USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=9 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 167:sc= -0.714 USER MOD Set 1.2: A 60 TYR OH : rot -71:sc= 0.365 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= -0.162 USER MOD Set 2.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 57:sc= 0.168 USER MOD Single : A 11 CYS SG : rot 22:sc= 0.00209 USER MOD Single : A 12 ASN : amide:sc= -0.0579 X(o=-0.058,f=-0.029) USER MOD Single : A 13 HIS : no HD1:sc=-0.00624 X(o=-0.0062,f=-0.11) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0279 (180deg=-0.215) 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 150:sc= 0.27 USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.067 (180deg=-0.374) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.11) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.159 7.323 2.105 1.00 0.00 N ATOM 2 CA MET A 1 9.808 7.890 2.188 1.00 0.00 C ATOM 3 C MET A 1 9.220 7.943 0.792 1.00 0.00 C ATOM 4 O MET A 1 9.634 8.769 -0.026 1.00 0.00 O ATOM 5 CB MET A 1 9.818 9.280 2.831 1.00 0.00 C ATOM 6 CG MET A 1 9.806 9.148 4.355 1.00 0.00 C ATOM 7 SD MET A 1 9.401 10.681 5.221 1.00 0.00 S ATOM 8 CE MET A 1 10.896 11.647 4.867 1.00 0.00 C ATOM 0 H1 MET A 1 11.577 7.280 3.057 1.00 0.00 H new ATOM 0 H2 MET A 1 11.109 6.364 1.705 1.00 0.00 H new ATOM 0 H3 MET A 1 11.750 7.922 1.494 1.00 0.00 H new ATOM 0 HA MET A 1 9.192 7.255 2.825 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.702 9.832 2.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.950 9.850 2.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.084 8.381 4.638 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.785 8.802 4.687 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.813 12.630 5.331 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.767 11.129 5.268 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.007 11.764 3.789 1.00 0.00 H new ATOM 18 N LEU A 2 8.294 7.034 0.499 1.00 0.00 N ATOM 19 CA LEU A 2 7.609 6.932 -0.787 1.00 0.00 C ATOM 20 C LEU A 2 6.112 6.933 -0.500 1.00 0.00 C ATOM 21 O LEU A 2 5.709 6.739 0.649 1.00 0.00 O ATOM 22 CB LEU A 2 8.053 5.651 -1.534 1.00 0.00 C ATOM 23 CG LEU A 2 8.523 5.852 -2.989 1.00 0.00 C ATOM 24 CD1 LEU A 2 7.455 6.496 -3.882 1.00 0.00 C ATOM 25 CD2 LEU A 2 9.825 6.659 -3.057 1.00 0.00 C ATOM 0 H LEU A 2 7.990 6.327 1.169 1.00 0.00 H new ATOM 0 HA LEU A 2 7.860 7.771 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.863 5.187 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.221 4.947 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 2 8.709 4.851 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.847 6.611 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.569 5.861 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.189 7.475 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.124 6.780 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.669 7.640 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.609 6.132 -2.513 1.00 0.00 H new ATOM 37 N LYS A 3 5.279 7.147 -1.518 1.00 0.00 N ATOM 38 CA LYS A 3 3.833 7.151 -1.347 1.00 0.00 C ATOM 39 C LYS A 3 3.218 6.316 -2.467 1.00 0.00 C ATOM 40 O LYS A 3 3.697 6.317 -3.604 1.00 0.00 O ATOM 41 CB LYS A 3 3.319 8.592 -1.178 1.00 0.00 C ATOM 42 CG LYS A 3 3.431 9.474 -2.425 1.00 0.00 C ATOM 43 CD LYS A 3 2.909 10.898 -2.175 1.00 0.00 C ATOM 44 CE LYS A 3 3.941 11.827 -1.519 1.00 0.00 C ATOM 45 NZ LYS A 3 4.871 12.418 -2.507 1.00 0.00 N ATOM 0 H LYS A 3 5.587 7.321 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 3 3.514 6.669 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.274 8.554 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.872 9.065 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.473 9.521 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.869 9.020 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.594 11.332 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.025 10.845 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.423 12.625 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.510 11.268 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.549 13.037 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.386 11.659 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.332 12.974 -3.201 1.00 0.00 H new ATOM 59 N LEU A 4 2.174 5.566 -2.130 1.00 0.00 N ATOM 60 CA LEU A 4 1.449 4.675 -3.024 1.00 0.00 C ATOM 61 C LEU A 4 -0.017 5.079 -3.043 1.00 0.00 C ATOM 62 O LEU A 4 -0.611 5.360 -1.998 1.00 0.00 O ATOM 63 CB LEU A 4 1.606 3.232 -2.502 1.00 0.00 C ATOM 64 CG LEU A 4 0.938 2.145 -3.367 1.00 0.00 C ATOM 65 CD1 LEU A 4 1.712 1.915 -4.668 1.00 0.00 C ATOM 66 CD2 LEU A 4 0.854 0.825 -2.594 1.00 0.00 C ATOM 0 H LEU A 4 1.794 5.564 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 4 1.842 4.737 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.669 3.006 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.190 3.179 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.065 2.493 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.215 1.143 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.745 2.842 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.728 1.596 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.380 0.067 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.858 0.497 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.264 0.970 -1.689 1.00 0.00 H new ATOM 78 N LYS A 5 -0.585 5.217 -4.233 1.00 0.00 N ATOM 79 CA LYS A 5 -1.985 5.553 -4.436 1.00 0.00 C ATOM 80 C LYS A 5 -2.686 4.206 -4.416 1.00 0.00 C ATOM 81 O LYS A 5 -2.188 3.266 -5.043 1.00 0.00 O ATOM 82 CB LYS A 5 -2.198 6.234 -5.790 1.00 0.00 C ATOM 83 CG LYS A 5 -1.423 7.556 -5.909 1.00 0.00 C ATOM 84 CD LYS A 5 -1.474 8.115 -7.333 1.00 0.00 C ATOM 85 CE LYS A 5 -2.904 8.416 -7.796 1.00 0.00 C ATOM 86 NZ LYS A 5 -3.423 7.418 -8.755 1.00 0.00 N ATOM 0 H LYS A 5 -0.071 5.095 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.358 6.246 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.884 5.559 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.261 6.425 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.841 8.286 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.385 7.397 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.880 9.028 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.017 7.400 -8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.561 8.453 -6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.930 9.403 -8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.392 7.674 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.816 7.399 -9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.427 6.478 -8.310 1.00 0.00 H new ATOM 100 N VAL A 6 -3.821 4.117 -3.737 1.00 0.00 N ATOM 101 CA VAL A 6 -4.619 2.915 -3.581 1.00 0.00 C ATOM 102 C VAL A 6 -6.030 3.241 -4.072 1.00 0.00 C ATOM 103 O VAL A 6 -6.574 4.292 -3.726 1.00 0.00 O ATOM 104 CB VAL A 6 -4.585 2.498 -2.092 1.00 0.00 C ATOM 105 CG1 VAL A 6 -5.132 1.083 -1.922 1.00 0.00 C ATOM 106 CG2 VAL A 6 -3.175 2.526 -1.464 1.00 0.00 C ATOM 0 H VAL A 6 -4.227 4.921 -3.258 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.237 2.075 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.201 3.236 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.101 0.805 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.162 1.046 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.524 0.386 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.236 2.221 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.522 1.841 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.770 3.536 -1.524 1.00 0.00 H new ATOM 116 N GLU A 7 -6.620 2.374 -4.895 1.00 0.00 N ATOM 117 CA GLU A 7 -7.958 2.548 -5.444 1.00 0.00 C ATOM 118 C GLU A 7 -8.643 1.177 -5.569 1.00 0.00 C ATOM 119 O GLU A 7 -7.988 0.127 -5.529 1.00 0.00 O ATOM 120 CB GLU A 7 -7.841 3.221 -6.831 1.00 0.00 C ATOM 121 CG GLU A 7 -7.858 4.760 -6.812 1.00 0.00 C ATOM 122 CD GLU A 7 -9.238 5.335 -6.482 1.00 0.00 C ATOM 123 OE1 GLU A 7 -10.184 5.138 -7.282 1.00 0.00 O ATOM 124 OE2 GLU A 7 -9.410 5.998 -5.431 1.00 0.00 O ATOM 0 H GLU A 7 -6.168 1.513 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.558 3.177 -4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.916 2.889 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.661 2.871 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.136 5.118 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.537 5.134 -7.784 1.00 0.00 H new ATOM 131 N GLY A 8 -9.969 1.194 -5.734 1.00 0.00 N ATOM 132 CA GLY A 8 -10.809 0.019 -5.899 1.00 0.00 C ATOM 133 C GLY A 8 -11.891 -0.128 -4.824 1.00 0.00 C ATOM 134 O GLY A 8 -12.772 0.729 -4.677 1.00 0.00 O ATOM 0 H GLY A 8 -10.501 2.064 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.287 0.061 -6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.179 -0.870 -5.890 1.00 0.00 H new ATOM 138 N MET A 9 -11.873 -1.269 -4.145 1.00 0.00 N ATOM 139 CA MET A 9 -12.761 -1.737 -3.094 1.00 0.00 C ATOM 140 C MET A 9 -12.597 -0.909 -1.816 1.00 0.00 C ATOM 141 O MET A 9 -11.890 -1.283 -0.881 1.00 0.00 O ATOM 142 CB MET A 9 -12.512 -3.239 -2.852 1.00 0.00 C ATOM 143 CG MET A 9 -12.838 -4.137 -4.063 1.00 0.00 C ATOM 144 SD MET A 9 -11.705 -4.023 -5.486 1.00 0.00 S ATOM 145 CE MET A 9 -12.406 -5.258 -6.606 1.00 0.00 C ATOM 0 H MET A 9 -11.154 -1.965 -4.342 1.00 0.00 H new ATOM 0 HA MET A 9 -13.796 -1.606 -3.410 1.00 0.00 H new ATOM 0 HB2 MET A 9 -11.467 -3.383 -2.578 1.00 0.00 H new ATOM 0 HB3 MET A 9 -13.112 -3.563 -2.002 1.00 0.00 H new ATOM 0 HG2 MET A 9 -12.858 -5.173 -3.724 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.844 -3.895 -4.407 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.814 -5.298 -7.520 1.00 0.00 H new ATOM 0 HE2 MET A 9 -12.394 -6.235 -6.123 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.433 -4.986 -6.850 1.00 0.00 H new ATOM 155 N THR A 10 -13.276 0.232 -1.780 1.00 0.00 N ATOM 156 CA THR A 10 -13.320 1.208 -0.705 1.00 0.00 C ATOM 157 C THR A 10 -14.040 0.640 0.527 1.00 0.00 C ATOM 158 O THR A 10 -15.214 0.930 0.785 1.00 0.00 O ATOM 159 CB THR A 10 -13.950 2.505 -1.263 1.00 0.00 C ATOM 160 OG1 THR A 10 -14.919 2.237 -2.270 1.00 0.00 O ATOM 161 CG2 THR A 10 -12.853 3.348 -1.901 1.00 0.00 C ATOM 0 H THR A 10 -13.856 0.519 -2.568 1.00 0.00 H new ATOM 0 HA THR A 10 -12.318 1.448 -0.351 1.00 0.00 H new ATOM 0 HB THR A 10 -14.434 3.019 -0.433 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.613 1.648 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.285 4.266 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.102 3.595 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.387 2.786 -2.710 1.00 0.00 H new ATOM 169 N CYS A 11 -13.326 -0.185 1.293 1.00 0.00 N ATOM 170 CA CYS A 11 -13.785 -0.831 2.510 1.00 0.00 C ATOM 171 C CYS A 11 -12.678 -0.772 3.559 1.00 0.00 C ATOM 172 O CYS A 11 -11.492 -0.610 3.254 1.00 0.00 O ATOM 173 CB CYS A 11 -14.206 -2.275 2.212 1.00 0.00 C ATOM 174 SG CYS A 11 -15.921 -2.331 1.650 1.00 0.00 S ATOM 0 H CYS A 11 -12.363 -0.429 1.064 1.00 0.00 H new ATOM 0 HA CYS A 11 -14.658 -0.309 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.553 -2.700 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -14.090 -2.886 3.107 1.00 0.00 H new ATOM 0 HG CYS A 11 -16.265 -1.165 1.189 1.00 0.00 H new ATOM 180 N ASN A 12 -13.095 -0.979 4.806 1.00 0.00 N ATOM 181 CA ASN A 12 -12.265 -0.949 6.002 1.00 0.00 C ATOM 182 C ASN A 12 -11.292 -2.119 6.075 1.00 0.00 C ATOM 183 O ASN A 12 -10.082 -1.909 6.111 1.00 0.00 O ATOM 184 CB ASN A 12 -13.158 -0.896 7.255 1.00 0.00 C ATOM 185 CG ASN A 12 -14.236 0.163 7.119 1.00 0.00 C ATOM 186 OD1 ASN A 12 -13.953 1.355 7.181 1.00 0.00 O ATOM 187 ND2 ASN A 12 -15.463 -0.243 6.835 1.00 0.00 N ATOM 0 H ASN A 12 -14.072 -1.182 5.017 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.654 -0.048 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.620 -1.870 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.546 -0.685 8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.199 0.441 6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.672 -1.240 6.789 1.00 0.00 H new ATOM 194 N HIS A 13 -11.789 -3.363 6.047 1.00 0.00 N ATOM 195 CA HIS A 13 -10.919 -4.535 6.142 1.00 0.00 C ATOM 196 C HIS A 13 -9.885 -4.639 5.012 1.00 0.00 C ATOM 197 O HIS A 13 -8.889 -5.347 5.173 1.00 0.00 O ATOM 198 CB HIS A 13 -11.749 -5.820 6.271 1.00 0.00 C ATOM 199 CG HIS A 13 -10.958 -7.014 6.759 1.00 0.00 C ATOM 200 ND1 HIS A 13 -9.947 -6.995 7.691 1.00 0.00 N ATOM 201 CD2 HIS A 13 -11.113 -8.313 6.359 1.00 0.00 C ATOM 202 CE1 HIS A 13 -9.473 -8.243 7.817 1.00 0.00 C ATOM 203 NE2 HIS A 13 -10.160 -9.089 7.030 1.00 0.00 N ATOM 0 H HIS A 13 -12.782 -3.579 5.960 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.333 -4.404 7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.576 -5.639 6.957 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.186 -6.058 5.301 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.842 -8.676 5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.654 -8.528 8.461 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.016 -10.095 6.940 1.00 0.00 H new ATOM 211 N CYS A 14 -10.068 -3.957 3.879 1.00 0.00 N ATOM 212 CA CYS A 14 -9.102 -4.011 2.787 1.00 0.00 C ATOM 213 C CYS A 14 -7.761 -3.427 3.254 1.00 0.00 C ATOM 214 O CYS A 14 -6.700 -3.944 2.900 1.00 0.00 O ATOM 215 CB CYS A 14 -9.636 -3.238 1.584 1.00 0.00 C ATOM 216 SG CYS A 14 -11.262 -3.860 1.093 1.00 0.00 S ATOM 0 H CYS A 14 -10.876 -3.362 3.697 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.946 -5.048 2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.706 -2.178 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.940 -3.328 0.750 1.00 0.00 H new ATOM 0 HG CYS A 14 -11.815 -3.024 0.265 1.00 0.00 H new ATOM 222 N VAL A 15 -7.805 -2.414 4.132 1.00 0.00 N ATOM 223 CA VAL A 15 -6.628 -1.751 4.685 1.00 0.00 C ATOM 224 C VAL A 15 -5.743 -2.780 5.404 1.00 0.00 C ATOM 225 O VAL A 15 -4.515 -2.701 5.336 1.00 0.00 O ATOM 226 CB VAL A 15 -7.061 -0.582 5.599 1.00 0.00 C ATOM 227 CG1 VAL A 15 -5.849 0.160 6.180 1.00 0.00 C ATOM 228 CG2 VAL A 15 -7.936 0.432 4.840 1.00 0.00 C ATOM 0 H VAL A 15 -8.682 -2.029 4.481 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.028 -1.318 3.885 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.637 -1.026 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.192 0.975 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.247 -0.532 6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.246 0.564 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.223 1.241 5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.374 0.841 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.832 -0.066 4.469 1.00 0.00 H new ATOM 238 N MET A 16 -6.353 -3.737 6.118 1.00 0.00 N ATOM 239 CA MET A 16 -5.633 -4.785 6.838 1.00 0.00 C ATOM 240 C MET A 16 -4.845 -5.632 5.837 1.00 0.00 C ATOM 241 O MET A 16 -3.663 -5.916 6.054 1.00 0.00 O ATOM 242 CB MET A 16 -6.618 -5.650 7.647 1.00 0.00 C ATOM 243 CG MET A 16 -5.945 -6.828 8.363 1.00 0.00 C ATOM 244 SD MET A 16 -4.554 -6.418 9.446 1.00 0.00 S ATOM 245 CE MET A 16 -5.436 -5.592 10.795 1.00 0.00 C ATOM 0 H MET A 16 -7.367 -3.802 6.210 1.00 0.00 H new ATOM 0 HA MET A 16 -4.934 -4.334 7.542 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.119 -5.024 8.385 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.389 -6.033 6.978 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.700 -7.345 8.956 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.595 -7.533 7.608 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.722 -5.273 11.555 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.965 -4.722 10.405 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.153 -6.283 11.238 1.00 0.00 H new ATOM 255 N ALA A 17 -5.503 -6.038 4.748 1.00 0.00 N ATOM 256 CA ALA A 17 -4.875 -6.851 3.725 1.00 0.00 C ATOM 257 C ALA A 17 -3.676 -6.120 3.138 1.00 0.00 C ATOM 258 O ALA A 17 -2.588 -6.680 3.148 1.00 0.00 O ATOM 259 CB ALA A 17 -5.878 -7.253 2.645 1.00 0.00 C ATOM 0 H ALA A 17 -6.479 -5.810 4.559 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.517 -7.773 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.377 -7.862 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.688 -7.827 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.285 -6.358 2.175 1.00 0.00 H new ATOM 265 N VAL A 18 -3.820 -4.871 2.679 1.00 0.00 N ATOM 266 CA VAL A 18 -2.667 -4.180 2.101 1.00 0.00 C ATOM 267 C VAL A 18 -1.536 -3.950 3.110 1.00 0.00 C ATOM 268 O VAL A 18 -0.388 -4.193 2.749 1.00 0.00 O ATOM 269 CB VAL A 18 -3.051 -2.911 1.320 1.00 0.00 C ATOM 270 CG1 VAL A 18 -3.872 -3.289 0.082 1.00 0.00 C ATOM 271 CG2 VAL A 18 -3.824 -1.867 2.133 1.00 0.00 C ATOM 0 H VAL A 18 -4.689 -4.337 2.695 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.259 -4.865 1.358 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.105 -2.444 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.140 -2.386 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.281 -3.942 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.779 -3.809 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.051 -1.009 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.753 -2.305 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.218 -1.544 2.980 1.00 0.00 H new ATOM 281 N THR A 19 -1.790 -3.524 4.356 1.00 0.00 N ATOM 282 CA THR A 19 -0.681 -3.312 5.293 1.00 0.00 C ATOM 283 C THR A 19 0.077 -4.631 5.518 1.00 0.00 C ATOM 284 O THR A 19 1.310 -4.647 5.463 1.00 0.00 O ATOM 285 CB THR A 19 -1.146 -2.595 6.583 1.00 0.00 C ATOM 286 OG1 THR A 19 -0.051 -2.222 7.391 1.00 0.00 O ATOM 287 CG2 THR A 19 -2.073 -3.400 7.489 1.00 0.00 C ATOM 0 H THR A 19 -2.719 -3.326 4.728 1.00 0.00 H new ATOM 0 HA THR A 19 0.041 -2.622 4.856 1.00 0.00 H new ATOM 0 HB THR A 19 -1.698 -1.740 6.192 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.378 -1.770 8.197 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.337 -2.803 8.362 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.979 -3.662 6.942 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.567 -4.310 7.811 1.00 0.00 H new ATOM 295 N LYS A 20 -0.632 -5.749 5.717 1.00 0.00 N ATOM 296 CA LYS A 20 -0.008 -7.051 5.947 1.00 0.00 C ATOM 297 C LYS A 20 0.687 -7.574 4.690 1.00 0.00 C ATOM 298 O LYS A 20 1.849 -7.976 4.772 1.00 0.00 O ATOM 299 CB LYS A 20 -1.062 -8.040 6.468 1.00 0.00 C ATOM 300 CG LYS A 20 -1.560 -7.676 7.878 1.00 0.00 C ATOM 301 CD LYS A 20 -0.595 -8.103 8.996 1.00 0.00 C ATOM 302 CE LYS A 20 -0.636 -9.603 9.310 1.00 0.00 C ATOM 303 NZ LYS A 20 -1.947 -10.026 9.840 1.00 0.00 N ATOM 0 H LYS A 20 -1.652 -5.773 5.723 1.00 0.00 H new ATOM 0 HA LYS A 20 0.769 -6.938 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.908 -8.061 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.638 -9.044 6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.715 -6.598 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.529 -8.146 8.046 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.421 -7.829 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.833 -7.545 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.412 -10.168 8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.142 -9.842 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.859 -10.968 10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.267 -9.345 10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.639 -10.063 9.065 1.00 0.00 H new ATOM 317 N ALA A 21 0.022 -7.550 3.534 1.00 0.00 N ATOM 318 CA ALA A 21 0.578 -8.027 2.273 1.00 0.00 C ATOM 319 C ALA A 21 1.817 -7.228 1.876 1.00 0.00 C ATOM 320 O ALA A 21 2.733 -7.790 1.281 1.00 0.00 O ATOM 321 CB ALA A 21 -0.477 -7.961 1.163 1.00 0.00 C ATOM 0 H ALA A 21 -0.930 -7.194 3.449 1.00 0.00 H new ATOM 0 HA ALA A 21 0.878 -9.066 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.045 -8.321 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.329 -8.585 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.808 -6.930 1.037 1.00 0.00 H new ATOM 327 N LEU A 22 1.877 -5.931 2.201 1.00 0.00 N ATOM 328 CA LEU A 22 3.038 -5.121 1.864 1.00 0.00 C ATOM 329 C LEU A 22 4.213 -5.488 2.767 1.00 0.00 C ATOM 330 O LEU A 22 5.281 -5.844 2.265 1.00 0.00 O ATOM 331 CB LEU A 22 2.720 -3.619 1.989 1.00 0.00 C ATOM 332 CG LEU A 22 1.904 -3.033 0.820 1.00 0.00 C ATOM 333 CD1 LEU A 22 1.784 -1.518 0.999 1.00 0.00 C ATOM 334 CD2 LEU A 22 2.544 -3.352 -0.531 1.00 0.00 C ATOM 0 H LEU A 22 1.138 -5.429 2.693 1.00 0.00 H new ATOM 0 HA LEU A 22 3.307 -5.325 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.171 -3.454 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.657 -3.069 2.071 1.00 0.00 H new ATOM 0 HG LEU A 22 0.914 -3.490 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.208 -1.099 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.280 -1.302 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.779 -1.073 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.940 -2.922 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.548 -2.929 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.601 -4.433 -0.660 1.00 0.00 H new ATOM 346 N LYS A 23 4.023 -5.490 4.092 1.00 0.00 N ATOM 347 CA LYS A 23 5.095 -5.821 5.038 1.00 0.00 C ATOM 348 C LYS A 23 5.516 -7.297 5.011 1.00 0.00 C ATOM 349 O LYS A 23 6.440 -7.679 5.729 1.00 0.00 O ATOM 350 CB LYS A 23 4.791 -5.274 6.442 1.00 0.00 C ATOM 351 CG LYS A 23 3.766 -6.081 7.252 1.00 0.00 C ATOM 352 CD LYS A 23 3.429 -5.382 8.579 1.00 0.00 C ATOM 353 CE LYS A 23 2.467 -4.202 8.396 1.00 0.00 C ATOM 354 NZ LYS A 23 2.269 -3.453 9.653 1.00 0.00 N ATOM 0 H LYS A 23 3.132 -5.265 4.535 1.00 0.00 H new ATOM 0 HA LYS A 23 5.989 -5.301 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.722 -5.230 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.428 -4.251 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.856 -6.211 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.161 -7.077 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.985 -6.105 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.349 -5.027 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.857 -3.531 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.506 -4.570 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.612 -2.664 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.873 -4.087 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.182 -3.080 9.982 1.00 0.00 H new ATOM 368 N LYS A 24 4.844 -8.141 4.215 1.00 0.00 N ATOM 369 CA LYS A 24 5.158 -9.562 4.096 1.00 0.00 C ATOM 370 C LYS A 24 6.631 -9.771 3.751 1.00 0.00 C ATOM 371 O LYS A 24 7.247 -10.711 4.261 1.00 0.00 O ATOM 372 CB LYS A 24 4.217 -10.251 3.083 1.00 0.00 C ATOM 373 CG LYS A 24 4.665 -10.245 1.608 1.00 0.00 C ATOM 374 CD LYS A 24 3.623 -10.929 0.711 1.00 0.00 C ATOM 375 CE LYS A 24 4.068 -10.944 -0.755 1.00 0.00 C ATOM 376 NZ LYS A 24 3.878 -9.636 -1.410 1.00 0.00 N ATOM 0 H LYS A 24 4.060 -7.848 3.632 1.00 0.00 H new ATOM 0 HA LYS A 24 4.988 -10.034 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.082 -11.287 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.241 -9.770 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.818 -9.218 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.623 -10.757 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.461 -11.951 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.669 -10.409 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.119 -11.227 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.504 -11.704 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.193 -9.694 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.871 -9.376 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.436 -8.914 -0.911 1.00 0.00 H new ATOM 390 N VAL A 25 7.179 -8.943 2.862 1.00 0.00 N ATOM 391 CA VAL A 25 8.565 -9.031 2.440 1.00 0.00 C ATOM 392 C VAL A 25 9.410 -8.251 3.459 1.00 0.00 C ATOM 393 O VAL A 25 8.988 -7.159 3.870 1.00 0.00 O ATOM 394 CB VAL A 25 8.669 -8.515 0.986 1.00 0.00 C ATOM 395 CG1 VAL A 25 8.464 -7.002 0.834 1.00 0.00 C ATOM 396 CG2 VAL A 25 9.999 -8.891 0.337 1.00 0.00 C ATOM 0 H VAL A 25 6.663 -8.186 2.413 1.00 0.00 H new ATOM 0 HA VAL A 25 8.947 -10.052 2.425 1.00 0.00 H new ATOM 0 HB VAL A 25 7.846 -9.014 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.554 -6.726 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.473 -6.731 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.220 -6.472 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.027 -8.508 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.819 -8.458 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.102 -9.976 0.320 1.00 0.00 H new ATOM 406 N PRO A 26 10.568 -8.775 3.899 1.00 0.00 N ATOM 407 CA PRO A 26 11.422 -8.078 4.848 1.00 0.00 C ATOM 408 C PRO A 26 11.932 -6.825 4.144 1.00 0.00 C ATOM 409 O PRO A 26 12.605 -6.932 3.118 1.00 0.00 O ATOM 410 CB PRO A 26 12.543 -9.055 5.216 1.00 0.00 C ATOM 411 CG PRO A 26 12.624 -9.981 4.000 1.00 0.00 C ATOM 412 CD PRO A 26 11.182 -10.034 3.500 1.00 0.00 C ATOM 0 HA PRO A 26 10.920 -7.768 5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.486 -8.537 5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.311 -9.608 6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.299 -9.588 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.992 -10.970 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.149 -10.157 2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.650 -10.881 3.933 1.00 0.00 H new ATOM 420 N GLY A 27 11.555 -5.639 4.621 1.00 0.00 N ATOM 421 CA GLY A 27 12.007 -4.418 3.989 1.00 0.00 C ATOM 422 C GLY A 27 11.517 -3.172 4.702 1.00 0.00 C ATOM 423 O GLY A 27 12.150 -2.704 5.647 1.00 0.00 O ATOM 0 H GLY A 27 10.948 -5.507 5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.097 -4.410 3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.661 -4.400 2.955 1.00 0.00 H new ATOM 427 N VAL A 28 10.379 -2.637 4.266 1.00 0.00 N ATOM 428 CA VAL A 28 9.815 -1.415 4.821 1.00 0.00 C ATOM 429 C VAL A 28 9.383 -1.523 6.283 1.00 0.00 C ATOM 430 O VAL A 28 9.870 -0.755 7.109 1.00 0.00 O ATOM 431 CB VAL A 28 8.627 -0.946 3.951 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.236 0.495 4.258 1.00 0.00 C ATOM 433 CG2 VAL A 28 8.887 -1.021 2.442 1.00 0.00 C ATOM 0 H VAL A 28 9.822 -3.043 3.514 1.00 0.00 H new ATOM 0 HA VAL A 28 10.620 -0.680 4.806 1.00 0.00 H new ATOM 0 HB VAL A 28 7.828 -1.641 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.397 0.787 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.947 0.578 5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.084 1.152 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.005 -0.675 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.739 -0.390 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.102 -2.052 2.161 1.00 0.00 H new ATOM 443 N GLU A 29 8.489 -2.462 6.601 1.00 0.00 N ATOM 444 CA GLU A 29 7.899 -2.716 7.918 1.00 0.00 C ATOM 445 C GLU A 29 6.996 -1.550 8.397 1.00 0.00 C ATOM 446 O GLU A 29 5.979 -1.809 9.049 1.00 0.00 O ATOM 447 CB GLU A 29 8.969 -3.181 8.928 1.00 0.00 C ATOM 448 CG GLU A 29 8.434 -3.674 10.284 1.00 0.00 C ATOM 449 CD GLU A 29 7.690 -5.015 10.261 1.00 0.00 C ATOM 450 OE1 GLU A 29 6.949 -5.313 9.302 1.00 0.00 O ATOM 451 OE2 GLU A 29 7.739 -5.745 11.277 1.00 0.00 O ATOM 0 H GLU A 29 8.134 -3.109 5.897 1.00 0.00 H new ATOM 0 HA GLU A 29 7.208 -3.555 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.548 -3.984 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.657 -2.355 9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.273 -3.757 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.763 -2.915 10.686 1.00 0.00 H new ATOM 458 N LYS A 30 7.279 -0.290 8.034 1.00 0.00 N ATOM 459 CA LYS A 30 6.519 0.912 8.387 1.00 0.00 C ATOM 460 C LYS A 30 5.674 1.266 7.157 1.00 0.00 C ATOM 461 O LYS A 30 6.194 1.814 6.181 1.00 0.00 O ATOM 462 CB LYS A 30 7.529 2.022 8.747 1.00 0.00 C ATOM 463 CG LYS A 30 6.952 3.206 9.542 1.00 0.00 C ATOM 464 CD LYS A 30 7.029 2.962 11.055 1.00 0.00 C ATOM 465 CE LYS A 30 6.817 4.264 11.839 1.00 0.00 C ATOM 466 NZ LYS A 30 6.992 4.078 13.296 1.00 0.00 N ATOM 0 H LYS A 30 8.090 -0.074 7.454 1.00 0.00 H new ATOM 0 HA LYS A 30 5.860 0.775 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.340 1.579 9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.967 2.404 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.499 4.115 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.914 3.369 9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.274 2.232 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.000 2.536 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.520 5.017 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.815 4.645 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.839 4.984 13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.304 3.379 13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.956 3.740 13.489 1.00 0.00 H new ATOM 480 N VAL A 31 4.378 0.957 7.183 1.00 0.00 N ATOM 481 CA VAL A 31 3.448 1.196 6.084 1.00 0.00 C ATOM 482 C VAL A 31 2.144 1.744 6.677 1.00 0.00 C ATOM 483 O VAL A 31 1.573 1.142 7.593 1.00 0.00 O ATOM 484 CB VAL A 31 3.289 -0.110 5.257 1.00 0.00 C ATOM 485 CG1 VAL A 31 4.561 -0.455 4.463 1.00 0.00 C ATOM 486 CG2 VAL A 31 2.971 -1.363 6.090 1.00 0.00 C ATOM 0 H VAL A 31 3.936 0.522 7.992 1.00 0.00 H new ATOM 0 HA VAL A 31 3.813 1.945 5.381 1.00 0.00 H new ATOM 0 HB VAL A 31 2.446 0.122 4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.401 -1.375 3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.790 0.357 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.394 -0.591 5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.878 -2.225 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.775 -1.539 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.034 -1.215 6.627 1.00 0.00 H new ATOM 496 N GLU A 32 1.665 2.884 6.175 1.00 0.00 N ATOM 497 CA GLU A 32 0.459 3.571 6.633 1.00 0.00 C ATOM 498 C GLU A 32 -0.480 3.905 5.477 1.00 0.00 C ATOM 499 O GLU A 32 -0.024 4.112 4.350 1.00 0.00 O ATOM 500 CB GLU A 32 0.832 4.830 7.420 1.00 0.00 C ATOM 501 CG GLU A 32 1.613 4.513 8.700 1.00 0.00 C ATOM 502 CD GLU A 32 1.570 5.703 9.655 1.00 0.00 C ATOM 503 OE1 GLU A 32 2.389 6.633 9.472 1.00 0.00 O ATOM 504 OE2 GLU A 32 0.722 5.672 10.578 1.00 0.00 O ATOM 0 H GLU A 32 2.126 3.372 5.407 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.080 2.892 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.429 5.486 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.076 5.375 7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.189 3.634 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.647 4.273 8.453 1.00 0.00 H new ATOM 511 N VAL A 33 -1.792 3.841 5.723 1.00 0.00 N ATOM 512 CA VAL A 33 -2.856 4.132 4.763 1.00 0.00 C ATOM 513 C VAL A 33 -3.801 5.145 5.422 1.00 0.00 C ATOM 514 O VAL A 33 -4.007 5.098 6.643 1.00 0.00 O ATOM 515 CB VAL A 33 -3.591 2.833 4.359 1.00 0.00 C ATOM 516 CG1 VAL A 33 -4.596 3.068 3.221 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.632 1.715 3.913 1.00 0.00 C ATOM 0 H VAL A 33 -2.155 3.573 6.638 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.451 4.554 3.844 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.113 2.520 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.088 2.128 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.343 3.795 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.071 3.447 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.207 0.829 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.056 2.052 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.953 1.471 4.730 1.00 0.00 H new ATOM 527 N SER A 34 -4.330 6.085 4.643 1.00 0.00 N ATOM 528 CA SER A 34 -5.254 7.109 5.097 1.00 0.00 C ATOM 529 C SER A 34 -6.645 6.496 5.254 1.00 0.00 C ATOM 530 O SER A 34 -7.092 5.690 4.435 1.00 0.00 O ATOM 531 CB SER A 34 -5.241 8.256 4.078 1.00 0.00 C ATOM 532 OG SER A 34 -6.290 9.197 4.251 1.00 0.00 O ATOM 0 H SER A 34 -4.118 6.153 3.648 1.00 0.00 H new ATOM 0 HA SER A 34 -4.959 7.507 6.068 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.286 8.777 4.145 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.306 7.837 3.074 1.00 0.00 H new ATOM 0 HG SER A 34 -5.991 10.080 3.949 1.00 0.00 H new ATOM 538 N LEU A 35 -7.327 6.846 6.340 1.00 0.00 N ATOM 539 CA LEU A 35 -8.674 6.376 6.610 1.00 0.00 C ATOM 540 C LEU A 35 -9.646 7.070 5.658 1.00 0.00 C ATOM 541 O LEU A 35 -10.479 6.402 5.038 1.00 0.00 O ATOM 542 CB LEU A 35 -9.070 6.685 8.065 1.00 0.00 C ATOM 543 CG LEU A 35 -8.476 5.708 9.098 1.00 0.00 C ATOM 544 CD1 LEU A 35 -8.659 6.282 10.507 1.00 0.00 C ATOM 545 CD2 LEU A 35 -9.144 4.327 9.031 1.00 0.00 C ATOM 0 H LEU A 35 -6.955 7.467 7.059 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.712 5.297 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.749 7.697 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.157 6.667 8.146 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.418 5.585 8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.239 5.592 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.147 7.242 10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.721 6.422 10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.695 3.669 9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.210 4.429 9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.001 3.901 8.038 1.00 0.00 H new ATOM 557 N GLU A 36 -9.554 8.396 5.525 1.00 0.00 N ATOM 558 CA GLU A 36 -10.440 9.205 4.690 1.00 0.00 C ATOM 559 C GLU A 36 -10.114 9.231 3.189 1.00 0.00 C ATOM 560 O GLU A 36 -11.005 9.553 2.395 1.00 0.00 O ATOM 561 CB GLU A 36 -10.504 10.642 5.241 1.00 0.00 C ATOM 562 CG GLU A 36 -10.959 10.700 6.710 1.00 0.00 C ATOM 563 CD GLU A 36 -11.505 12.078 7.085 1.00 0.00 C ATOM 564 OE1 GLU A 36 -10.808 13.109 6.941 1.00 0.00 O ATOM 565 OE2 GLU A 36 -12.693 12.175 7.476 1.00 0.00 O ATOM 0 H GLU A 36 -8.844 8.948 6.007 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.409 8.710 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.521 11.104 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.189 11.230 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.727 9.946 6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.119 10.453 7.360 1.00 0.00 H new ATOM 572 N LYS A 37 -8.888 8.915 2.765 1.00 0.00 N ATOM 573 CA LYS A 37 -8.484 8.924 1.357 1.00 0.00 C ATOM 574 C LYS A 37 -7.759 7.625 1.028 1.00 0.00 C ATOM 575 O LYS A 37 -7.234 6.964 1.914 1.00 0.00 O ATOM 576 CB LYS A 37 -7.517 10.096 1.097 1.00 0.00 C ATOM 577 CG LYS A 37 -8.097 11.514 1.058 1.00 0.00 C ATOM 578 CD LYS A 37 -8.508 12.108 2.413 1.00 0.00 C ATOM 579 CE LYS A 37 -8.392 13.638 2.437 1.00 0.00 C ATOM 580 NZ LYS A 37 -6.989 14.094 2.347 1.00 0.00 N ATOM 0 H LYS A 37 -8.137 8.642 3.399 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.374 9.030 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.748 10.071 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.019 9.913 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.360 12.175 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.970 11.511 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.535 11.820 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.880 11.686 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.962 14.057 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.838 14.020 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.912 15.058 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.380 13.454 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.686 14.092 1.352 1.00 0.00 H new ATOM 594 N GLY A 38 -7.651 7.289 -0.252 1.00 0.00 N ATOM 595 CA GLY A 38 -6.970 6.095 -0.726 1.00 0.00 C ATOM 596 C GLY A 38 -5.480 6.380 -0.895 1.00 0.00 C ATOM 597 O GLY A 38 -4.891 5.972 -1.891 1.00 0.00 O ATOM 0 H GLY A 38 -8.044 7.854 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.115 5.278 -0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.398 5.774 -1.676 1.00 0.00 H new ATOM 601 N GLU A 39 -4.866 7.189 -0.034 1.00 0.00 N ATOM 602 CA GLU A 39 -3.448 7.511 -0.122 1.00 0.00 C ATOM 603 C GLU A 39 -2.728 6.718 0.961 1.00 0.00 C ATOM 604 O GLU A 39 -3.245 6.549 2.067 1.00 0.00 O ATOM 605 CB GLU A 39 -3.205 9.030 -0.042 1.00 0.00 C ATOM 606 CG GLU A 39 -3.621 9.691 1.279 1.00 0.00 C ATOM 607 CD GLU A 39 -3.345 11.196 1.279 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.156 11.581 1.244 1.00 0.00 O ATOM 609 OE2 GLU A 39 -4.305 12.007 1.369 1.00 0.00 O ATOM 0 H GLU A 39 -5.342 7.640 0.747 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.044 7.223 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.145 9.221 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.746 9.511 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.683 9.517 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.083 9.224 2.104 1.00 0.00 H new ATOM 616 N ALA A 40 -1.539 6.222 0.639 1.00 0.00 N ATOM 617 CA ALA A 40 -0.704 5.453 1.535 1.00 0.00 C ATOM 618 C ALA A 40 0.720 5.995 1.457 1.00 0.00 C ATOM 619 O ALA A 40 1.148 6.476 0.402 1.00 0.00 O ATOM 620 CB ALA A 40 -0.793 3.980 1.141 1.00 0.00 C ATOM 0 H ALA A 40 -1.123 6.352 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.036 5.539 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.168 3.386 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.827 3.644 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.447 3.856 0.115 1.00 0.00 H new ATOM 626 N LEU A 41 1.434 5.962 2.579 1.00 0.00 N ATOM 627 CA LEU A 41 2.807 6.429 2.736 1.00 0.00 C ATOM 628 C LEU A 41 3.600 5.268 3.324 1.00 0.00 C ATOM 629 O LEU A 41 3.066 4.500 4.133 1.00 0.00 O ATOM 630 CB LEU A 41 2.889 7.686 3.624 1.00 0.00 C ATOM 631 CG LEU A 41 2.577 9.018 2.904 1.00 0.00 C ATOM 632 CD1 LEU A 41 1.079 9.260 2.671 1.00 0.00 C ATOM 633 CD2 LEU A 41 3.109 10.192 3.736 1.00 0.00 C ATOM 0 H LEU A 41 1.050 5.589 3.447 1.00 0.00 H new ATOM 0 HA LEU A 41 3.221 6.729 1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.195 7.570 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.891 7.747 4.050 1.00 0.00 H new ATOM 0 HG LEU A 41 3.063 8.948 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.939 10.213 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.672 8.457 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.560 9.281 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.888 11.129 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.631 10.190 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.187 10.092 3.859 1.00 0.00 H new ATOM 645 N VAL A 42 4.861 5.129 2.914 1.00 0.00 N ATOM 646 CA VAL A 42 5.736 4.054 3.356 1.00 0.00 C ATOM 647 C VAL A 42 7.124 4.590 3.708 1.00 0.00 C ATOM 648 O VAL A 42 7.662 5.460 3.008 1.00 0.00 O ATOM 649 CB VAL A 42 5.771 2.967 2.257 1.00 0.00 C ATOM 650 CG1 VAL A 42 4.370 2.376 2.022 1.00 0.00 C ATOM 651 CG2 VAL A 42 6.321 3.453 0.904 1.00 0.00 C ATOM 0 H VAL A 42 5.305 5.771 2.257 1.00 0.00 H new ATOM 0 HA VAL A 42 5.352 3.603 4.271 1.00 0.00 H new ATOM 0 HB VAL A 42 6.457 2.211 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.422 1.614 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.005 1.927 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.689 3.167 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.311 2.629 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.699 4.266 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.343 3.809 1.033 1.00 0.00 H new ATOM 661 N GLU A 43 7.730 4.051 4.773 1.00 0.00 N ATOM 662 CA GLU A 43 9.055 4.474 5.202 1.00 0.00 C ATOM 663 C GLU A 43 9.970 3.253 5.283 1.00 0.00 C ATOM 664 O GLU A 43 9.934 2.461 6.227 1.00 0.00 O ATOM 665 CB GLU A 43 8.975 5.254 6.522 1.00 0.00 C ATOM 666 CG GLU A 43 10.273 6.049 6.700 1.00 0.00 C ATOM 667 CD GLU A 43 10.476 6.615 8.104 1.00 0.00 C ATOM 668 OE1 GLU A 43 9.518 6.822 8.878 1.00 0.00 O ATOM 669 OE2 GLU A 43 11.656 6.805 8.462 1.00 0.00 O ATOM 0 H GLU A 43 7.316 3.319 5.351 1.00 0.00 H new ATOM 0 HA GLU A 43 9.484 5.161 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.118 5.927 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.833 4.569 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.117 5.404 6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.283 6.871 5.985 1.00 0.00 H new ATOM 676 N GLY A 44 10.836 3.142 4.283 1.00 0.00 N ATOM 677 CA GLY A 44 11.811 2.089 4.104 1.00 0.00 C ATOM 678 C GLY A 44 12.503 2.285 2.765 1.00 0.00 C ATOM 679 O GLY A 44 12.294 3.316 2.117 1.00 0.00 O ATOM 0 H GLY A 44 10.873 3.831 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.541 2.109 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.324 1.114 4.138 1.00 0.00 H new ATOM 683 N THR A 45 13.268 1.296 2.318 1.00 0.00 N ATOM 684 CA THR A 45 14.010 1.351 1.058 1.00 0.00 C ATOM 685 C THR A 45 13.567 0.290 0.042 1.00 0.00 C ATOM 686 O THR A 45 14.274 0.073 -0.940 1.00 0.00 O ATOM 687 CB THR A 45 15.522 1.347 1.363 1.00 0.00 C ATOM 688 OG1 THR A 45 15.818 0.399 2.375 1.00 0.00 O ATOM 689 CG2 THR A 45 15.972 2.729 1.857 1.00 0.00 C ATOM 0 H THR A 45 13.394 0.420 2.825 1.00 0.00 H new ATOM 0 HA THR A 45 13.774 2.287 0.551 1.00 0.00 H new ATOM 0 HB THR A 45 16.047 1.090 0.443 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.781 0.405 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.041 2.710 2.068 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.767 3.475 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.428 2.986 2.766 1.00 0.00 H new ATOM 697 N ALA A 46 12.429 -0.388 0.257 1.00 0.00 N ATOM 698 CA ALA A 46 11.945 -1.401 -0.681 1.00 0.00 C ATOM 699 C ALA A 46 11.590 -0.759 -2.025 1.00 0.00 C ATOM 700 O ALA A 46 11.242 0.425 -2.083 1.00 0.00 O ATOM 701 CB ALA A 46 10.718 -2.119 -0.124 1.00 0.00 C ATOM 0 H ALA A 46 11.831 -0.250 1.072 1.00 0.00 H new ATOM 0 HA ALA A 46 12.744 -2.128 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.378 -2.867 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.977 -2.608 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.922 -1.396 0.051 1.00 0.00 H new ATOM 707 N ASP A 47 11.613 -1.566 -3.080 1.00 0.00 N ATOM 708 CA ASP A 47 11.323 -1.165 -4.454 1.00 0.00 C ATOM 709 C ASP A 47 9.878 -0.697 -4.655 1.00 0.00 C ATOM 710 O ASP A 47 8.975 -1.126 -3.931 1.00 0.00 O ATOM 711 CB ASP A 47 11.592 -2.349 -5.403 1.00 0.00 C ATOM 712 CG ASP A 47 13.040 -2.373 -5.875 1.00 0.00 C ATOM 713 OD1 ASP A 47 13.474 -1.365 -6.472 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.721 -3.403 -5.663 1.00 0.00 O ATOM 0 H ASP A 47 11.843 -2.556 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 47 11.976 -0.321 -4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.359 -3.284 -4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.929 -2.282 -6.265 1.00 0.00 H new ATOM 719 N PRO A 48 9.619 0.148 -5.669 1.00 0.00 N ATOM 720 CA PRO A 48 8.282 0.643 -5.972 1.00 0.00 C ATOM 721 C PRO A 48 7.416 -0.518 -6.474 1.00 0.00 C ATOM 722 O PRO A 48 6.337 -0.773 -5.930 1.00 0.00 O ATOM 723 CB PRO A 48 8.483 1.736 -7.028 1.00 0.00 C ATOM 724 CG PRO A 48 9.804 1.381 -7.704 1.00 0.00 C ATOM 725 CD PRO A 48 10.597 0.723 -6.583 1.00 0.00 C ATOM 0 HA PRO A 48 7.764 1.054 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.662 1.750 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.525 2.725 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.657 0.704 -8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.310 2.266 -8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.260 -0.047 -6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.225 1.453 -6.071 1.00 0.00 H new ATOM 733 N LYS A 49 7.924 -1.252 -7.474 1.00 0.00 N ATOM 734 CA LYS A 49 7.237 -2.390 -8.063 1.00 0.00 C ATOM 735 C LYS A 49 6.870 -3.414 -7.004 1.00 0.00 C ATOM 736 O LYS A 49 5.734 -3.860 -7.031 1.00 0.00 O ATOM 737 CB LYS A 49 8.066 -3.025 -9.194 1.00 0.00 C ATOM 738 CG LYS A 49 7.922 -2.279 -10.529 1.00 0.00 C ATOM 739 CD LYS A 49 6.546 -2.481 -11.179 1.00 0.00 C ATOM 740 CE LYS A 49 6.454 -1.685 -12.484 1.00 0.00 C ATOM 741 NZ LYS A 49 5.092 -1.767 -13.047 1.00 0.00 N ATOM 0 H LYS A 49 8.834 -1.063 -7.895 1.00 0.00 H new ATOM 0 HA LYS A 49 6.311 -2.024 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.116 -3.041 -8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.756 -4.062 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.088 -1.214 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.697 -2.620 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.382 -3.540 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.762 -2.161 -10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.715 -0.643 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.175 -2.072 -13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.049 -1.221 -13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.856 -2.761 -13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.411 -1.376 -12.365 1.00 0.00 H new ATOM 755 N ALA A 50 7.728 -3.699 -6.021 1.00 0.00 N ATOM 756 CA ALA A 50 7.427 -4.676 -4.981 1.00 0.00 C ATOM 757 C ALA A 50 6.091 -4.359 -4.307 1.00 0.00 C ATOM 758 O ALA A 50 5.279 -5.254 -4.098 1.00 0.00 O ATOM 759 CB ALA A 50 8.560 -4.721 -3.946 1.00 0.00 C ATOM 0 H ALA A 50 8.644 -3.260 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 50 7.345 -5.658 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.321 -5.455 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.491 -5.002 -4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.674 -3.738 -3.488 1.00 0.00 H new ATOM 765 N LEU A 51 5.865 -3.084 -3.969 1.00 0.00 N ATOM 766 CA LEU A 51 4.639 -2.633 -3.322 1.00 0.00 C ATOM 767 C LEU A 51 3.460 -2.703 -4.292 1.00 0.00 C ATOM 768 O LEU A 51 2.425 -3.288 -3.959 1.00 0.00 O ATOM 769 CB LEU A 51 4.808 -1.198 -2.787 1.00 0.00 C ATOM 770 CG LEU A 51 5.408 -1.104 -1.372 1.00 0.00 C ATOM 771 CD1 LEU A 51 6.776 -1.779 -1.209 1.00 0.00 C ATOM 772 CD2 LEU A 51 5.538 0.365 -0.978 1.00 0.00 C ATOM 0 H LEU A 51 6.536 -2.335 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 51 4.433 -3.295 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.445 -0.641 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.834 -0.708 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 51 4.720 -1.645 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.119 -1.662 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.689 -2.840 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.493 -1.316 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.962 0.437 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.191 0.875 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.554 0.833 -0.989 1.00 0.00 H new ATOM 784 N VAL A 52 3.610 -2.086 -5.468 1.00 0.00 N ATOM 785 CA VAL A 52 2.582 -2.047 -6.506 1.00 0.00 C ATOM 786 C VAL A 52 2.100 -3.468 -6.818 1.00 0.00 C ATOM 787 O VAL A 52 0.900 -3.743 -6.742 1.00 0.00 O ATOM 788 CB VAL A 52 3.135 -1.311 -7.749 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.173 -1.348 -8.941 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.422 0.169 -7.449 1.00 0.00 C ATOM 0 H VAL A 52 4.464 -1.592 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 52 1.712 -1.490 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 52 4.052 -1.843 -8.003 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.616 -0.816 -9.783 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.985 -2.383 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.233 -0.871 -8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.809 0.654 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.501 0.663 -7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.160 0.242 -6.650 1.00 0.00 H new ATOM 800 N GLN A 53 3.030 -4.358 -7.159 1.00 0.00 N ATOM 801 CA GLN A 53 2.774 -5.742 -7.497 1.00 0.00 C ATOM 802 C GLN A 53 2.123 -6.464 -6.324 1.00 0.00 C ATOM 803 O GLN A 53 1.104 -7.116 -6.532 1.00 0.00 O ATOM 804 CB GLN A 53 4.082 -6.429 -7.936 1.00 0.00 C ATOM 805 CG GLN A 53 3.849 -7.423 -9.074 1.00 0.00 C ATOM 806 CD GLN A 53 3.605 -6.682 -10.390 1.00 0.00 C ATOM 807 OE1 GLN A 53 4.516 -6.090 -10.972 1.00 0.00 O ATOM 808 NE2 GLN A 53 2.372 -6.645 -10.860 1.00 0.00 N ATOM 0 H GLN A 53 4.020 -4.117 -7.207 1.00 0.00 H new ATOM 0 HA GLN A 53 2.077 -5.785 -8.334 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.800 -5.673 -8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.523 -6.948 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.713 -8.080 -9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.993 -8.056 -8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.625 -7.138 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.166 -6.123 -11.712 1.00 0.00 H new ATOM 817 N ALA A 54 2.657 -6.313 -5.104 1.00 0.00 N ATOM 818 CA ALA A 54 2.109 -6.968 -3.926 1.00 0.00 C ATOM 819 C ALA A 54 0.625 -6.651 -3.744 1.00 0.00 C ATOM 820 O ALA A 54 -0.140 -7.571 -3.450 1.00 0.00 O ATOM 821 CB ALA A 54 2.907 -6.598 -2.676 1.00 0.00 C ATOM 0 H ALA A 54 3.476 -5.735 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 54 2.195 -8.044 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.478 -7.100 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.944 -6.911 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.869 -5.519 -2.526 1.00 0.00 H new ATOM 827 N VAL A 55 0.208 -5.385 -3.883 1.00 0.00 N ATOM 828 CA VAL A 55 -1.216 -5.068 -3.733 1.00 0.00 C ATOM 829 C VAL A 55 -2.025 -5.542 -4.953 1.00 0.00 C ATOM 830 O VAL A 55 -3.183 -5.931 -4.792 1.00 0.00 O ATOM 831 CB VAL A 55 -1.469 -3.593 -3.364 1.00 0.00 C ATOM 832 CG1 VAL A 55 -0.793 -3.240 -2.031 1.00 0.00 C ATOM 833 CG2 VAL A 55 -1.017 -2.579 -4.420 1.00 0.00 C ATOM 0 H VAL A 55 0.812 -4.590 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.583 -5.633 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.554 -3.514 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.985 -2.194 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.195 -3.873 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.282 -3.401 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.236 -1.569 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.055 -2.681 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.549 -2.764 -5.353 1.00 0.00 H new ATOM 843 N GLU A 56 -1.433 -5.524 -6.156 1.00 0.00 N ATOM 844 CA GLU A 56 -2.081 -5.941 -7.403 1.00 0.00 C ATOM 845 C GLU A 56 -2.609 -7.370 -7.329 1.00 0.00 C ATOM 846 O GLU A 56 -3.705 -7.645 -7.817 1.00 0.00 O ATOM 847 CB GLU A 56 -1.075 -5.859 -8.567 1.00 0.00 C ATOM 848 CG GLU A 56 -1.740 -5.608 -9.925 1.00 0.00 C ATOM 849 CD GLU A 56 -0.727 -5.064 -10.932 1.00 0.00 C ATOM 850 OE1 GLU A 56 -0.251 -3.924 -10.719 1.00 0.00 O ATOM 851 OE2 GLU A 56 -0.417 -5.758 -11.934 1.00 0.00 O ATOM 0 H GLU A 56 -0.471 -5.212 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.923 -5.267 -7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.362 -5.060 -8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.508 -6.788 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.171 -6.536 -10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.560 -4.900 -9.808 1.00 0.00 H new ATOM 858 N GLU A 57 -1.846 -8.261 -6.688 1.00 0.00 N ATOM 859 CA GLU A 57 -2.189 -9.668 -6.545 1.00 0.00 C ATOM 860 C GLU A 57 -3.558 -9.901 -5.923 1.00 0.00 C ATOM 861 O GLU A 57 -4.210 -10.889 -6.262 1.00 0.00 O ATOM 862 CB GLU A 57 -1.168 -10.387 -5.659 1.00 0.00 C ATOM 863 CG GLU A 57 0.225 -10.494 -6.273 1.00 0.00 C ATOM 864 CD GLU A 57 1.047 -11.516 -5.501 1.00 0.00 C ATOM 865 OE1 GLU A 57 1.383 -11.261 -4.320 1.00 0.00 O ATOM 866 OE2 GLU A 57 1.337 -12.592 -6.074 1.00 0.00 O ATOM 0 H GLU A 57 -0.959 -8.014 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.192 -10.061 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.094 -9.860 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.535 -11.390 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.150 -10.789 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.719 -9.523 -6.250 1.00 0.00 H new ATOM 873 N GLU A 58 -3.987 -9.045 -4.996 1.00 0.00 N ATOM 874 CA GLU A 58 -5.274 -9.193 -4.330 1.00 0.00 C ATOM 875 C GLU A 58 -6.448 -8.841 -5.252 1.00 0.00 C ATOM 876 O GLU A 58 -7.587 -9.218 -4.976 1.00 0.00 O ATOM 877 CB GLU A 58 -5.287 -8.306 -3.075 1.00 0.00 C ATOM 878 CG GLU A 58 -6.166 -8.898 -1.963 1.00 0.00 C ATOM 879 CD GLU A 58 -5.466 -9.996 -1.160 1.00 0.00 C ATOM 880 OE1 GLU A 58 -4.996 -11.013 -1.737 1.00 0.00 O ATOM 881 OE2 GLU A 58 -5.420 -9.869 0.084 1.00 0.00 O ATOM 0 H GLU A 58 -3.452 -8.233 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.400 -10.239 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.269 -8.184 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.652 -7.313 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.470 -8.100 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.075 -9.304 -2.406 1.00 0.00 H new ATOM 888 N GLY A 59 -6.189 -8.143 -6.357 1.00 0.00 N ATOM 889 CA GLY A 59 -7.196 -7.709 -7.314 1.00 0.00 C ATOM 890 C GLY A 59 -7.505 -6.219 -7.146 1.00 0.00 C ATOM 891 O GLY A 59 -8.369 -5.688 -7.843 1.00 0.00 O ATOM 0 H GLY A 59 -5.244 -7.858 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.845 -7.899 -8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.108 -8.291 -7.178 1.00 0.00 H new ATOM 895 N TYR A 60 -6.849 -5.542 -6.201 1.00 0.00 N ATOM 896 CA TYR A 60 -7.021 -4.120 -5.939 1.00 0.00 C ATOM 897 C TYR A 60 -6.237 -3.306 -6.984 1.00 0.00 C ATOM 898 O TYR A 60 -5.472 -3.882 -7.765 1.00 0.00 O ATOM 899 CB TYR A 60 -6.558 -3.836 -4.505 1.00 0.00 C ATOM 900 CG TYR A 60 -7.304 -4.566 -3.390 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.690 -4.800 -3.483 1.00 0.00 C ATOM 902 CD2 TYR A 60 -6.622 -4.959 -2.219 1.00 0.00 C ATOM 903 CE1 TYR A 60 -9.387 -5.422 -2.436 1.00 0.00 C ATOM 904 CE2 TYR A 60 -7.315 -5.585 -1.163 1.00 0.00 C ATOM 905 CZ TYR A 60 -8.702 -5.836 -1.276 1.00 0.00 C ATOM 906 OH TYR A 60 -9.400 -6.438 -0.276 1.00 0.00 O ATOM 0 H TYR A 60 -6.167 -5.983 -5.584 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.067 -3.825 -6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.501 -4.091 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.641 -2.764 -4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.223 -4.497 -4.372 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.561 -4.779 -2.131 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.452 -5.584 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.786 -5.873 -0.267 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.963 -5.775 0.175 1.00 0.00 H new ATOM 916 N LYS A 61 -6.393 -1.973 -7.012 1.00 0.00 N ATOM 917 CA LYS A 61 -5.696 -1.110 -7.977 1.00 0.00 C ATOM 918 C LYS A 61 -4.760 -0.168 -7.241 1.00 0.00 C ATOM 919 O LYS A 61 -5.041 0.194 -6.092 1.00 0.00 O ATOM 920 CB LYS A 61 -6.730 -0.346 -8.818 1.00 0.00 C ATOM 921 CG LYS A 61 -7.465 -1.318 -9.751 1.00 0.00 C ATOM 922 CD LYS A 61 -8.474 -0.620 -10.667 1.00 0.00 C ATOM 923 CE LYS A 61 -9.186 -1.720 -11.457 1.00 0.00 C ATOM 924 NZ LYS A 61 -10.246 -1.214 -12.347 1.00 0.00 N ATOM 0 H LYS A 61 -7.002 -1.466 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.092 -1.715 -8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.444 0.155 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.235 0.429 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.735 -1.849 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.984 -2.066 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.188 -0.038 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.970 0.075 -11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.451 -2.262 -12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.620 -2.435 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.686 -2.010 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.967 -0.721 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.834 -0.553 -13.037 1.00 0.00 H new ATOM 938 N ALA A 62 -3.644 0.225 -7.852 1.00 0.00 N ATOM 939 CA ALA A 62 -2.688 1.119 -7.224 1.00 0.00 C ATOM 940 C ALA A 62 -1.811 1.819 -8.254 1.00 0.00 C ATOM 941 O ALA A 62 -1.799 1.495 -9.443 1.00 0.00 O ATOM 942 CB ALA A 62 -1.794 0.317 -6.266 1.00 0.00 C ATOM 0 H ALA A 62 -3.382 -0.069 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.248 1.880 -6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.075 0.986 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.411 -0.153 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.261 -0.452 -6.824 1.00 0.00 H new ATOM 948 N GLU A 63 -1.051 2.806 -7.786 1.00 0.00 N ATOM 949 CA GLU A 63 -0.135 3.558 -8.629 1.00 0.00 C ATOM 950 C GLU A 63 0.927 4.186 -7.730 1.00 0.00 C ATOM 951 O GLU A 63 0.578 4.785 -6.715 1.00 0.00 O ATOM 952 CB GLU A 63 -0.913 4.618 -9.428 1.00 0.00 C ATOM 953 CG GLU A 63 -0.079 5.184 -10.579 1.00 0.00 C ATOM 954 CD GLU A 63 0.112 4.133 -11.665 1.00 0.00 C ATOM 955 OE1 GLU A 63 -0.826 3.930 -12.472 1.00 0.00 O ATOM 956 OE2 GLU A 63 1.181 3.474 -11.682 1.00 0.00 O ATOM 0 H GLU A 63 -1.055 3.104 -6.811 1.00 0.00 H new ATOM 0 HA GLU A 63 0.356 2.907 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.827 4.176 -9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.212 5.428 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.573 6.062 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.892 5.511 -10.206 1.00 0.00 H new ATOM 963 N VAL A 64 2.215 3.993 -8.015 1.00 0.00 N ATOM 964 CA VAL A 64 3.268 4.588 -7.194 1.00 0.00 C ATOM 965 C VAL A 64 3.454 6.042 -7.639 1.00 0.00 C ATOM 966 O VAL A 64 3.379 6.348 -8.838 1.00 0.00 O ATOM 967 CB VAL A 64 4.541 3.722 -7.239 1.00 0.00 C ATOM 968 CG1 VAL A 64 5.107 3.529 -8.652 1.00 0.00 C ATOM 969 CG2 VAL A 64 5.619 4.263 -6.291 1.00 0.00 C ATOM 0 H VAL A 64 2.551 3.435 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 64 2.996 4.612 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 64 4.234 2.734 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.002 2.909 -8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.361 3.041 -9.279 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.360 4.500 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.504 3.629 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.882 5.280 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.238 4.265 -5.270 1.00 0.00 H new ATOM 979 N LEU A 65 3.701 6.938 -6.682 1.00 0.00 N ATOM 980 CA LEU A 65 3.895 8.357 -6.928 1.00 0.00 C ATOM 981 C LEU A 65 5.225 8.768 -6.312 1.00 0.00 C ATOM 982 O LEU A 65 5.322 8.965 -5.100 1.00 0.00 O ATOM 983 CB LEU A 65 2.694 9.154 -6.391 1.00 0.00 C ATOM 984 CG LEU A 65 2.586 10.599 -6.920 1.00 0.00 C ATOM 985 CD1 LEU A 65 1.364 11.266 -6.280 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.812 11.481 -6.666 1.00 0.00 C ATOM 0 H LEU A 65 3.772 6.686 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 65 3.942 8.575 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.779 8.620 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.753 9.184 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 65 2.501 10.512 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.275 12.289 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.465 10.708 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.481 11.276 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.636 12.476 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.990 11.557 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.684 11.039 -7.148 1.00 0.00 H new ATOM 998 N ALA A 66 6.275 8.766 -7.134 1.00 0.00 N ATOM 999 CA ALA A 66 7.604 9.183 -6.719 1.00 0.00 C ATOM 1000 C ALA A 66 7.576 10.689 -6.902 1.00 0.00 C ATOM 1001 O ALA A 66 7.612 11.420 -5.891 1.00 0.00 O ATOM 1002 CB ALA A 66 8.695 8.527 -7.573 1.00 0.00 C ATOM 0 H ALA A 66 6.222 8.473 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 66 7.839 8.888 -5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.675 8.863 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.630 7.443 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.558 8.808 -8.617 1.00 0.00 H new TER 1008 ALA A 66