU A 35 9.375 -0.929 5.682 1.00 0.00 C ATOM 540 C LEU A 35 10.105 -2.251 5.951 1.00 0.00 C ATOM 541 O LEU A 35 10.972 -2.649 5.179 1.00 0.00 O ATOM 542 CB LEU A 35 10.253 0.278 6.027 1.00 0.00 C ATOM 543 CG LEU A 35 11.608 0.345 5.300 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.565 0.144 3.781 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.185 1.737 5.557 1.00 0.00 C ATOM 0 H LEU A 35 8.324 -1.147 7.450 1.00 0.00 H new ATOM 0 HA LEU A 35 9.137 -0.881 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.695 1.187 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.437 0.275 7.101 1.00 0.00 H new ATOM 0 HG LEU A 35 12.203 -0.480 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.575 0.212 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.149 -0.838 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.941 0.915 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.150 1.829 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.502 2.492 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.316 1.884 6.629 1.00 0.00 H new ATOM 557 N GLU A 36 9.720 -2.966 7.011 1.00 0.00 N ATOM 558 CA GLU A 36 10.309 -4.236 7.410 1.00 0.00 C ATOM 559 C GLU A 36 9.322 -5.392 7.296 1.00 0.00 C ATOM 560 O GLU A 36 9.724 -6.531 7.064 1.00 0.00 O ATOM 561 CB GLU A 36 10.864 -4.085 8.829 1.00 0.00 C ATOM 562 CG GLU A 36 9.813 -3.990 9.944 1.00 0.00 C ATOM 563 CD GLU A 36 10.397 -3.278 11.160 1.00 0.00 C ATOM 564 OE1 GLU A 36 10.359 -2.027 11.173 1.00 0.00 O ATOM 565 OE2 GLU A 36 10.935 -3.953 12.065 1.00 0.00 O ATOM 0 H GLU A 36 8.968 -2.664 7.630 1.00 0.00 H new ATOM 0 HA GLU A 36 11.122 -4.487 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.514 -4.934 9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.487 -3.191 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.937 -3.450 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.478 -4.989 10.224 1.00 0.00 H new ATOM 572 N LYS A 37 8.027 -5.104 7.419 1.00 0.00 N ATOM 573 CA LYS A 37 6.968 -6.109 7.337 1.00 0.00 C ATOM 574 C LYS A 37 6.439 -6.327 5.920 1.00 0.00 C ATOM 575 O LYS A 37 5.737 -7.324 5.717 1.00 0.00 O ATOM 576 CB LYS A 37 5.803 -5.716 8.256 1.00 0.00 C ATOM 577 CG LYS A 37 6.235 -5.630 9.727 1.00 0.00 C ATOM 578 CD LYS A 37 5.066 -5.372 10.678 1.00 0.00 C ATOM 579 CE LYS A 37 4.056 -6.525 10.630 1.00 0.00 C ATOM 580 NZ LYS A 37 3.427 -6.765 11.940 1.00 0.00 N ATOM 0 H LYS A 37 7.680 -4.158 7.580 1.00 0.00 H new ATOM 0 HA LYS A 37 7.416 -7.050 7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.400 -4.754 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.000 -6.446 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.728 -6.560 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.970 -4.833 9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.439 -5.252 11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.572 -4.439 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.284 -6.300 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.559 -7.433 10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.752 -7.552 11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.160 -7.005 12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.925 -5.907 12.246 1.00 0.00 H new ATOM 594 N GLY A 38 6.717 -5.436 4.963 1.00 0.00 N ATOM 595 CA GLY A 38 6.225 -5.565 3.595 1.00 0.00 C ATOM 596 C GLY A 38 4.691 -5.555 3.571 1.00 0.00 C ATOM 597 O GLY A 38 4.081 -6.332 2.833 1.00 0.00 O ATOM 0 H GLY A 38 7.290 -4.606 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.609 -4.747 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.595 -6.491 3.155 1.00 0.00 H new ATOM 601 N GLU A 39 4.053 -4.778 4.452 1.00 0.00 N ATOM 602 CA GLU A 39 2.606 -4.664 4.563 1.00 0.00 C ATOM 603 C GLU A 39 2.164 -3.213 4.376 1.00 0.00 C ATOM 604 O GLU A 39 2.928 -2.283 4.665 1.00 0.00 O ATOM 605 CB GLU A 39 2.132 -5.185 5.929 1.00 0.00 C ATOM 606 CG GLU A 39 2.129 -6.717 6.017 1.00 0.00 C ATOM 607 CD GLU A 39 1.148 -7.198 7.087 1.00 0.00 C ATOM 608 OE1 GLU A 39 -0.078 -7.079 6.862 1.00 0.00 O ATOM 609 OE2 GLU A 39 1.574 -7.701 8.150 1.00 0.00 O ATOM 0 H GLU A 39 4.550 -4.195 5.126 1.00 0.00 H new ATOM 0 HA GLU A 39 2.155 -5.270 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.778 -4.783 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.126 -4.813 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.856 -7.141 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.132 -7.074 6.250 1.00 0.00 H new ATOM 616 N ALA A 40 0.915 -3.037 3.931 1.00 0.00 N ATOM 617 CA ALA A 40 0.282 -1.750 3.687 1.00 0.00 C ATOM 618 C ALA A 40 -1.199 -1.809 4.062 1.00 0.00 C ATOM 619 O ALA A 40 -2.078 -1.961 3.214 1.00 0.00 O ATOM 620 CB ALA A 40 0.451 -1.386 2.223 1.00 0.00 C ATOM 0 H ALA A 40 0.299 -3.823 3.725 1.00 0.00 H new ATOM 0 HA ALA A 40 0.754 -0.985 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.021 -0.422 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.513 -1.325 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.017 -2.149 1.602 1.00 0.00 H new ATOM 626 N LEU A 41 -1.477 -1.705 5.350 1.00 0.00 N ATOM 627 CA LEU A 41 -2.836 -1.756 5.894 1.00 0.00 C ATOM 628 C LEU A 41 -3.624 -0.532 5.434 1.00 0.00 C ATOM 629 O LEU A 41 -3.057 0.562 5.324 1.00 0.00 O ATOM 630 CB LEU A 41 -2.839 -1.809 7.435 1.00 0.00 C ATOM 631 CG LEU A 41 -2.511 -3.163 8.098 1.00 0.00 C ATOM 632 CD1 LEU A 41 -3.458 -4.279 7.648 1.00 0.00 C ATOM 633 CD2 LEU A 41 -1.064 -3.611 7.880 1.00 0.00 C ATOM 0 H LEU A 41 -0.759 -1.581 6.063 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.302 -2.669 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.122 -1.073 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.823 -1.494 7.781 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.652 -2.986 9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.184 -5.210 8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.482 -4.015 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.383 -4.407 6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.902 -4.570 8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.872 -3.715 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.386 -2.868 8.300 1.00 0.00 H new ATOM 645 N VAL A 42 -4.928 -0.694 5.204 1.00 0.00 N ATOM 646 CA VAL A 42 -5.841 0.353 4.770 1.00 0.00 C ATOM 647 C VAL A 42 -7.037 0.349 5.721 1.00 0.00 C ATOM 648 O VAL A 42 -7.674 -0.686 5.920 1.00 0.00 O ATOM 649 CB VAL A 42 -6.271 0.103 3.313 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.189 1.228 2.806 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.071 -0.026 2.367 1.00 0.00 C ATOM 0 H VAL A 42 -5.391 -1.596 5.321 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.360 1.331 4.799 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.814 -0.842 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.477 1.025 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.082 1.278 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.659 2.179 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.426 -0.202 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.486 0.894 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.447 -0.862 2.683 1.00 0.00 H new ATOM 661 N GLU A 43 -7.355 1.514 6.285 1.00 0.00 N ATOM 662 CA GLU A 43 -8.461 1.688 7.216 1.00 0.00 C ATOM 663 C GLU A 43 -9.728 2.131 6.470 1.00 0.00 C ATOM 664 O GLU A 43 -10.838 1.921 6.961 1.00 0.00 O ATOM 665 CB GLU A 43 -8.013 2.698 8.292 1.00 0.00 C ATOM 666 CG GLU A 43 -8.100 2.126 9.714 1.00 0.00 C ATOM 667 CD GLU A 43 -7.233 2.929 10.689 1.00 0.00 C ATOM 668 OE1 GLU A 43 -5.992 2.958 10.509 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.759 3.559 11.637 1.00 0.00 O ATOM 0 H GLU A 43 -6.840 2.376 6.102 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.718 0.748 7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.987 3.006 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.633 3.592 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.137 2.138 10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.778 1.085 9.710 1.00 0.00 H new ATOM 676 N GLY A 44 -9.576 2.736 5.284 1.00 0.00 N ATOM 677 CA GLY A 44 -10.688 3.202 4.457 1.00 0.00 C ATOM 678 C GLY A 44 -11.488 2.033 3.878 1.00 0.00 C ATOM 679 O GLY A 44 -11.110 0.873 4.052 1.00 0.00 O ATOM 0 H GLY A 44 -8.662 2.916 4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.346 3.834 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.304 3.819 3.644 1.00 0.00 H new ATOM 683 N THR A 45 -12.574 2.323 3.164 1.00 0.00 N ATOM 684 CA THR A 45 -13.476 1.348 2.558 1.00 0.00 C ATOM 685 C THR A 45 -13.127 1.080 1.092 1.00 0.00 C ATOM 686 O THR A 45 -13.922 0.483 0.361 1.00 0.00 O ATOM 687 CB THR A 45 -14.917 1.873 2.701 1.00 0.00 C ATOM 688 OG1 THR A 45 -15.008 3.212 2.224 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.391 1.845 4.158 1.00 0.00 C ATOM 0 H THR A 45 -12.861 3.285 2.985 1.00 0.00 H new ATOM 0 HA THR A 45 -13.373 0.393 3.073 1.00 0.00 H new ATOM 0 HB THR A 45 -15.553 1.215 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.930 3.531 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.412 2.223 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.362 0.821 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.737 2.471 4.765 1.00 0.00 H new ATOM 697 N ALA A 46 -11.974 1.569 0.630 1.00 0.00 N ATOM 698 CA ALA A 46 -11.556 1.388 -0.745 1.00 0.00 C ATOM 699 C ALA A 46 -11.457 -0.098 -1.126 1.00 0.00 C ATOM 700 O ALA A 46 -11.347 -0.957 -0.249 1.00 0.00 O ATOM 701 CB ALA A 46 -10.218 2.084 -0.972 1.00 0.00 C ATOM 0 H ALA A 46 -11.314 2.097 1.201 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.315 1.836 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.907 1.946 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.322 3.149 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.468 1.656 -0.307 1.00 0.00 H new ATOM 707 N ASP A 47 -11.473 -0.403 -2.427 1.00 0.00 N ATOM 708 CA ASP A 47 -11.376 -1.786 -2.901 1.00 0.00 C ATOM 709 C ASP A 47 -9.913 -2.189 -3.062 1.00 0.00 C ATOM 710 O ASP A 47 -9.085 -1.355 -3.441 1.00 0.00 O ATOM 711 CB ASP A 47 -12.119 -1.999 -4.226 1.00 0.00 C ATOM 712 CG ASP A 47 -13.445 -2.704 -3.947 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.363 -2.037 -3.421 1.00 0.00 O ATOM 714 OD2 ASP A 47 -13.498 -3.952 -4.090 1.00 0.00 O ATOM 0 H ASP A 47 -11.552 0.290 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.851 -2.416 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.298 -1.041 -4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.511 -2.596 -4.906 1.00 0.00 H new ATOM 719 N PRO A 48 -9.570 -3.476 -2.873 1.00 0.00 N ATOM 720 CA PRO A 48 -8.193 -3.936 -2.982 1.00 0.00 C ATOM 721 C PRO A 48 -7.616 -3.823 -4.384 1.00 0.00 C ATOM 722 O PRO A 48 -6.425 -3.557 -4.525 1.00 0.00 O ATOM 723 CB PRO A 48 -8.208 -5.372 -2.490 1.00 0.00 C ATOM 724 CG PRO A 48 -9.645 -5.846 -2.660 1.00 0.00 C ATOM 725 CD PRO A 48 -10.441 -4.565 -2.452 1.00 0.00 C ATOM 0 HA PRO A 48 -7.536 -3.303 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.520 -5.991 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.896 -5.433 -1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.817 -6.275 -3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.909 -6.611 -1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.360 -4.578 -3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.730 -4.451 -1.407 1.00 0.00 H new ATOM 733 N LYS A 49 -8.450 -4.001 -5.410 1.00 0.00 N ATOM 734 CA LYS A 49 -8.017 -3.914 -6.796 1.00 0.00 C ATOM 735 C LYS A 49 -7.489 -2.502 -7.061 1.00 0.00 C ATOM 736 O LYS A 49 -6.396 -2.331 -7.595 1.00 0.00 O ATOM 737 CB LYS A 49 -9.133 -4.308 -7.785 1.00 0.00 C ATOM 738 CG LYS A 49 -10.060 -5.477 -7.391 1.00 0.00 C ATOM 739 CD LYS A 49 -11.257 -5.026 -6.527 1.00 0.00 C ATOM 740 CE LYS A 49 -12.435 -6.005 -6.503 1.00 0.00 C ATOM 741 NZ LYS A 49 -13.002 -6.236 -7.847 1.00 0.00 N ATOM 0 H LYS A 49 -9.442 -4.209 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.215 -4.634 -6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.755 -3.430 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.665 -4.557 -8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.432 -5.960 -8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.484 -6.223 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.911 -4.870 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.610 -4.063 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.106 -6.955 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.213 -5.617 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.955 -6.643 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.059 -5.333 -8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.392 -6.895 -8.372 1.00 0.00 H new ATOM 755 N ALA A 50 -8.250 -1.489 -6.647 1.00 0.00 N ATOM 756 CA ALA A 50 -7.877 -0.096 -6.819 1.00 0.00 C ATOM 757 C ALA A 50 -6.662 0.273 -5.956 1.00 0.00 C ATOM 758 O ALA A 50 -5.894 1.161 -6.321 1.00 0.00 O ATOM 759 CB ALA A 50 -9.086 0.763 -6.452 1.00 0.00 C ATOM 0 H ALA A 50 -9.148 -1.619 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.588 0.080 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.834 1.817 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.922 0.513 -7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.366 0.573 -5.416 1.00 0.00 H new ATOM 765 N LEU A 51 -6.491 -0.384 -4.805 1.00 0.00 N ATOM 766 CA LEU A 51 -5.380 -0.138 -3.894 1.00 0.00 C ATOM 767 C LEU A 51 -4.082 -0.678 -4.495 1.00 0.00 C ATOM 768 O LEU A 51 -3.154 0.101 -4.692 1.00 0.00 O ATOM 769 CB LEU A 51 -5.658 -0.749 -2.515 1.00 0.00 C ATOM 770 CG LEU A 51 -6.711 0.011 -1.685 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.315 -0.922 -0.630 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.108 1.230 -0.984 1.00 0.00 C ATOM 0 H LEU A 51 -7.130 -1.109 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.270 0.937 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.991 -1.779 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.725 -0.785 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.483 0.356 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.058 -0.379 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.790 -1.770 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.527 -1.282 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.882 1.739 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.311 0.907 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.701 1.914 -1.729 1.00 0.00 H new ATOM 784 N VAL A 52 -4.002 -1.981 -4.796 1.00 0.00 N ATOM 785 CA VAL A 52 -2.824 -2.615 -5.374 1.00 0.00 C ATOM 786 C VAL A 52 -2.364 -1.867 -6.631 1.00 0.00 C ATOM 787 O VAL A 52 -1.165 -1.653 -6.803 1.00 0.00 O ATOM 788 CB VAL A 52 -3.110 -4.118 -5.596 1.00 0.00 C ATOM 789 CG1 VAL A 52 -3.938 -4.465 -6.835 1.00 0.00 C ATOM 790 CG2 VAL A 52 -1.815 -4.908 -5.654 1.00 0.00 C ATOM 0 H VAL A 52 -4.772 -2.631 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.981 -2.555 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.718 -4.393 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.076 -5.545 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.911 -3.978 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.418 -4.120 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.039 -5.963 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.202 -4.541 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.273 -4.788 -4.716 1.00 0.00 H new ATOM 800 N GLN A 53 -3.318 -1.420 -7.459 1.00 0.00 N ATOM 801 CA GLN A 53 -3.083 -0.681 -8.690 1.00 0.00 C ATOM 802 C GLN A 53 -2.194 0.526 -8.393 1.00 0.00 C ATOM 803 O GLN A 53 -1.159 0.696 -9.029 1.00 0.00 O ATOM 804 CB GLN A 53 -4.452 -0.277 -9.262 1.00 0.00 C ATOM 805 CG GLN A 53 -4.422 0.515 -10.574 1.00 0.00 C ATOM 806 CD GLN A 53 -5.819 1.034 -10.924 1.00 0.00 C ATOM 807 OE1 GLN A 53 -6.836 0.371 -10.710 1.00 0.00 O ATOM 808 NE2 GLN A 53 -5.928 2.232 -11.466 1.00 0.00 N ATOM 0 H GLN A 53 -4.310 -1.573 -7.276 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.561 -1.285 -9.432 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.040 -1.181 -9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.976 0.317 -8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.730 1.352 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.052 -0.119 -11.379 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.092 2.788 -11.647 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.848 2.602 -11.704 1.00 0.00 H new ATOM 817 N ALA A 54 -2.559 1.337 -7.394 1.00 0.00 N ATOM 818 CA ALA A 54 -1.797 2.519 -7.024 1.00 0.00 C ATOM 819 C ALA A 54 -0.352 2.206 -6.609 1.00 0.00 C ATOM 820 O ALA A 54 0.499 3.087 -6.713 1.00 0.00 O ATOM 821 CB ALA A 54 -2.529 3.266 -5.909 1.00 0.00 C ATOM 0 H ALA A 54 -3.391 1.186 -6.824 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.723 3.148 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.959 4.152 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.517 3.565 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.633 2.614 -5.042 1.00 0.00 H new ATOM 827 N VAL A 55 -0.053 1.002 -6.111 1.00 0.00 N ATOM 828 CA VAL A 55 1.303 0.627 -5.709 1.00 0.00 C ATOM 829 C VAL A 55 2.068 0.159 -6.949 1.00 0.00 C ATOM 830 O VAL A 55 3.243 0.487 -7.117 1.00 0.00 O ATOM 831 CB VAL A 55 1.285 -0.465 -4.618 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.672 -0.595 -3.974 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.284 -0.153 -3.502 1.00 0.00 C ATOM 0 H VAL A 55 -0.743 0.263 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 55 1.805 1.493 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 55 0.992 -1.391 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.646 -1.368 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.403 -0.865 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.954 0.356 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.308 -0.950 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.549 0.793 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.719 -0.079 -3.923 1.00 0.00 H new ATOM 843 N GLU A 56 1.419 -0.645 -7.798 1.00 0.00 N ATOM 844 CA GLU A 56 1.985 -1.172 -9.038 1.00 0.00 C ATOM 845 C GLU A 56 2.353 0.009 -9.952 1.00 0.00 C ATOM 846 O GLU A 56 3.364 -0.032 -10.650 1.00 0.00 O ATOM 847 CB GLU A 56 0.978 -2.158 -9.655 1.00 0.00 C ATOM 848 CG GLU A 56 0.848 -3.522 -8.935 1.00 0.00 C ATOM 849 CD GLU A 56 1.903 -4.566 -9.325 1.00 0.00 C ATOM 850 OE1 GLU A 56 2.565 -4.409 -10.372 1.00 0.00 O ATOM 851 OE2 GLU A 56 1.993 -5.640 -8.684 1.00 0.00 O ATOM 0 H GLU A 56 0.461 -0.953 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 56 2.905 -1.731 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.003 -1.683 -9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.264 -2.340 -10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.905 -3.355 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.141 -3.932 -9.142 1.00 0.00 H new ATOM 858 N GLU A 57 1.596 1.105 -9.892 1.00 0.00 N ATOM 859 CA GLU A 57 1.821 2.324 -10.663 1.00 0.00 C ATOM 860 C GLU A 57 3.143 2.990 -10.258 1.00 0.00 C ATOM 861 O GLU A 57 3.781 3.668 -11.070 1.00 0.00 O ATOM 862 CB GLU A 57 0.639 3.267 -10.411 1.00 0.00 C ATOM 863 CG GLU A 57 -0.577 2.875 -11.255 1.00 0.00 C ATOM 864 CD GLU A 57 -0.485 3.508 -12.636 1.00 0.00 C ATOM 865 OE1 GLU A 57 0.379 3.098 -13.441 1.00 0.00 O ATOM 866 OE2 GLU A 57 -1.248 4.472 -12.878 1.00 0.00 O ATOM 0 H GLU A 57 0.780 1.169 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 57 1.892 2.086 -11.724 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.373 3.245 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.932 4.291 -10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.630 1.790 -11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.492 3.198 -10.759 1.00 0.00 H new ATOM 873 N GLU A 58 3.572 2.814 -9.004 1.00 0.00 N ATOM 874 CA GLU A 58 4.822 3.369 -8.501 1.00 0.00 C ATOM 875 C GLU A 58 6.011 2.502 -8.948 1.00 0.00 C ATOM 876 O GLU A 58 7.156 2.838 -8.641 1.00 0.00 O ATOM 877 CB GLU A 58 4.775 3.569 -6.973 1.00 0.00 C ATOM 878 CG GLU A 58 3.768 4.637 -6.522 1.00 0.00 C ATOM 879 CD GLU A 58 3.940 5.969 -7.258 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.059 6.523 -7.262 1.00 0.00 O ATOM 881 OE2 GLU A 58 2.947 6.449 -7.857 1.00 0.00 O ATOM 0 H GLU A 58 3.054 2.277 -8.308 1.00 0.00 H new ATOM 0 HA GLU A 58 4.962 4.360 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.522 2.621 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.768 3.847 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.756 4.266 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.878 4.803 -5.450 1.00 0.00 H new ATOM 888 N GLY A 59 5.779 1.408 -9.682 1.00 0.00 N ATOM 889 CA GLY A 59 6.810 0.515 -10.189 1.00 0.00 C ATOM 890 C GLY A 59 7.208 -0.602 -9.231 1.00 0.00 C ATOM 891 O GLY A 59 8.245 -1.227 -9.451 1.00 0.00 O ATOM 0 H GLY A 59 4.837 1.117 -9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.461 0.070 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.696 1.103 -10.429 1.00 0.00 H new ATOM 895 N TYR A 60 6.462 -0.830 -8.152 1.00 0.00 N ATOM 896 CA TYR A 60 6.745 -1.889 -7.185 1.00 0.00 C ATOM 897 C TYR A 60 5.771 -3.040 -7.442 1.00 0.00 C ATOM 898 O TYR A 60 4.934 -2.946 -8.343 1.00 0.00 O ATOM 899 CB TYR A 60 6.572 -1.345 -5.768 1.00 0.00 C ATOM 900 CG TYR A 60 7.521 -0.223 -5.390 1.00 0.00 C ATOM 901 CD1 TYR A 60 7.228 1.098 -5.772 1.00 0.00 C ATOM 902 CD2 TYR A 60 8.652 -0.487 -4.595 1.00 0.00 C ATOM 903 CE1 TYR A 60 8.086 2.148 -5.413 1.00 0.00 C ATOM 904 CE2 TYR A 60 9.519 0.558 -4.227 1.00 0.00 C ATOM 905 CZ TYR A 60 9.248 1.876 -4.659 1.00 0.00 C ATOM 906 OH TYR A 60 10.113 2.881 -4.367 1.00 0.00 O ATOM 0 H TYR A 60 5.635 -0.279 -7.922 1.00 0.00 H new ATOM 0 HA TYR A 60 7.770 -2.245 -7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.548 -0.988 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.704 -2.165 -5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.337 1.306 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.855 -1.496 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.859 3.160 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.387 0.354 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 60 10.710 2.599 -3.643 1.00 0.00 H new ATOM 916 N LYS A 61 5.827 -4.117 -6.654 1.00 0.00 N ATOM 917 CA LYS A 61 4.930 -5.256 -6.814 1.00 0.00 C ATOM 918 C LYS A 61 4.072 -5.380 -5.560 1.00 0.00 C ATOM 919 O LYS A 61 4.637 -5.367 -4.465 1.00 0.00 O ATOM 920 CB LYS A 61 5.767 -6.516 -7.047 1.00 0.00 C ATOM 921 CG LYS A 61 4.864 -7.678 -7.465 1.00 0.00 C ATOM 922 CD LYS A 61 5.609 -9.002 -7.622 1.00 0.00 C ATOM 923 CE LYS A 61 6.151 -9.517 -6.285 1.00 0.00 C ATOM 924 NZ LYS A 61 7.621 -9.410 -6.174 1.00 0.00 N ATOM 0 H LYS A 61 6.495 -4.220 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 61 4.271 -5.120 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.513 -6.329 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.309 -6.775 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.075 -7.800 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.378 -7.429 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.939 -9.746 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.434 -8.873 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.690 -8.956 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.858 -10.559 -6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.927 -9.774 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.068 -9.967 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.904 -8.414 -6.265 1.00 0.00 H new ATOM 938 N ALA A 62 2.750 -5.514 -5.695 1.00 0.00 N ATOM 939 CA ALA A 62 1.865 -5.661 -4.546 1.00 0.00 C ATOM 940 C ALA A 62 0.762 -6.666 -4.855 1.00 0.00 C ATOM 941 O ALA A 62 0.448 -6.910 -6.022 1.00 0.00 O ATOM 942 CB ALA A 62 1.264 -4.300 -4.146 1.00 0.00 C ATOM 0 H ALA A 62 2.271 -5.523 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 62 2.448 -6.035 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.606 -4.431 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.067 -3.610 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.693 -3.895 -4.981 1.00 0.00 H new ATOM 948 N GLU A 63 0.144 -7.231 -3.819 1.00 0.00 N ATOM 949 CA GLU A 63 -0.953 -8.181 -3.928 1.00 0.00 C ATOM 950 C GLU A 63 -1.772 -8.132 -2.637 1.00 0.00 C ATOM 951 O GLU A 63 -1.219 -7.932 -1.554 1.00 0.00 O ATOM 952 CB GLU A 63 -0.460 -9.607 -4.234 1.00 0.00 C ATOM 953 CG GLU A 63 0.239 -10.347 -3.072 1.00 0.00 C ATOM 954 CD GLU A 63 0.398 -11.847 -3.306 1.00 0.00 C ATOM 955 OE1 GLU A 63 -0.317 -12.426 -4.165 1.00 0.00 O ATOM 956 OE2 GLU A 63 1.190 -12.495 -2.587 1.00 0.00 O ATOM 0 H GLU A 63 0.404 -7.032 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.584 -7.898 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.313 -10.203 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.231 -9.558 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.223 -9.907 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.332 -10.190 -2.157 1.00 0.00 H new ATOM 963 N VAL A 64 -3.090 -8.285 -2.728 1.00 0.00 N ATOM 964 CA VAL A 64 -3.966 -8.275 -1.567 1.00 0.00 C ATOM 965 C VAL A 64 -3.864 -9.637 -0.871 1.00 0.00 C ATOM 966 O VAL A 64 -3.510 -10.644 -1.493 1.00 0.00 O ATOM 967 CB VAL A 64 -5.407 -7.934 -2.015 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.097 -9.066 -2.793 1.00 0.00 C ATOM 969 CG2 VAL A 64 -6.296 -7.507 -0.836 1.00 0.00 C ATOM 0 H VAL A 64 -3.579 -8.420 -3.613 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.669 -7.511 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.288 -7.092 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.103 -8.754 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.523 -9.292 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.155 -9.956 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.298 -7.278 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.351 -8.318 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.871 -6.622 -0.362 1.00 0.00 H new ATOM 979 N LEU A 65 -4.232 -9.678 0.409 1.00 0.00 N ATOM 980 CA LEU A 65 -4.239 -10.879 1.244 1.00 0.00 C ATOM 981 C LEU A 65 -5.669 -11.160 1.738 1.00 0.00 C ATOM 982 O LEU A 65 -5.870 -11.765 2.795 1.00 0.00 O ATOM 983 CB LEU A 65 -3.204 -10.752 2.372 1.00 0.00 C ATOM 984 CG LEU A 65 -1.748 -10.598 1.882 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.844 -10.460 3.108 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.284 -11.790 1.036 1.00 0.00 C ATOM 0 H LEU A 65 -4.544 -8.847 0.911 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.937 -11.748 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.460 -9.891 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.269 -11.633 3.010 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.693 -9.715 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.191 -10.350 2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.141 -9.582 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.937 -11.350 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.254 -11.631 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.343 -12.702 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.925 -11.885 0.159 1.00 0.00 H new ATOM 998 N ALA A 66 -6.667 -10.614 1.035 1.00 0.00 N ATOM 999 CA ALA A 66 -8.087 -10.763 1.304 1.00 0.00 C ATOM 1000 C ALA A 66 -8.512 -12.069 0.652 1.00 0.00 C ATOM 1001 O ALA A 66 -9.044 -12.945 1.367 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.870 -9.570 0.744 1.00 0.00 C ATOM 0 H ALA A 66 -6.488 -10.026 0.221 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.291 -10.787 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.931 -9.700 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.517 -8.651 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.719 -9.510 -0.334 1.00 0.00 H new TER 1008 ALA A 66