USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 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 -150:sc= 0.453 USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.228 X(o=-0.23,f=0) USER MOD Set 2.2: A 16 MET CE :methyl 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+ -174:sc= 1.27 (180deg=1.25) USER MOD Single : A 9 MET CE :methyl -157:sc= -0.271 (180deg=-1.39) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0755 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 81:sc= 0.295 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -0.0856 (180deg=-0.87) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= -0.0499 (180deg=-0.0738) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= -0.0295 (180deg=-0.171) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc=-0.00333 (180deg=-0.147) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000943) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.253 F(o=-1.1,f=-0.25) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc=-0.00388 (180deg=-0.0975) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.625 -3.511 8.128 1.00 0.00 N ATOM 2 CA MET A 1 -8.333 -2.913 7.767 1.00 0.00 C ATOM 3 C MET A 1 -7.707 -3.788 6.682 1.00 0.00 C ATOM 4 O MET A 1 -6.911 -4.680 6.977 1.00 0.00 O ATOM 5 CB MET A 1 -7.431 -2.688 8.991 1.00 0.00 C ATOM 6 CG MET A 1 -6.441 -1.562 8.685 1.00 0.00 C ATOM 7 SD MET A 1 -5.155 -1.344 9.941 1.00 0.00 S ATOM 8 CE MET A 1 -4.564 0.311 9.496 1.00 0.00 C ATOM 0 H1 MET A 1 -10.079 -2.937 8.867 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.239 -3.543 7.289 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.473 -4.477 8.484 1.00 0.00 H new ATOM 0 HA MET A 1 -8.474 -1.909 7.367 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.035 -2.431 9.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.894 -3.604 9.236 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.965 -1.762 7.725 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.992 -0.628 8.579 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.763 0.606 10.174 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.188 0.300 8.473 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.385 1.024 9.573 1.00 0.00 H new ATOM 18 N LEU A 2 -8.076 -3.544 5.423 1.00 0.00 N ATOM 19 CA LEU A 2 -7.632 -4.278 4.239 1.00 0.00 C ATOM 20 C LEU A 2 -6.122 -4.455 4.216 1.00 0.00 C ATOM 21 O LEU A 2 -5.400 -3.471 4.375 1.00 0.00 O ATOM 22 CB LEU A 2 -8.114 -3.557 2.967 1.00 0.00 C ATOM 23 CG LEU A 2 -9.210 -4.340 2.229 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.767 -3.464 1.103 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.723 -5.666 1.630 1.00 0.00 C ATOM 0 H LEU A 2 -8.725 -2.792 5.191 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.071 -5.275 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.493 -2.570 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.268 -3.403 2.297 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.973 -4.589 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.547 -4.008 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.186 -2.551 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.965 -3.208 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.551 -6.163 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.926 -5.470 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.346 -6.308 2.426 1.00 0.00 H new ATOM 37 N LYS A 3 -5.642 -5.672 3.971 1.00 0.00 N ATOM 38 CA LYS A 3 -4.222 -6.031 3.928 1.00 0.00 C ATOM 39 C LYS A 3 -3.713 -6.115 2.489 1.00 0.00 C ATOM 40 O LYS A 3 -4.460 -6.465 1.576 1.00 0.00 O ATOM 41 CB LYS A 3 -4.045 -7.410 4.595 1.00 0.00 C ATOM 42 CG LYS A 3 -4.465 -7.424 6.075 1.00 0.00 C ATOM 43 CD LYS A 3 -4.480 -8.847 6.645 1.00 0.00 C ATOM 44 CE LYS A 3 -5.235 -8.965 7.973 1.00 0.00 C ATOM 45 NZ LYS A 3 -4.659 -8.135 9.049 1.00 0.00 N ATOM 0 H LYS A 3 -6.254 -6.468 3.790 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.653 -5.262 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.633 -8.149 4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.001 -7.713 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.778 -6.807 6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.455 -6.980 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.936 -9.517 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.453 -9.183 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.275 -8.677 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.237 -10.008 8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.215 -8.260 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.675 -8.425 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.681 -7.135 8.765 1.00 0.00 H new ATOM 59 N LEU A 4 -2.427 -5.845 2.276 1.00 0.00 N ATOM 60 CA LEU A 4 -1.734 -5.891 0.985 1.00 0.00 C ATOM 61 C LEU A 4 -0.276 -6.203 1.261 1.00 0.00 C ATOM 62 O LEU A 4 0.251 -5.739 2.271 1.00 0.00 O ATOM 63 CB LEU A 4 -1.779 -4.530 0.247 1.00 0.00 C ATOM 64 CG LEU A 4 -2.675 -4.583 -1.005 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.236 -3.211 -1.397 1.00 0.00 C ATOM 66 CD2 LEU A 4 -1.889 -5.099 -2.204 1.00 0.00 C ATOM 0 H LEU A 4 -1.805 -5.574 3.038 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.223 -6.640 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.149 -3.761 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.769 -4.240 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.499 -5.248 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.859 -3.313 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.835 -2.815 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.413 -2.528 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.538 -5.129 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.047 -4.435 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.519 -6.102 -1.992 1.00 0.00 H new ATOM 78 N LYS A 5 0.369 -6.968 0.386 1.00 0.00 N ATOM 79 CA LYS A 5 1.777 -7.326 0.471 1.00 0.00 C ATOM 80 C LYS A 5 2.410 -6.524 -0.651 1.00 0.00 C ATOM 81 O LYS A 5 1.917 -6.586 -1.778 1.00 0.00 O ATOM 82 CB LYS A 5 1.975 -8.838 0.261 1.00 0.00 C ATOM 83 CG LYS A 5 3.240 -9.433 0.904 1.00 0.00 C ATOM 84 CD LYS A 5 4.569 -9.030 0.244 1.00 0.00 C ATOM 85 CE LYS A 5 5.743 -9.829 0.832 1.00 0.00 C ATOM 86 NZ LYS A 5 5.920 -11.151 0.186 1.00 0.00 N ATOM 0 H LYS A 5 -0.093 -7.369 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 5 2.217 -7.109 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.105 -9.360 0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.004 -9.038 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.269 -9.134 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.160 -10.520 0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.511 -9.200 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.742 -7.964 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.661 -9.251 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.581 -9.971 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.657 -11.686 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.024 -11.678 0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.203 -11.018 -0.806 1.00 0.00 H new ATOM 100 N VAL A 6 3.426 -5.737 -0.340 1.00 0.00 N ATOM 101 CA VAL A 6 4.155 -4.920 -1.297 1.00 0.00 C ATOM 102 C VAL A 6 5.577 -5.453 -1.340 1.00 0.00 C ATOM 103 O VAL A 6 6.149 -5.772 -0.293 1.00 0.00 O ATOM 104 CB VAL A 6 4.178 -3.441 -0.867 1.00 0.00 C ATOM 105 CG1 VAL A 6 4.789 -2.561 -1.968 1.00 0.00 C ATOM 106 CG2 VAL A 6 2.782 -2.935 -0.504 1.00 0.00 C ATOM 0 H VAL A 6 3.777 -5.646 0.613 1.00 0.00 H new ATOM 0 HA VAL A 6 3.672 -4.971 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 6 4.802 -3.375 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.794 -1.521 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.811 -2.884 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.196 -2.652 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.841 -1.888 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.124 -3.030 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.384 -3.525 0.321 1.00 0.00 H new ATOM 116 N GLU A 7 6.164 -5.511 -2.528 1.00 0.00 N ATOM 117 CA GLU A 7 7.519 -5.971 -2.711 1.00 0.00 C ATOM 118 C GLU A 7 8.289 -4.899 -3.461 1.00 0.00 C ATOM 119 O GLU A 7 7.872 -4.461 -4.541 1.00 0.00 O ATOM 120 CB GLU A 7 7.588 -7.320 -3.430 1.00 0.00 C ATOM 121 CG GLU A 7 6.988 -8.441 -2.574 1.00 0.00 C ATOM 122 CD GLU A 7 7.452 -9.839 -2.978 1.00 0.00 C ATOM 123 OE1 GLU A 7 8.286 -10.004 -3.899 1.00 0.00 O ATOM 124 OE2 GLU A 7 7.062 -10.808 -2.285 1.00 0.00 O ATOM 0 H GLU A 7 5.702 -5.236 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 7 7.971 -6.139 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.052 -7.257 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.626 -7.556 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.250 -8.269 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.901 -8.395 -2.641 1.00 0.00 H new ATOM 131 N GLY A 8 9.403 -4.473 -2.871 1.00 0.00 N ATOM 132 CA GLY A 8 10.297 -3.463 -3.410 1.00 0.00 C ATOM 133 C GLY A 8 10.529 -2.282 -2.472 1.00 0.00 C ATOM 134 O GLY A 8 11.387 -1.450 -2.763 1.00 0.00 O ATOM 0 H GLY A 8 9.715 -4.838 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.257 -3.926 -3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.888 -3.093 -4.350 1.00 0.00 H new ATOM 138 N MET A 9 9.781 -2.157 -1.367 1.00 0.00 N ATOM 139 CA MET A 9 9.975 -1.059 -0.429 1.00 0.00 C ATOM 140 C MET A 9 11.257 -1.349 0.349 1.00 0.00 C ATOM 141 O MET A 9 11.224 -1.969 1.411 1.00 0.00 O ATOM 142 CB MET A 9 8.781 -0.873 0.517 1.00 0.00 C ATOM 143 CG MET A 9 7.471 -0.600 -0.221 1.00 0.00 C ATOM 144 SD MET A 9 6.077 -0.185 0.860 1.00 0.00 S ATOM 145 CE MET A 9 6.095 -1.596 2.001 1.00 0.00 C ATOM 0 H MET A 9 9.038 -2.806 -1.107 1.00 0.00 H new ATOM 0 HA MET A 9 10.057 -0.121 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 9 8.667 -1.768 1.129 1.00 0.00 H new ATOM 0 HB3 MET A 9 8.988 -0.046 1.196 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.627 0.219 -0.923 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.210 -1.479 -0.810 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.107 -1.717 2.446 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.360 -2.502 1.456 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.828 -1.418 2.788 1.00 0.00 H new ATOM 155 N THR A 10 12.385 -0.872 -0.163 1.00 0.00 N ATOM 156 CA THR A 10 13.702 -1.066 0.422 1.00 0.00 C ATOM 157 C THR A 10 14.158 0.143 1.252 1.00 0.00 C ATOM 158 O THR A 10 15.118 0.032 2.018 1.00 0.00 O ATOM 159 CB THR A 10 14.635 -1.461 -0.737 1.00 0.00 C ATOM 160 OG1 THR A 10 15.906 -1.909 -0.312 1.00 0.00 O ATOM 161 CG2 THR A 10 14.837 -0.357 -1.780 1.00 0.00 C ATOM 0 H THR A 10 12.407 -0.323 -1.023 1.00 0.00 H new ATOM 0 HA THR A 10 13.705 -1.866 1.162 1.00 0.00 H new ATOM 0 HB THR A 10 14.102 -2.289 -1.205 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.448 -2.145 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.506 -0.714 -2.563 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.875 -0.091 -2.219 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.273 0.520 -1.302 1.00 0.00 H new ATOM 169 N CYS A 11 13.475 1.289 1.152 1.00 0.00 N ATOM 170 CA CYS A 11 13.809 2.496 1.894 1.00 0.00 C ATOM 171 C CYS A 11 12.547 3.135 2.456 1.00 0.00 C ATOM 172 O CYS A 11 11.447 2.924 1.939 1.00 0.00 O ATOM 173 CB CYS A 11 14.477 3.522 0.970 1.00 0.00 C ATOM 174 SG CYS A 11 15.983 2.893 0.195 1.00 0.00 S ATOM 0 H CYS A 11 12.664 1.399 0.543 1.00 0.00 H new ATOM 0 HA CYS A 11 14.486 2.214 2.701 1.00 0.00 H new ATOM 0 HB2 CYS A 11 13.771 3.818 0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 11 14.716 4.418 1.543 1.00 0.00 H new ATOM 0 HG CYS A 11 16.492 3.811 -0.572 1.00 0.00 H new ATOM 180 N ASN A 12 12.716 4.014 3.445 1.00 0.00 N ATOM 181 CA ASN A 12 11.608 4.729 4.068 1.00 0.00 C ATOM 182 C ASN A 12 10.850 5.545 3.020 1.00 0.00 C ATOM 183 O ASN A 12 9.625 5.624 3.092 1.00 0.00 O ATOM 184 CB ASN A 12 12.112 5.663 5.171 1.00 0.00 C ATOM 185 CG ASN A 12 10.952 6.476 5.723 1.00 0.00 C ATOM 186 OD1 ASN A 12 10.794 7.649 5.386 1.00 0.00 O ATOM 187 ND2 ASN A 12 10.127 5.867 6.549 1.00 0.00 N ATOM 0 H ASN A 12 13.629 4.249 3.835 1.00 0.00 H new ATOM 0 HA ASN A 12 10.938 3.991 4.510 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.574 5.083 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.879 6.328 4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.326 6.369 6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.289 4.893 6.806 1.00 0.00 H new ATOM 194 N HIS A 13 11.562 6.132 2.044 1.00 0.00 N ATOM 195 CA HIS A 13 10.925 6.918 0.993 1.00 0.00 C ATOM 196 C HIS A 13 9.918 6.045 0.236 1.00 0.00 C ATOM 197 O HIS A 13 8.848 6.532 -0.105 1.00 0.00 O ATOM 198 CB HIS A 13 11.949 7.579 0.061 1.00 0.00 C ATOM 199 CG HIS A 13 11.332 8.663 -0.802 1.00 0.00 C ATOM 200 ND1 HIS A 13 11.494 10.024 -0.641 1.00 0.00 N ATOM 201 CD2 HIS A 13 10.464 8.482 -1.848 1.00 0.00 C ATOM 202 CE1 HIS A 13 10.736 10.645 -1.557 1.00 0.00 C ATOM 203 NE2 HIS A 13 10.081 9.745 -2.309 1.00 0.00 N ATOM 0 H HIS A 13 12.577 6.073 1.967 1.00 0.00 H new ATOM 0 HA HIS A 13 10.382 7.742 1.456 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.755 8.008 0.657 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.396 6.819 -0.580 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.135 7.533 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.663 11.716 -1.673 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.430 9.944 -3.069 1.00 0.00 H new ATOM 211 N CYS A 14 10.213 4.760 0.004 1.00 0.00 N ATOM 212 CA CYS A 14 9.294 3.870 -0.692 1.00 0.00 C ATOM 213 C CYS A 14 7.985 3.777 0.089 1.00 0.00 C ATOM 214 O CYS A 14 6.918 3.907 -0.493 1.00 0.00 O ATOM 215 CB CYS A 14 9.871 2.455 -0.815 1.00 0.00 C ATOM 216 SG CYS A 14 11.581 2.435 -1.405 1.00 0.00 S ATOM 0 H CYS A 14 11.086 4.318 0.292 1.00 0.00 H new ATOM 0 HA CYS A 14 9.129 4.279 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.822 1.963 0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.251 1.874 -1.497 1.00 0.00 H new ATOM 0 HG CYS A 14 11.799 1.338 -2.068 1.00 0.00 H new ATOM 222 N VAL A 15 8.067 3.574 1.404 1.00 0.00 N ATOM 223 CA VAL A 15 6.916 3.444 2.285 1.00 0.00 C ATOM 224 C VAL A 15 6.082 4.717 2.246 1.00 0.00 C ATOM 225 O VAL A 15 4.893 4.655 1.943 1.00 0.00 O ATOM 226 CB VAL A 15 7.399 3.095 3.704 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.259 2.947 4.718 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.186 1.782 3.680 1.00 0.00 C ATOM 0 H VAL A 15 8.958 3.494 1.893 1.00 0.00 H new ATOM 0 HA VAL A 15 6.270 2.634 1.947 1.00 0.00 H new ATOM 0 HB VAL A 15 8.023 3.930 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.672 2.701 5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.706 3.884 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.588 2.151 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.524 1.542 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.545 0.981 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.049 1.887 3.023 1.00 0.00 H new ATOM 238 N MET A 16 6.686 5.877 2.520 1.00 0.00 N ATOM 239 CA MET A 16 5.933 7.124 2.511 1.00 0.00 C ATOM 240 C MET A 16 5.346 7.449 1.135 1.00 0.00 C ATOM 241 O MET A 16 4.307 8.118 1.082 1.00 0.00 O ATOM 242 CB MET A 16 6.744 8.282 3.092 1.00 0.00 C ATOM 243 CG MET A 16 8.081 8.546 2.406 1.00 0.00 C ATOM 244 SD MET A 16 8.576 10.284 2.329 1.00 0.00 S ATOM 245 CE MET A 16 7.759 10.735 0.778 1.00 0.00 C ATOM 0 H MET A 16 7.676 5.974 2.746 1.00 0.00 H new ATOM 0 HA MET A 16 5.078 6.977 3.171 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.142 9.189 3.040 1.00 0.00 H new ATOM 0 HB3 MET A 16 6.928 8.082 4.148 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.857 7.987 2.929 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.034 8.153 1.391 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.951 11.785 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.148 10.117 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.685 10.574 0.872 1.00 0.00 H new ATOM 255 N ALA A 17 5.988 7.005 0.050 1.00 0.00 N ATOM 256 CA ALA A 17 5.529 7.216 -1.312 1.00 0.00 C ATOM 257 C ALA A 17 4.308 6.324 -1.535 1.00 0.00 C ATOM 258 O ALA A 17 3.248 6.834 -1.887 1.00 0.00 O ATOM 259 CB ALA A 17 6.649 6.904 -2.303 1.00 0.00 C ATOM 0 H ALA A 17 6.860 6.478 0.103 1.00 0.00 H new ATOM 0 HA ALA A 17 5.250 8.257 -1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.291 7.066 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.499 7.558 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.957 5.865 -2.189 1.00 0.00 H new ATOM 265 N VAL A 18 4.429 5.018 -1.257 1.00 0.00 N ATOM 266 CA VAL A 18 3.358 4.031 -1.388 1.00 0.00 C ATOM 267 C VAL A 18 2.147 4.553 -0.612 1.00 0.00 C ATOM 268 O VAL A 18 1.050 4.613 -1.164 1.00 0.00 O ATOM 269 CB VAL A 18 3.862 2.635 -0.950 1.00 0.00 C ATOM 270 CG1 VAL A 18 2.757 1.605 -0.693 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.770 2.064 -2.044 1.00 0.00 C ATOM 0 H VAL A 18 5.303 4.611 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 18 3.044 3.897 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 18 4.380 2.798 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.205 0.658 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.101 1.965 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.178 1.458 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.129 1.080 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.208 1.976 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.620 2.729 -2.196 1.00 0.00 H new ATOM 281 N THR A 19 2.346 5.022 0.624 1.00 0.00 N ATOM 282 CA THR A 19 1.303 5.584 1.468 1.00 0.00 C ATOM 283 C THR A 19 0.587 6.705 0.700 1.00 0.00 C ATOM 284 O THR A 19 -0.636 6.673 0.539 1.00 0.00 O ATOM 285 CB THR A 19 1.958 6.089 2.775 1.00 0.00 C ATOM 286 OG1 THR A 19 2.366 4.992 3.555 1.00 0.00 O ATOM 287 CG2 THR A 19 1.061 6.966 3.647 1.00 0.00 C ATOM 0 H THR A 19 3.263 5.018 1.071 1.00 0.00 H new ATOM 0 HA THR A 19 0.552 4.838 1.730 1.00 0.00 H new ATOM 0 HB THR A 19 2.795 6.707 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.225 4.657 3.224 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.607 7.271 4.540 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.761 7.851 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.174 6.403 3.939 1.00 0.00 H new ATOM 295 N LYS A 20 1.327 7.702 0.205 1.00 0.00 N ATOM 296 CA LYS A 20 0.749 8.828 -0.527 1.00 0.00 C ATOM 297 C LYS A 20 0.056 8.416 -1.811 1.00 0.00 C ATOM 298 O LYS A 20 -0.981 9.004 -2.121 1.00 0.00 O ATOM 299 CB LYS A 20 1.813 9.903 -0.786 1.00 0.00 C ATOM 300 CG LYS A 20 2.207 10.602 0.520 1.00 0.00 C ATOM 301 CD LYS A 20 3.571 11.298 0.415 1.00 0.00 C ATOM 302 CE LYS A 20 3.991 11.946 1.740 1.00 0.00 C ATOM 303 NZ LYS A 20 3.939 11.009 2.881 1.00 0.00 N ATOM 0 H LYS A 20 2.341 7.749 0.301 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.030 9.249 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.693 9.448 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.431 10.637 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.445 11.336 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.235 9.871 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.326 10.572 0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.530 12.060 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.004 12.336 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.341 12.796 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.598 11.326 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.973 10.983 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.210 10.057 2.561 1.00 0.00 H new ATOM 317 N ALA A 21 0.572 7.435 -2.537 1.00 0.00 N ATOM 318 CA ALA A 21 -0.030 6.971 -3.770 1.00 0.00 C ATOM 319 C ALA A 21 -1.324 6.215 -3.450 1.00 0.00 C ATOM 320 O ALA A 21 -2.335 6.393 -4.123 1.00 0.00 O ATOM 321 CB ALA A 21 0.994 6.109 -4.507 1.00 0.00 C ATOM 0 H ALA A 21 1.426 6.938 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.302 7.802 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.561 5.748 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.881 6.704 -4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.271 5.259 -3.883 1.00 0.00 H new ATOM 327 N LEU A 22 -1.328 5.398 -2.392 1.00 0.00 N ATOM 328 CA LEU A 22 -2.492 4.613 -1.977 1.00 0.00 C ATOM 329 C LEU A 22 -3.626 5.545 -1.584 1.00 0.00 C ATOM 330 O LEU A 22 -4.776 5.324 -1.947 1.00 0.00 O ATOM 331 CB LEU A 22 -2.141 3.690 -0.799 1.00 0.00 C ATOM 332 CG LEU A 22 -1.518 2.365 -1.267 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.775 1.698 -0.111 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.605 1.413 -1.774 1.00 0.00 C ATOM 0 H LEU A 22 -0.513 5.263 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.806 3.992 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.446 4.201 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.042 3.482 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.821 2.583 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.337 0.760 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.015 2.360 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.472 1.498 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.147 0.480 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.313 1.208 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.130 1.873 -2.611 1.00 0.00 H new ATOM 346 N LYS A 23 -3.310 6.631 -0.879 1.00 0.00 N ATOM 347 CA LYS A 23 -4.292 7.621 -0.444 1.00 0.00 C ATOM 348 C LYS A 23 -5.007 8.315 -1.609 1.00 0.00 C ATOM 349 O LYS A 23 -5.966 9.043 -1.355 1.00 0.00 O ATOM 350 CB LYS A 23 -3.598 8.632 0.476 1.00 0.00 C ATOM 351 CG LYS A 23 -3.205 8.012 1.830 1.00 0.00 C ATOM 352 CD LYS A 23 -2.037 8.726 2.528 1.00 0.00 C ATOM 353 CE LYS A 23 -2.395 9.927 3.401 1.00 0.00 C ATOM 354 NZ LYS A 23 -3.390 10.825 2.790 1.00 0.00 N ATOM 0 H LYS A 23 -2.356 6.849 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.079 7.102 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.706 9.017 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.260 9.481 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.072 8.026 2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.938 6.966 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.514 7.998 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.334 9.058 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.779 9.569 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.489 10.494 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.535 11.651 3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.048 11.141 1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.290 10.318 2.673 1.00 0.00 H new ATOM 368 N LYS A 24 -4.551 8.167 -2.858 1.00 0.00 N ATOM 369 CA LYS A 24 -5.204 8.778 -4.018 1.00 0.00 C ATOM 370 C LYS A 24 -6.455 7.988 -4.409 1.00 0.00 C ATOM 371 O LYS A 24 -7.295 8.515 -5.141 1.00 0.00 O ATOM 372 CB LYS A 24 -4.256 8.798 -5.224 1.00 0.00 C ATOM 373 CG LYS A 24 -2.949 9.558 -4.976 1.00 0.00 C ATOM 374 CD LYS A 24 -1.904 9.262 -6.052 1.00 0.00 C ATOM 375 CE LYS A 24 -2.298 9.808 -7.423 1.00 0.00 C ATOM 376 NZ LYS A 24 -1.230 9.530 -8.394 1.00 0.00 N ATOM 0 H LYS A 24 -3.721 7.622 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.477 9.797 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.020 7.772 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.772 9.250 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.151 10.629 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.551 9.286 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.949 9.695 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.757 8.184 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.231 9.350 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.475 10.882 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.502 9.903 -9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.349 9.987 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.082 8.503 -8.462 1.00 0.00 H new ATOM 390 N VAL A 25 -6.553 6.725 -3.988 1.00 0.00 N ATOM 391 CA VAL A 25 -7.678 5.850 -4.268 1.00 0.00 C ATOM 392 C VAL A 25 -8.900 6.476 -3.577 1.00 0.00 C ATOM 393 O VAL A 25 -8.823 6.792 -2.386 1.00 0.00 O ATOM 394 CB VAL A 25 -7.328 4.434 -3.780 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.510 3.461 -3.858 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.122 3.882 -4.557 1.00 0.00 C ATOM 0 H VAL A 25 -5.828 6.277 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.907 5.752 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.069 4.522 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.198 2.480 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.327 3.831 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.847 3.380 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.887 2.879 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.361 3.842 -5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.261 4.533 -4.403 1.00 0.00 H new ATOM 406 N PRO A 26 -10.025 6.670 -4.288 1.00 0.00 N ATOM 407 CA PRO A 26 -11.216 7.284 -3.724 1.00 0.00 C ATOM 408 C PRO A 26 -11.869 6.383 -2.674 1.00 0.00 C ATOM 409 O PRO A 26 -12.610 5.457 -3.011 1.00 0.00 O ATOM 410 CB PRO A 26 -12.119 7.610 -4.920 1.00 0.00 C ATOM 411 CG PRO A 26 -11.719 6.574 -5.969 1.00 0.00 C ATOM 412 CD PRO A 26 -10.239 6.324 -5.688 1.00 0.00 C ATOM 0 HA PRO A 26 -10.991 8.197 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.174 7.529 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.957 8.626 -5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.305 5.660 -5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.877 6.948 -6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.978 5.282 -5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.611 6.932 -6.339 1.00 0.00 H new ATOM 420 N GLY A 27 -11.627 6.669 -1.394 1.00 0.00 N ATOM 421 CA GLY A 27 -12.169 5.929 -0.257 1.00 0.00 C ATOM 422 C GLY A 27 -11.117 5.648 0.810 1.00 0.00 C ATOM 423 O GLY A 27 -11.426 5.128 1.883 1.00 0.00 O ATOM 0 H GLY A 27 -11.030 7.446 -1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.988 6.497 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.588 4.986 -0.608 1.00 0.00 H new ATOM 427 N VAL A 28 -9.851 5.948 0.528 1.00 0.00 N ATOM 428 CA VAL A 28 -8.766 5.734 1.463 1.00 0.00 C ATOM 429 C VAL A 28 -8.684 6.871 2.474 1.00 0.00 C ATOM 430 O VAL A 28 -8.203 7.964 2.173 1.00 0.00 O ATOM 431 CB VAL A 28 -7.453 5.503 0.709 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.289 5.290 1.679 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.585 4.230 -0.121 1.00 0.00 C ATOM 0 H VAL A 28 -9.555 6.348 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.963 4.830 2.040 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.258 6.379 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.370 5.129 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.177 6.171 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.490 4.419 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.657 4.052 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.788 3.386 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.405 4.342 -0.830 1.00 0.00 H new ATOM 443 N GLU A 29 -9.142 6.571 3.685 1.00 0.00 N ATOM 444 CA GLU A 29 -9.141 7.471 4.822 1.00 0.00 C ATOM 445 C GLU A 29 -7.705 7.548 5.330 1.00 0.00 C ATOM 446 O GLU A 29 -7.130 8.633 5.377 1.00 0.00 O ATOM 447 CB GLU A 29 -10.084 6.920 5.898 1.00 0.00 C ATOM 448 CG GLU A 29 -11.554 7.034 5.475 1.00 0.00 C ATOM 449 CD GLU A 29 -12.153 8.423 5.727 1.00 0.00 C ATOM 450 OE1 GLU A 29 -11.434 9.450 5.697 1.00 0.00 O ATOM 451 OE2 GLU A 29 -13.374 8.510 5.981 1.00 0.00 O ATOM 0 H GLU A 29 -9.539 5.657 3.905 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.490 8.468 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.842 5.876 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.930 7.464 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.639 6.797 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.139 6.290 6.016 1.00 0.00 H new ATOM 458 N LYS A 30 -7.108 6.398 5.671 1.00 0.00 N ATOM 459 CA LYS A 30 -5.740 6.293 6.163 1.00 0.00 C ATOM 460 C LYS A 30 -5.161 4.968 5.708 1.00 0.00 C ATOM 461 O LYS A 30 -5.895 4.043 5.339 1.00 0.00 O ATOM 462 CB LYS A 30 -5.739 6.485 7.690 1.00 0.00 C ATOM 463 CG LYS A 30 -4.367 6.583 8.386 1.00 0.00 C ATOM 464 CD LYS A 30 -3.967 5.321 9.174 1.00 0.00 C ATOM 465 CE LYS A 30 -2.714 5.512 10.049 1.00 0.00 C ATOM 466 NZ LYS A 30 -2.870 6.580 11.068 1.00 0.00 N ATOM 0 H LYS A 30 -7.580 5.496 5.608 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.099 7.074 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.299 7.392 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.285 5.654 8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.604 6.785 7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.377 7.435 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.800 5.020 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.789 4.506 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.482 4.572 10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.865 5.751 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.096 6.516 11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.843 7.510 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.781 6.463 11.556 1.00 0.00 H new ATOM 480 N VAL A 31 -3.838 4.889 5.721 1.00 0.00 N ATOM 481 CA VAL A 31 -3.066 3.728 5.329 1.00 0.00 C ATOM 482 C VAL A 31 -1.976 3.562 6.379 1.00 0.00 C ATOM 483 O VAL A 31 -1.575 4.541 7.015 1.00 0.00 O ATOM 484 CB VAL A 31 -2.438 3.937 3.930 1.00 0.00 C ATOM 485 CG1 VAL A 31 -1.915 2.643 3.297 1.00 0.00 C ATOM 486 CG2 VAL A 31 -3.414 4.527 2.912 1.00 0.00 C ATOM 0 H VAL A 31 -3.252 5.669 6.019 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.697 2.841 5.269 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.620 4.628 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.488 2.863 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.148 2.209 3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.736 1.935 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.910 4.648 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.265 3.856 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.763 5.498 3.263 1.00 0.00 H new ATOM 496 N GLU A 32 -1.501 2.336 6.560 1.00 0.00 N ATOM 497 CA GLU A 32 -0.447 1.999 7.487 1.00 0.00 C ATOM 498 C GLU A 32 0.472 1.025 6.751 1.00 0.00 C ATOM 499 O GLU A 32 0.225 -0.182 6.716 1.00 0.00 O ATOM 500 CB GLU A 32 -1.021 1.496 8.819 1.00 0.00 C ATOM 501 CG GLU A 32 0.059 1.460 9.902 1.00 0.00 C ATOM 502 CD GLU A 32 0.677 2.840 10.132 1.00 0.00 C ATOM 503 OE1 GLU A 32 0.125 3.631 10.926 1.00 0.00 O ATOM 504 OE2 GLU A 32 1.746 3.138 9.542 1.00 0.00 O ATOM 0 H GLU A 32 -1.855 1.529 6.046 1.00 0.00 H new ATOM 0 HA GLU A 32 0.146 2.862 7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.837 2.145 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.440 0.499 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.372 1.095 10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.839 0.755 9.614 1.00 0.00 H new ATOM 511 N VAL A 33 1.481 1.569 6.075 1.00 0.00 N ATOM 512 CA VAL A 33 2.470 0.832 5.292 1.00 0.00 C ATOM 513 C VAL A 33 3.727 0.685 6.145 1.00 0.00 C ATOM 514 O VAL A 33 4.103 1.650 6.819 1.00 0.00 O ATOM 515 CB VAL A 33 2.746 1.601 3.978 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.572 0.781 2.982 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.458 2.028 3.257 1.00 0.00 C ATOM 0 H VAL A 33 1.638 2.577 6.057 1.00 0.00 H new ATOM 0 HA VAL A 33 2.113 -0.162 5.022 1.00 0.00 H new ATOM 0 HB VAL A 33 3.304 2.483 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.737 1.366 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.533 0.525 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.035 -0.133 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.713 2.563 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.870 1.144 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.876 2.680 3.908 1.00 0.00 H new ATOM 527 N SER A 34 4.392 -0.475 6.136 1.00 0.00 N ATOM 528 CA SER A 34 5.595 -0.689 6.933 1.00 0.00 C ATOM 529 C SER A 34 6.756 -1.182 6.079 1.00 0.00 C ATOM 530 O SER A 34 6.598 -2.076 5.246 1.00 0.00 O ATOM 531 CB SER A 34 5.296 -1.658 8.074 1.00 0.00 C ATOM 532 OG SER A 34 6.302 -1.602 9.075 1.00 0.00 O ATOM 0 H SER A 34 4.111 -1.283 5.580 1.00 0.00 H new ATOM 0 HA SER A 34 5.900 0.268 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.328 -1.418 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.225 -2.673 7.683 1.00 0.00 H new ATOM 0 HG SER A 34 6.084 -2.231 9.794 1.00 0.00 H new ATOM 538 N LEU A 35 7.933 -0.605 6.346 1.00 0.00 N ATOM 539 CA LEU A 35 9.185 -0.908 5.668 1.00 0.00 C ATOM 540 C LEU A 35 9.583 -2.357 5.901 1.00 0.00 C ATOM 541 O LEU A 35 9.730 -3.132 4.959 1.00 0.00 O ATOM 542 CB LEU A 35 10.302 0.029 6.184 1.00 0.00 C ATOM 543 CG LEU A 35 11.675 -0.247 5.540 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.643 -0.042 4.025 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.720 0.689 6.146 1.00 0.00 C ATOM 0 H LEU A 35 8.037 0.110 7.066 1.00 0.00 H new ATOM 0 HA LEU A 35 9.046 -0.752 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.018 1.063 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.387 -0.080 7.265 1.00 0.00 H new ATOM 0 HG LEU A 35 11.931 -1.288 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.630 -0.246 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.915 -0.721 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.362 0.987 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.691 0.494 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.433 1.724 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.782 0.518 7.221 1.00 0.00 H new ATOM 557 N GLU A 36 9.779 -2.692 7.173 1.00 0.00 N ATOM 558 CA GLU A 36 10.187 -4.005 7.629 1.00 0.00 C ATOM 559 C GLU A 36 9.199 -5.092 7.221 1.00 0.00 C ATOM 560 O GLU A 36 9.620 -6.126 6.701 1.00 0.00 O ATOM 561 CB GLU A 36 10.425 -3.956 9.150 1.00 0.00 C ATOM 562 CG GLU A 36 9.152 -3.684 9.972 1.00 0.00 C ATOM 563 CD GLU A 36 9.465 -3.130 11.356 1.00 0.00 C ATOM 564 OE1 GLU A 36 9.859 -1.944 11.436 1.00 0.00 O ATOM 565 OE2 GLU A 36 9.326 -3.882 12.350 1.00 0.00 O ATOM 0 H GLU A 36 9.652 -2.028 7.937 1.00 0.00 H new ATOM 0 HA GLU A 36 11.123 -4.277 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.857 -4.904 9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.159 -3.181 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.519 -2.977 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.583 -4.608 10.073 1.00 0.00 H new ATOM 572 N LYS A 37 7.895 -4.871 7.404 1.00 0.00 N ATOM 573 CA LYS A 37 6.930 -5.899 7.053 1.00 0.00 C ATOM 574 C LYS A 37 6.716 -6.029 5.547 1.00 0.00 C ATOM 575 O LYS A 37 6.477 -7.143 5.082 1.00 0.00 O ATOM 576 CB LYS A 37 5.597 -5.635 7.745 1.00 0.00 C ATOM 577 CG LYS A 37 5.632 -5.477 9.264 1.00 0.00 C ATOM 578 CD LYS A 37 4.209 -5.152 9.734 1.00 0.00 C ATOM 579 CE LYS A 37 4.074 -5.228 11.249 1.00 0.00 C ATOM 580 NZ LYS A 37 4.211 -6.608 11.753 1.00 0.00 N ATOM 0 H LYS A 37 7.497 -4.012 7.783 1.00 0.00 H new ATOM 0 HA LYS A 37 7.346 -6.845 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.166 -4.729 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.920 -6.455 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.990 -6.392 9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.320 -4.681 9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.936 -4.152 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.508 -5.847 9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.833 -4.597 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.104 -4.829 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.898 -6.648 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.625 -7.247 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.207 -6.903 11.692 1.00 0.00 H new ATOM 594 N GLY A 38 6.833 -4.953 4.769 1.00 0.00 N ATOM 595 CA GLY A 38 6.611 -5.028 3.333 1.00 0.00 C ATOM 596 C GLY A 38 5.115 -5.205 3.070 1.00 0.00 C ATOM 597 O GLY A 38 4.711 -6.019 2.243 1.00 0.00 O ATOM 0 H GLY A 38 7.079 -4.024 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.974 -4.122 2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.169 -5.862 2.909 1.00 0.00 H new ATOM 601 N GLU A 39 4.266 -4.496 3.814 1.00 0.00 N ATOM 602 CA GLU A 39 2.819 -4.557 3.656 1.00 0.00 C ATOM 603 C GLU A 39 2.247 -3.152 3.743 1.00 0.00 C ATOM 604 O GLU A 39 2.944 -2.199 4.104 1.00 0.00 O ATOM 605 CB GLU A 39 2.145 -5.569 4.615 1.00 0.00 C ATOM 606 CG GLU A 39 2.645 -5.649 6.056 1.00 0.00 C ATOM 607 CD GLU A 39 2.198 -4.528 7.010 1.00 0.00 C ATOM 608 OE1 GLU A 39 2.768 -3.418 6.973 1.00 0.00 O ATOM 609 OE2 GLU A 39 1.355 -4.808 7.899 1.00 0.00 O ATOM 0 H GLU A 39 4.570 -3.858 4.550 1.00 0.00 H new ATOM 0 HA GLU A 39 2.590 -4.952 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.080 -5.339 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.244 -6.561 4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.320 -6.601 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.735 -5.664 6.037 1.00 0.00 H new ATOM 616 N ALA A 40 0.980 -3.046 3.355 1.00 0.00 N ATOM 617 CA ALA A 40 0.190 -1.838 3.330 1.00 0.00 C ATOM 618 C ALA A 40 -1.182 -2.198 3.869 1.00 0.00 C ATOM 619 O ALA A 40 -1.831 -3.113 3.353 1.00 0.00 O ATOM 620 CB ALA A 40 0.102 -1.303 1.899 1.00 0.00 C ATOM 0 H ALA A 40 0.453 -3.857 3.031 1.00 0.00 H new ATOM 0 HA ALA A 40 0.639 -1.053 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.496 -0.391 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.104 -1.085 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.365 -2.051 1.259 1.00 0.00 H new ATOM 626 N LEU A 41 -1.635 -1.511 4.913 1.00 0.00 N ATOM 627 CA LEU A 41 -2.938 -1.754 5.524 1.00 0.00 C ATOM 628 C LEU A 41 -3.803 -0.539 5.228 1.00 0.00 C ATOM 629 O LEU A 41 -3.274 0.569 5.272 1.00 0.00 O ATOM 630 CB LEU A 41 -2.803 -2.007 7.028 1.00 0.00 C ATOM 631 CG LEU A 41 -1.865 -3.170 7.411 1.00 0.00 C ATOM 632 CD1 LEU A 41 -2.031 -3.440 8.905 1.00 0.00 C ATOM 633 CD2 LEU A 41 -2.177 -4.459 6.644 1.00 0.00 C ATOM 0 H LEU A 41 -1.105 -0.765 5.362 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.400 -2.651 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.440 -1.096 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.793 -2.208 7.438 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.846 -2.878 7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.377 -4.260 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.768 -2.544 9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.067 -3.709 9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.486 -5.243 6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.199 -4.771 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.068 -4.281 5.574 1.00 0.00 H new ATOM 645 N VAL A 42 -5.107 -0.694 4.982 1.00 0.00 N ATOM 646 CA VAL A 42 -5.990 0.422 4.658 1.00 0.00 C ATOM 647 C VAL A 42 -7.130 0.502 5.653 1.00 0.00 C ATOM 648 O VAL A 42 -7.863 -0.459 5.877 1.00 0.00 O ATOM 649 CB VAL A 42 -6.451 0.288 3.195 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.620 1.214 2.820 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.268 0.624 2.284 1.00 0.00 C ATOM 0 H VAL A 42 -5.577 -1.599 5.003 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.460 1.370 4.743 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.803 -0.736 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.885 1.060 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.480 0.987 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.324 2.252 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.575 0.535 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.937 1.644 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.449 -0.067 2.482 1.00 0.00 H new ATOM 661 N GLU A 43 -7.275 1.687 6.231 1.00 0.00 N ATOM 662 CA GLU A 43 -8.281 2.062 7.210 1.00 0.00 C ATOM 663 C GLU A 43 -9.502 2.692 6.511 1.00 0.00 C ATOM 664 O GLU A 43 -10.421 3.165 7.173 1.00 0.00 O ATOM 665 CB GLU A 43 -7.599 3.052 8.173 1.00 0.00 C ATOM 666 CG GLU A 43 -8.098 2.920 9.611 1.00 0.00 C ATOM 667 CD GLU A 43 -7.160 3.630 10.590 1.00 0.00 C ATOM 668 OE1 GLU A 43 -7.174 4.878 10.671 1.00 0.00 O ATOM 669 OE2 GLU A 43 -6.360 2.930 11.256 1.00 0.00 O ATOM 0 H GLU A 43 -6.650 2.462 6.012 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.655 1.197 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.521 2.889 8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.775 4.070 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.099 3.343 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.175 1.866 9.877 1.00 0.00 H new ATOM 676 N GLY A 44 -9.488 2.749 5.174 1.00 0.00 N ATOM 677 CA GLY A 44 -10.536 3.307 4.334 1.00 0.00 C ATOM 678 C GLY A 44 -11.533 2.258 3.852 1.00 0.00 C ATOM 679 O GLY A 44 -11.419 1.068 4.154 1.00 0.00 O ATOM 0 H GLY A 44 -8.705 2.388 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.069 4.078 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.082 3.793 3.470 1.00 0.00 H new ATOM 683 N THR A 45 -12.508 2.700 3.069 1.00 0.00 N ATOM 684 CA THR A 45 -13.589 1.907 2.501 1.00 0.00 C ATOM 685 C THR A 45 -13.271 1.457 1.072 1.00 0.00 C ATOM 686 O THR A 45 -14.099 0.824 0.420 1.00 0.00 O ATOM 687 CB THR A 45 -14.865 2.766 2.584 1.00 0.00 C ATOM 688 OG1 THR A 45 -14.608 4.064 2.073 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.322 2.939 4.040 1.00 0.00 C ATOM 0 H THR A 45 -12.568 3.681 2.797 1.00 0.00 H new ATOM 0 HA THR A 45 -13.728 0.982 3.061 1.00 0.00 H new ATOM 0 HB THR A 45 -15.636 2.257 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.424 4.604 2.127 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.225 3.550 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.532 1.961 4.474 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.535 3.429 4.613 1.00 0.00 H new ATOM 697 N ALA A 46 -12.058 1.752 0.596 1.00 0.00 N ATOM 698 CA ALA A 46 -11.601 1.410 -0.741 1.00 0.00 C ATOM 699 C ALA A 46 -11.596 -0.115 -0.999 1.00 0.00 C ATOM 700 O ALA A 46 -11.670 -0.909 -0.054 1.00 0.00 O ATOM 701 CB ALA A 46 -10.202 1.994 -0.941 1.00 0.00 C ATOM 0 H ALA A 46 -11.356 2.246 1.147 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.300 1.837 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.844 1.746 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.240 3.077 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.523 1.575 -0.198 1.00 0.00 H new ATOM 707 N ASP A 47 -11.475 -0.513 -2.272 1.00 0.00 N ATOM 708 CA ASP A 47 -11.427 -1.901 -2.766 1.00 0.00 C ATOM 709 C ASP A 47 -9.969 -2.327 -2.944 1.00 0.00 C ATOM 710 O ASP A 47 -9.154 -1.503 -3.362 1.00 0.00 O ATOM 711 CB ASP A 47 -12.075 -2.023 -4.150 1.00 0.00 C ATOM 712 CG ASP A 47 -13.578 -2.223 -4.059 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.000 -3.344 -3.674 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.297 -1.258 -4.396 1.00 0.00 O ATOM 0 H ASP A 47 -11.404 0.163 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.955 -2.520 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.863 -1.125 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.630 -2.861 -4.686 1.00 0.00 H new ATOM 719 N PRO A 48 -9.609 -3.605 -2.744 1.00 0.00 N ATOM 720 CA PRO A 48 -8.229 -4.049 -2.891 1.00 0.00 C ATOM 721 C PRO A 48 -7.736 -3.972 -4.328 1.00 0.00 C ATOM 722 O PRO A 48 -6.633 -3.480 -4.541 1.00 0.00 O ATOM 723 CB PRO A 48 -8.165 -5.455 -2.331 1.00 0.00 C ATOM 724 CG PRO A 48 -9.598 -5.948 -2.416 1.00 0.00 C ATOM 725 CD PRO A 48 -10.450 -4.692 -2.279 1.00 0.00 C ATOM 0 HA PRO A 48 -7.558 -3.387 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.491 -6.085 -2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.801 -5.460 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.787 -6.453 -3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.818 -6.664 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.360 -4.767 -2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.758 -4.536 -1.245 1.00 0.00 H new ATOM 733 N LYS A 49 -8.543 -4.367 -5.320 1.00 0.00 N ATOM 734 CA LYS A 49 -8.120 -4.295 -6.723 1.00 0.00 C ATOM 735 C LYS A 49 -7.767 -2.867 -7.135 1.00 0.00 C ATOM 736 O LYS A 49 -6.917 -2.655 -7.996 1.00 0.00 O ATOM 737 CB LYS A 49 -9.187 -4.898 -7.640 1.00 0.00 C ATOM 738 CG LYS A 49 -10.544 -4.181 -7.614 1.00 0.00 C ATOM 739 CD LYS A 49 -11.542 -5.013 -8.420 1.00 0.00 C ATOM 740 CE LYS A 49 -12.938 -4.396 -8.461 1.00 0.00 C ATOM 741 NZ LYS A 49 -12.959 -3.190 -9.305 1.00 0.00 N ATOM 0 H LYS A 49 -9.483 -4.736 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.211 -4.888 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.810 -4.894 -8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.338 -5.941 -7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.891 -4.062 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.453 -3.181 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.172 -5.128 -9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.605 -6.012 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.650 -5.126 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.257 -4.142 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.923 -2.800 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.308 -2.480 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.661 -3.437 -10.270 1.00 0.00 H new ATOM 755 N ALA A 50 -8.423 -1.889 -6.513 1.00 0.00 N ATOM 756 CA ALA A 50 -8.206 -0.480 -6.770 1.00 0.00 C ATOM 757 C ALA A 50 -7.008 0.061 -5.979 1.00 0.00 C ATOM 758 O ALA A 50 -6.454 1.089 -6.375 1.00 0.00 O ATOM 759 CB ALA A 50 -9.479 0.270 -6.372 1.00 0.00 C ATOM 0 H ALA A 50 -9.134 -2.065 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.983 -0.336 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.345 1.336 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.318 -0.097 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.682 0.106 -5.314 1.00 0.00 H new ATOM 765 N LEU A 51 -6.649 -0.593 -4.867 1.00 0.00 N ATOM 766 CA LEU A 51 -5.546 -0.262 -3.970 1.00 0.00 C ATOM 767 C LEU A 51 -4.249 -0.817 -4.535 1.00 0.00 C ATOM 768 O LEU A 51 -3.327 -0.042 -4.752 1.00 0.00 O ATOM 769 CB LEU A 51 -5.781 -0.828 -2.557 1.00 0.00 C ATOM 770 CG LEU A 51 -6.851 -0.077 -1.749 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.334 -0.936 -0.572 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.318 1.249 -1.221 1.00 0.00 C ATOM 0 H LEU A 51 -7.157 -1.420 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.484 0.823 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.073 -1.875 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.841 -0.802 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.686 0.126 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.091 -0.390 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.762 -1.864 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.492 -1.165 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.099 1.755 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.461 1.065 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.012 1.877 -2.058 1.00 0.00 H new ATOM 784 N VAL A 52 -4.175 -2.128 -4.793 1.00 0.00 N ATOM 785 CA VAL A 52 -3.008 -2.808 -5.341 1.00 0.00 C ATOM 786 C VAL A 52 -2.519 -2.075 -6.591 1.00 0.00 C ATOM 787 O VAL A 52 -1.319 -1.845 -6.734 1.00 0.00 O ATOM 788 CB VAL A 52 -3.346 -4.302 -5.580 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.323 -4.559 -6.725 1.00 0.00 C ATOM 790 CG2 VAL A 52 -2.098 -5.134 -5.853 1.00 0.00 C ATOM 0 H VAL A 52 -4.955 -2.761 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.179 -2.787 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.824 -4.602 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.500 -5.630 -6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.266 -4.052 -6.520 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.901 -4.179 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.382 -6.174 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.594 -4.753 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.424 -5.071 -4.998 1.00 0.00 H new ATOM 800 N GLN A 53 -3.445 -1.613 -7.441 1.00 0.00 N ATOM 801 CA GLN A 53 -3.104 -0.900 -8.654 1.00 0.00 C ATOM 802 C GLN A 53 -2.288 0.354 -8.341 1.00 0.00 C ATOM 803 O GLN A 53 -1.310 0.624 -9.033 1.00 0.00 O ATOM 804 CB GLN A 53 -4.387 -0.553 -9.415 1.00 0.00 C ATOM 805 CG GLN A 53 -4.086 -0.013 -10.819 1.00 0.00 C ATOM 806 CD GLN A 53 -3.279 -1.007 -11.656 1.00 0.00 C ATOM 807 OE1 GLN A 53 -1.973 -0.835 -11.763 1.00 0.00 O flip ATOM 808 NE2 GLN A 53 -3.822 -1.983 -12.164 1.00 0.00 N flip ATOM 0 H GLN A 53 -4.448 -1.729 -7.297 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.483 -1.538 -9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.015 -1.441 -9.493 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.954 0.190 -8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.023 0.213 -11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.534 0.923 -10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.830 -2.108 -12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.265 -2.669 -12.673 1.00 0.00 H new ATOM 817 N ALA A 54 -2.686 1.121 -7.319 1.00 0.00 N ATOM 818 CA ALA A 54 -1.980 2.336 -6.915 1.00 0.00 C ATOM 819 C ALA A 54 -0.557 2.044 -6.402 1.00 0.00 C ATOM 820 O ALA A 54 0.234 2.978 -6.260 1.00 0.00 O ATOM 821 CB ALA A 54 -2.798 3.094 -5.866 1.00 0.00 C ATOM 0 H ALA A 54 -3.507 0.914 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.869 2.963 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.264 3.997 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.766 3.366 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.947 2.459 -4.992 1.00 0.00 H new ATOM 827 N VAL A 55 -0.225 0.787 -6.095 1.00 0.00 N ATOM 828 CA VAL A 55 1.096 0.369 -5.632 1.00 0.00 C ATOM 829 C VAL A 55 1.900 -0.082 -6.846 1.00 0.00 C ATOM 830 O VAL A 55 3.063 0.301 -6.980 1.00 0.00 O ATOM 831 CB VAL A 55 1.005 -0.709 -4.538 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.376 -0.900 -3.885 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.012 -0.351 -3.426 1.00 0.00 C ATOM 0 H VAL A 55 -0.887 0.014 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 55 1.609 1.206 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 55 0.660 -1.617 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.307 -1.664 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.098 -1.212 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.701 0.040 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.007 -1.150 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.320 0.579 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.983 -0.228 -3.853 1.00 0.00 H new ATOM 843 N GLU A 56 1.290 -0.848 -7.757 1.00 0.00 N ATOM 844 CA GLU A 56 1.988 -1.287 -8.955 1.00 0.00 C ATOM 845 C GLU A 56 2.339 -0.065 -9.809 1.00 0.00 C ATOM 846 O GLU A 56 3.360 -0.047 -10.492 1.00 0.00 O ATOM 847 CB GLU A 56 1.147 -2.253 -9.784 1.00 0.00 C ATOM 848 CG GLU A 56 0.808 -3.585 -9.116 1.00 0.00 C ATOM 849 CD GLU A 56 0.096 -4.482 -10.131 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.040 -4.155 -10.547 1.00 0.00 O ATOM 851 OE2 GLU A 56 0.718 -5.478 -10.574 1.00 0.00 O ATOM 0 H GLU A 56 0.325 -1.170 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 56 2.891 -1.812 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.215 -1.755 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.677 -2.459 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.717 -4.069 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.171 -3.420 -8.247 1.00 0.00 H new ATOM 858 N GLU A 57 1.514 0.983 -9.753 1.00 0.00 N ATOM 859 CA GLU A 57 1.711 2.220 -10.488 1.00 0.00 C ATOM 860 C GLU A 57 2.990 2.933 -10.044 1.00 0.00 C ATOM 861 O GLU A 57 3.587 3.649 -10.851 1.00 0.00 O ATOM 862 CB GLU A 57 0.462 3.101 -10.335 1.00 0.00 C ATOM 863 CG GLU A 57 -0.627 2.672 -11.334 1.00 0.00 C ATOM 864 CD GLU A 57 -0.420 3.306 -12.709 1.00 0.00 C ATOM 865 OE1 GLU A 57 0.659 3.122 -13.325 1.00 0.00 O ATOM 866 OE2 GLU A 57 -1.317 4.063 -13.150 1.00 0.00 O ATOM 0 H GLU A 57 0.671 0.988 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 57 1.844 1.998 -11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.080 3.026 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.724 4.146 -10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.624 1.586 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.606 2.955 -10.947 1.00 0.00 H new ATOM 873 N GLU A 58 3.427 2.735 -8.799 1.00 0.00 N ATOM 874 CA GLU A 58 4.642 3.333 -8.261 1.00 0.00 C ATOM 875 C GLU A 58 5.886 2.546 -8.702 1.00 0.00 C ATOM 876 O GLU A 58 7.003 3.018 -8.492 1.00 0.00 O ATOM 877 CB GLU A 58 4.566 3.380 -6.727 1.00 0.00 C ATOM 878 CG GLU A 58 3.726 4.527 -6.162 1.00 0.00 C ATOM 879 CD GLU A 58 4.509 5.832 -6.219 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.654 6.434 -7.311 1.00 0.00 O ATOM 881 OE2 GLU A 58 5.048 6.253 -5.172 1.00 0.00 O ATOM 0 H GLU A 58 2.936 2.144 -8.128 1.00 0.00 H new ATOM 0 HA GLU A 58 4.726 4.348 -8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.155 2.436 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.578 3.459 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.801 4.624 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.445 4.308 -5.132 1.00 0.00 H new ATOM 888 N GLY A 59 5.718 1.368 -9.313 1.00 0.00 N ATOM 889 CA GLY A 59 6.816 0.531 -9.783 1.00 0.00 C ATOM 890 C GLY A 59 7.061 -0.696 -8.913 1.00 0.00 C ATOM 891 O GLY A 59 7.924 -1.512 -9.252 1.00 0.00 O ATOM 0 H GLY A 59 4.798 0.967 -9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.605 0.208 -10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.727 1.128 -9.820 1.00 0.00 H new ATOM 895 N TYR A 60 6.383 -0.817 -7.773 1.00 0.00 N ATOM 896 CA TYR A 60 6.545 -1.956 -6.878 1.00 0.00 C ATOM 897 C TYR A 60 5.609 -3.066 -7.359 1.00 0.00 C ATOM 898 O TYR A 60 4.884 -2.889 -8.339 1.00 0.00 O ATOM 899 CB TYR A 60 6.233 -1.519 -5.437 1.00 0.00 C ATOM 900 CG TYR A 60 6.984 -0.278 -4.984 1.00 0.00 C ATOM 901 CD1 TYR A 60 8.375 -0.314 -4.768 1.00 0.00 C ATOM 902 CD2 TYR A 60 6.289 0.932 -4.826 1.00 0.00 C ATOM 903 CE1 TYR A 60 9.075 0.857 -4.416 1.00 0.00 C ATOM 904 CE2 TYR A 60 6.982 2.109 -4.497 1.00 0.00 C ATOM 905 CZ TYR A 60 8.378 2.084 -4.313 1.00 0.00 C ATOM 906 OH TYR A 60 9.045 3.250 -4.073 1.00 0.00 O ATOM 0 H TYR A 60 5.707 -0.127 -7.446 1.00 0.00 H new ATOM 0 HA TYR A 60 7.568 -2.332 -6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.162 -1.334 -5.350 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.471 -2.340 -4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.910 -1.247 -4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.217 0.958 -4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.137 0.818 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.442 3.037 -4.385 1.00 0.00 H new ATOM 0 HH TYR A 60 8.405 3.991 -4.035 1.00 0.00 H new ATOM 916 N LYS A 61 5.632 -4.221 -6.703 1.00 0.00 N ATOM 917 CA LYS A 61 4.766 -5.348 -7.042 1.00 0.00 C ATOM 918 C LYS A 61 3.870 -5.504 -5.837 1.00 0.00 C ATOM 919 O LYS A 61 4.378 -5.430 -4.713 1.00 0.00 O ATOM 920 CB LYS A 61 5.575 -6.619 -7.322 1.00 0.00 C ATOM 921 CG LYS A 61 6.465 -6.419 -8.550 1.00 0.00 C ATOM 922 CD LYS A 61 7.348 -7.639 -8.820 1.00 0.00 C ATOM 923 CE LYS A 61 8.514 -7.219 -9.717 1.00 0.00 C ATOM 924 NZ LYS A 61 9.558 -6.494 -8.960 1.00 0.00 N ATOM 0 H LYS A 61 6.255 -4.404 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 61 4.198 -5.174 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.188 -6.867 -6.456 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.901 -7.459 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.841 -6.222 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.094 -5.541 -8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.723 -8.048 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.767 -8.426 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.951 -8.103 -10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.143 -6.585 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.429 -6.450 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.230 -5.529 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.750 -6.993 -8.068 1.00 0.00 H new ATOM 938 N ALA A 62 2.565 -5.666 -6.034 1.00 0.00 N ATOM 939 CA ALA A 62 1.660 -5.816 -4.909 1.00 0.00 C ATOM 940 C ALA A 62 0.615 -6.902 -5.155 1.00 0.00 C ATOM 941 O ALA A 62 0.308 -7.249 -6.298 1.00 0.00 O ATOM 942 CB ALA A 62 1.065 -4.444 -4.580 1.00 0.00 C ATOM 0 H ALA A 62 2.119 -5.696 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 62 2.206 -6.166 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.381 -4.537 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.867 -3.752 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.523 -4.065 -5.446 1.00 0.00 H new ATOM 948 N GLU A 63 0.050 -7.417 -4.061 1.00 0.00 N ATOM 949 CA GLU A 63 -0.964 -8.466 -4.042 1.00 0.00 C ATOM 950 C GLU A 63 -1.752 -8.410 -2.724 1.00 0.00 C ATOM 951 O GLU A 63 -1.184 -8.239 -1.640 1.00 0.00 O ATOM 952 CB GLU A 63 -0.289 -9.838 -4.226 1.00 0.00 C ATOM 953 CG GLU A 63 0.742 -10.168 -3.131 1.00 0.00 C ATOM 954 CD GLU A 63 1.564 -11.402 -3.466 1.00 0.00 C ATOM 955 OE1 GLU A 63 2.344 -11.365 -4.438 1.00 0.00 O ATOM 956 OE2 GLU A 63 1.485 -12.412 -2.727 1.00 0.00 O ATOM 0 H GLU A 63 0.300 -7.098 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.666 -8.313 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.056 -10.613 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.204 -9.864 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.408 -9.316 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.226 -10.324 -2.184 1.00 0.00 H new ATOM 963 N VAL A 64 -3.074 -8.540 -2.793 1.00 0.00 N ATOM 964 CA VAL A 64 -3.946 -8.498 -1.630 1.00 0.00 C ATOM 965 C VAL A 64 -3.894 -9.830 -0.878 1.00 0.00 C ATOM 966 O VAL A 64 -4.045 -10.902 -1.467 1.00 0.00 O ATOM 967 CB VAL A 64 -5.376 -8.106 -2.059 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.165 -9.195 -2.800 1.00 0.00 C ATOM 969 CG2 VAL A 64 -6.182 -7.648 -0.841 1.00 0.00 C ATOM 0 H VAL A 64 -3.573 -8.679 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.599 -7.733 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.237 -7.298 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.155 -8.817 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.635 -9.471 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.266 -10.071 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.189 -7.373 -1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.236 -8.459 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.695 -6.785 -0.386 1.00 0.00 H new ATOM 979 N LEU A 65 -3.717 -9.781 0.443 1.00 0.00 N ATOM 980 CA LEU A 65 -3.675 -10.971 1.302 1.00 0.00 C ATOM 981 C LEU A 65 -5.011 -11.147 2.035 1.00 0.00 C ATOM 982 O LEU A 65 -5.064 -11.752 3.106 1.00 0.00 O ATOM 983 CB LEU A 65 -2.455 -10.955 2.236 1.00 0.00 C ATOM 984 CG LEU A 65 -1.091 -10.985 1.523 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.009 -10.961 2.589 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.904 -12.213 0.625 1.00 0.00 C ATOM 0 H LEU A 65 -3.597 -8.907 0.954 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.543 -11.854 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.504 -10.061 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.517 -11.813 2.906 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.039 -10.113 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.985 -10.982 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.081 -10.053 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.093 -11.832 3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.077 -12.172 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.980 -13.119 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.677 -12.223 -0.144 1.00 0.00 H new ATOM 998 N ALA A 66 -6.079 -10.568 1.482 1.00 0.00 N ATOM 999 CA ALA A 66 -7.440 -10.603 1.991 1.00 0.00 C ATOM 1000 C ALA A 66 -8.022 -12.008 1.911 1.00 0.00 C ATOM 1001 O ALA A 66 -7.518 -12.800 1.080 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.294 -9.615 1.188 1.00 0.00 C ATOM 0 H ALA A 66 -6.006 -10.033 0.617 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.437 -10.315 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.318 -9.632 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.886 -8.610 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.286 -9.899 0.136 1.00 0.00 H new TER 1008 ALA A 66