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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0896 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -0.0206 (180deg=-0.241) USER MOD Single : A 5 LYS NZ :NH3+ 149:sc= 0.993 (180deg=0.39) USER MOD Single : A 9 MET CE :methyl -144:sc= -0.234 (180deg=-1) USER MOD Single : A 10 THR OG1 : rot -39:sc= 0.107 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.145 USER MOD Single : A 12 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -140:sc= -0.275 USER MOD Single : A 16 MET CE :methyl -174:sc= 0 (180deg=-0.0456) USER MOD Single : A 19 THR OG1 : rot 70:sc= 0.614 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.123) USER MOD Single : A 23 LYS NZ :NH3+ 128:sc= 1.26 (180deg=0.00994) 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 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 1.32 (180deg=1.08) 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 X(o=0,f=-0.069) USER MOD Single : A 60 TYR OH : rot 180:sc=-0.00399 USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.421 -2.728 6.805 1.00 0.00 N ATOM 2 CA MET A 1 -9.952 -2.789 6.846 1.00 0.00 C ATOM 3 C MET A 1 -9.501 -3.761 5.763 1.00 0.00 C ATOM 4 O MET A 1 -10.173 -4.767 5.525 1.00 0.00 O ATOM 5 CB MET A 1 -9.443 -3.231 8.229 1.00 0.00 C ATOM 6 CG MET A 1 -7.969 -3.677 8.223 1.00 0.00 C ATOM 7 SD MET A 1 -7.242 -4.060 9.837 1.00 0.00 S ATOM 8 CE MET A 1 -6.707 -2.400 10.318 1.00 0.00 C ATOM 0 H1 MET A 1 -11.794 -2.679 7.775 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.719 -1.883 6.276 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.791 -3.579 6.335 1.00 0.00 H new ATOM 0 HA MET A 1 -9.535 -1.798 6.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.563 -2.407 8.933 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.062 -4.052 8.591 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.881 -4.560 7.590 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.375 -2.890 7.758 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.231 -2.441 11.298 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.996 -2.020 9.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.571 -1.738 10.362 1.00 0.00 H new ATOM 18 N LEU A 2 -8.371 -3.488 5.109 1.00 0.00 N ATOM 19 CA LEU A 2 -7.811 -4.344 4.069 1.00 0.00 C ATOM 20 C LEU A 2 -6.340 -4.541 4.348 1.00 0.00 C ATOM 21 O LEU A 2 -5.682 -3.656 4.902 1.00 0.00 O ATOM 22 CB LEU A 2 -8.009 -3.743 2.671 1.00 0.00 C ATOM 23 CG LEU A 2 -9.264 -4.303 1.995 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.638 -3.387 0.833 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.062 -5.732 1.472 1.00 0.00 C ATOM 0 H LEU A 2 -7.813 -2.654 5.291 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.332 -5.301 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.088 -2.659 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.136 -3.956 2.054 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.059 -4.342 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.531 -3.771 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.835 -2.383 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.816 -3.351 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.982 -6.081 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.255 -5.741 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.806 -6.390 2.302 1.00 0.00 H new ATOM 37 N LYS A 3 -5.836 -5.703 3.941 1.00 0.00 N ATOM 38 CA LYS A 3 -4.445 -6.097 4.116 1.00 0.00 C ATOM 39 C LYS A 3 -3.805 -6.248 2.746 1.00 0.00 C ATOM 40 O LYS A 3 -4.362 -6.908 1.865 1.00 0.00 O ATOM 41 CB LYS A 3 -4.350 -7.425 4.893 1.00 0.00 C ATOM 42 CG LYS A 3 -4.228 -7.284 6.415 1.00 0.00 C ATOM 43 CD LYS A 3 -5.418 -6.641 7.139 1.00 0.00 C ATOM 44 CE LYS A 3 -6.620 -7.565 7.272 1.00 0.00 C ATOM 45 NZ LYS A 3 -6.336 -8.726 8.141 1.00 0.00 N ATOM 0 H LYS A 3 -6.398 -6.412 3.470 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.922 -5.332 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.234 -8.022 4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.488 -7.982 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.066 -8.276 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.337 -6.695 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.101 -6.325 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.718 -5.742 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.463 -7.006 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.917 -7.917 6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.230 -9.185 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.738 -9.405 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.840 -8.406 8.997 1.00 0.00 H new ATOM 59 N LEU A 4 -2.642 -5.627 2.565 1.00 0.00 N ATOM 60 CA LEU A 4 -1.847 -5.666 1.347 1.00 0.00 C ATOM 61 C LEU A 4 -0.427 -5.969 1.748 1.00 0.00 C ATOM 62 O LEU A 4 0.019 -5.585 2.832 1.00 0.00 O ATOM 63 CB LEU A 4 -1.851 -4.324 0.603 1.00 0.00 C ATOM 64 CG LEU A 4 -3.016 -4.267 -0.399 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.708 -2.906 -0.383 1.00 0.00 C ATOM 66 CD2 LEU A 4 -2.531 -4.584 -1.812 1.00 0.00 C ATOM 0 H LEU A 4 -2.212 -5.060 3.296 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.270 -6.419 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.938 -3.506 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.905 -4.190 0.078 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.741 -5.021 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.525 -2.905 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.103 -2.710 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.990 -2.130 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.372 -4.538 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.776 -3.856 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.099 -5.584 -1.832 1.00 0.00 H new ATOM 78 N LYS A 5 0.295 -6.600 0.842 1.00 0.00 N ATOM 79 CA LYS A 5 1.673 -6.993 0.975 1.00 0.00 C ATOM 80 C LYS A 5 2.406 -6.244 -0.126 1.00 0.00 C ATOM 81 O LYS A 5 2.005 -6.333 -1.284 1.00 0.00 O ATOM 82 CB LYS A 5 1.724 -8.513 0.768 1.00 0.00 C ATOM 83 CG LYS A 5 3.055 -9.134 1.202 1.00 0.00 C ATOM 84 CD LYS A 5 3.137 -9.277 2.728 1.00 0.00 C ATOM 85 CE LYS A 5 4.448 -9.899 3.202 1.00 0.00 C ATOM 86 NZ LYS A 5 5.641 -9.082 2.906 1.00 0.00 N ATOM 0 H LYS A 5 -0.096 -6.866 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 5 2.122 -6.765 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.913 -8.978 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.552 -8.736 -0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.170 -10.113 0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.879 -8.515 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.022 -8.294 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.305 -9.890 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.392 -10.065 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.565 -10.877 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.360 -9.238 3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.028 -9.356 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.377 -8.076 2.887 1.00 0.00 H new ATOM 100 N VAL A 6 3.380 -5.421 0.233 1.00 0.00 N ATOM 101 CA VAL A 6 4.184 -4.661 -0.721 1.00 0.00 C ATOM 102 C VAL A 6 5.520 -5.380 -0.806 1.00 0.00 C ATOM 103 O VAL A 6 6.084 -5.751 0.227 1.00 0.00 O ATOM 104 CB VAL A 6 4.400 -3.205 -0.277 1.00 0.00 C ATOM 105 CG1 VAL A 6 4.945 -2.364 -1.442 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.113 -2.559 0.226 1.00 0.00 C ATOM 0 H VAL A 6 3.640 -5.258 1.206 1.00 0.00 H new ATOM 0 HA VAL A 6 3.674 -4.611 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 6 5.119 -3.232 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.092 -1.336 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.897 -2.778 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.233 -2.381 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.316 -1.532 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.369 -2.563 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.734 -3.120 1.080 1.00 0.00 H new ATOM 116 N GLU A 7 6.056 -5.498 -2.013 1.00 0.00 N ATOM 117 CA GLU A 7 7.308 -6.167 -2.266 1.00 0.00 C ATOM 118 C GLU A 7 8.122 -5.332 -3.256 1.00 0.00 C ATOM 119 O GLU A 7 7.821 -5.290 -4.452 1.00 0.00 O ATOM 120 CB GLU A 7 6.959 -7.576 -2.766 1.00 0.00 C ATOM 121 CG GLU A 7 8.112 -8.576 -2.732 1.00 0.00 C ATOM 122 CD GLU A 7 7.567 -9.955 -3.091 1.00 0.00 C ATOM 123 OE1 GLU A 7 6.961 -10.609 -2.210 1.00 0.00 O ATOM 124 OE2 GLU A 7 7.625 -10.354 -4.274 1.00 0.00 O ATOM 0 H GLU A 7 5.618 -5.122 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 7 7.934 -6.269 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.140 -7.967 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.592 -7.502 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.890 -8.281 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.568 -8.595 -1.742 1.00 0.00 H new ATOM 131 N GLY A 8 9.126 -4.606 -2.763 1.00 0.00 N ATOM 132 CA GLY A 8 9.996 -3.771 -3.590 1.00 0.00 C ATOM 133 C GLY A 8 10.445 -2.483 -2.906 1.00 0.00 C ATOM 134 O GLY A 8 11.211 -1.725 -3.499 1.00 0.00 O ATOM 0 H GLY A 8 9.360 -4.581 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.877 -4.348 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.472 -3.518 -4.512 1.00 0.00 H new ATOM 138 N MET A 9 9.895 -2.145 -1.737 1.00 0.00 N ATOM 139 CA MET A 9 10.278 -0.965 -0.977 1.00 0.00 C ATOM 140 C MET A 9 11.619 -1.322 -0.348 1.00 0.00 C ATOM 141 O MET A 9 11.714 -2.358 0.313 1.00 0.00 O ATOM 142 CB MET A 9 9.274 -0.664 0.147 1.00 0.00 C ATOM 143 CG MET A 9 7.854 -0.369 -0.334 1.00 0.00 C ATOM 144 SD MET A 9 6.698 0.088 0.993 1.00 0.00 S ATOM 145 CE MET A 9 6.839 -1.321 2.134 1.00 0.00 C ATOM 0 H MET A 9 9.161 -2.695 -1.290 1.00 0.00 H new ATOM 0 HA MET A 9 10.316 -0.086 -1.620 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.244 -1.515 0.828 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.635 0.190 0.720 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.890 0.440 -1.064 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.468 -1.247 -0.851 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.865 -1.530 2.577 1.00 0.00 H new ATOM 0 HE2 MET A 9 7.185 -2.198 1.588 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.552 -1.081 2.923 1.00 0.00 H new ATOM 155 N THR A 10 12.625 -0.461 -0.478 1.00 0.00 N ATOM 156 CA THR A 10 13.951 -0.717 0.078 1.00 0.00 C ATOM 157 C THR A 10 14.528 0.527 0.770 1.00 0.00 C ATOM 158 O THR A 10 15.730 0.591 1.020 1.00 0.00 O ATOM 159 CB THR A 10 14.809 -1.327 -1.049 1.00 0.00 C ATOM 160 OG1 THR A 10 16.023 -1.891 -0.588 1.00 0.00 O ATOM 161 CG2 THR A 10 15.086 -0.354 -2.194 1.00 0.00 C ATOM 0 H THR A 10 12.545 0.429 -0.969 1.00 0.00 H new ATOM 0 HA THR A 10 13.921 -1.442 0.891 1.00 0.00 H new ATOM 0 HB THR A 10 14.193 -2.136 -1.441 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.399 -1.325 0.118 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.694 -0.848 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.142 -0.035 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.619 0.516 -1.811 1.00 0.00 H new ATOM 169 N CYS A 11 13.711 1.550 1.051 1.00 0.00 N ATOM 170 CA CYS A 11 14.143 2.773 1.706 1.00 0.00 C ATOM 171 C CYS A 11 12.931 3.499 2.290 1.00 0.00 C ATOM 172 O CYS A 11 11.796 3.249 1.881 1.00 0.00 O ATOM 173 CB CYS A 11 14.840 3.663 0.666 1.00 0.00 C ATOM 174 SG CYS A 11 15.829 4.958 1.457 1.00 0.00 S ATOM 0 H CYS A 11 12.717 1.543 0.823 1.00 0.00 H new ATOM 0 HA CYS A 11 14.834 2.542 2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 11 15.481 3.050 0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 11 14.093 4.120 0.017 1.00 0.00 H new ATOM 0 HG CYS A 11 16.402 5.685 0.544 1.00 0.00 H new ATOM 180 N ASN A 12 13.183 4.467 3.174 1.00 0.00 N ATOM 181 CA ASN A 12 12.152 5.275 3.833 1.00 0.00 C ATOM 182 C ASN A 12 11.341 6.066 2.810 1.00 0.00 C ATOM 183 O ASN A 12 10.144 6.292 3.003 1.00 0.00 O ATOM 184 CB ASN A 12 12.774 6.250 4.851 1.00 0.00 C ATOM 185 CG ASN A 12 13.796 5.574 5.750 1.00 0.00 C ATOM 186 OD1 ASN A 12 13.468 4.662 6.501 1.00 0.00 O ATOM 187 ND2 ASN A 12 15.058 5.956 5.640 1.00 0.00 N ATOM 0 H ASN A 12 14.130 4.717 3.458 1.00 0.00 H new ATOM 0 HA ASN A 12 11.491 4.586 4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 12 13.251 7.073 4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.984 6.683 5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 12 15.782 5.489 6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.307 6.717 5.009 1.00 0.00 H new ATOM 194 N HIS A 13 11.985 6.488 1.716 1.00 0.00 N ATOM 195 CA HIS A 13 11.334 7.247 0.655 1.00 0.00 C ATOM 196 C HIS A 13 10.352 6.379 -0.141 1.00 0.00 C ATOM 197 O HIS A 13 9.405 6.894 -0.734 1.00 0.00 O ATOM 198 CB HIS A 13 12.383 7.884 -0.268 1.00 0.00 C ATOM 199 CG HIS A 13 12.076 9.335 -0.525 1.00 0.00 C ATOM 200 ND1 HIS A 13 12.256 10.352 0.384 1.00 0.00 N ATOM 201 CD2 HIS A 13 11.525 9.877 -1.655 1.00 0.00 C ATOM 202 CE1 HIS A 13 11.820 11.488 -0.178 1.00 0.00 C ATOM 203 NE2 HIS A 13 11.396 11.255 -1.436 1.00 0.00 N ATOM 0 H HIS A 13 12.975 6.310 1.546 1.00 0.00 H new ATOM 0 HA HIS A 13 10.754 8.044 1.120 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.371 7.794 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.414 7.344 -1.214 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.242 9.342 -2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.810 12.452 0.308 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.049 11.947 -2.100 1.00 0.00 H new ATOM 211 N CYS A 14 10.571 5.063 -0.169 1.00 0.00 N ATOM 212 CA CYS A 14 9.716 4.124 -0.875 1.00 0.00 C ATOM 213 C CYS A 14 8.398 4.000 -0.119 1.00 0.00 C ATOM 214 O CYS A 14 7.333 4.082 -0.720 1.00 0.00 O ATOM 215 CB CYS A 14 10.396 2.753 -0.961 1.00 0.00 C ATOM 216 SG CYS A 14 12.122 2.923 -1.492 1.00 0.00 S ATOM 0 H CYS A 14 11.358 4.620 0.305 1.00 0.00 H new ATOM 0 HA CYS A 14 9.533 4.484 -1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.356 2.261 0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.856 2.117 -1.663 1.00 0.00 H new ATOM 0 HG CYS A 14 12.417 1.966 -2.321 1.00 0.00 H new ATOM 222 N VAL A 15 8.483 3.828 1.204 1.00 0.00 N ATOM 223 CA VAL A 15 7.328 3.684 2.073 1.00 0.00 C ATOM 224 C VAL A 15 6.397 4.881 1.888 1.00 0.00 C ATOM 225 O VAL A 15 5.244 4.685 1.521 1.00 0.00 O ATOM 226 CB VAL A 15 7.778 3.487 3.535 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.581 3.176 4.440 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.778 2.329 3.684 1.00 0.00 C ATOM 0 H VAL A 15 9.373 3.785 1.701 1.00 0.00 H new ATOM 0 HA VAL A 15 6.764 2.792 1.803 1.00 0.00 H new ATOM 0 HB VAL A 15 8.255 4.422 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.925 3.041 5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.871 4.002 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.094 2.263 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.066 2.229 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.315 1.402 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.664 2.533 3.082 1.00 0.00 H new ATOM 238 N MET A 16 6.893 6.110 2.076 1.00 0.00 N ATOM 239 CA MET A 16 6.061 7.302 1.927 1.00 0.00 C ATOM 240 C MET A 16 5.437 7.425 0.534 1.00 0.00 C ATOM 241 O MET A 16 4.308 7.906 0.434 1.00 0.00 O ATOM 242 CB MET A 16 6.808 8.559 2.384 1.00 0.00 C ATOM 243 CG MET A 16 8.086 8.857 1.595 1.00 0.00 C ATOM 244 SD MET A 16 9.220 10.012 2.414 1.00 0.00 S ATOM 245 CE MET A 16 8.158 11.473 2.525 1.00 0.00 C ATOM 0 H MET A 16 7.862 6.301 2.330 1.00 0.00 H new ATOM 0 HA MET A 16 5.208 7.190 2.596 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.138 9.415 2.303 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.063 8.452 3.438 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.612 7.920 1.411 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.811 9.265 0.622 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.735 12.314 2.909 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.773 11.719 1.535 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.325 11.267 3.198 1.00 0.00 H new ATOM 255 N ALA A 17 6.126 6.992 -0.530 1.00 0.00 N ATOM 256 CA ALA A 17 5.567 7.051 -1.877 1.00 0.00 C ATOM 257 C ALA A 17 4.339 6.135 -1.908 1.00 0.00 C ATOM 258 O ALA A 17 3.248 6.558 -2.288 1.00 0.00 O ATOM 259 CB ALA A 17 6.609 6.627 -2.916 1.00 0.00 C ATOM 0 H ALA A 17 7.066 6.600 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 17 5.275 8.071 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.171 6.678 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.469 7.295 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.930 5.605 -2.713 1.00 0.00 H new ATOM 265 N VAL A 18 4.507 4.889 -1.454 1.00 0.00 N ATOM 266 CA VAL A 18 3.455 3.881 -1.392 1.00 0.00 C ATOM 267 C VAL A 18 2.297 4.403 -0.521 1.00 0.00 C ATOM 268 O VAL A 18 1.134 4.232 -0.891 1.00 0.00 O ATOM 269 CB VAL A 18 4.079 2.540 -0.942 1.00 0.00 C ATOM 270 CG1 VAL A 18 3.032 1.460 -0.648 1.00 0.00 C ATOM 271 CG2 VAL A 18 5.032 2.010 -2.031 1.00 0.00 C ATOM 0 H VAL A 18 5.405 4.549 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 18 3.008 3.686 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 18 4.617 2.748 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.533 0.543 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.371 1.801 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.446 1.267 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.467 1.065 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.477 1.854 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.827 2.735 -2.203 1.00 0.00 H new ATOM 281 N THR A 19 2.577 5.103 0.583 1.00 0.00 N ATOM 282 CA THR A 19 1.565 5.671 1.468 1.00 0.00 C ATOM 283 C THR A 19 0.648 6.607 0.658 1.00 0.00 C ATOM 284 O THR A 19 -0.579 6.499 0.729 1.00 0.00 O ATOM 285 CB THR A 19 2.269 6.390 2.637 1.00 0.00 C ATOM 286 OG1 THR A 19 3.103 5.497 3.346 1.00 0.00 O ATOM 287 CG2 THR A 19 1.302 6.992 3.651 1.00 0.00 C ATOM 0 H THR A 19 3.532 5.292 0.889 1.00 0.00 H new ATOM 0 HA THR A 19 0.934 4.891 1.894 1.00 0.00 H new ATOM 0 HB THR A 19 2.840 7.193 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.877 5.263 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.866 7.482 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.664 7.723 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.685 6.202 4.078 1.00 0.00 H new ATOM 295 N LYS A 20 1.208 7.544 -0.121 1.00 0.00 N ATOM 296 CA LYS A 20 0.388 8.464 -0.921 1.00 0.00 C ATOM 297 C LYS A 20 -0.301 7.741 -2.069 1.00 0.00 C ATOM 298 O LYS A 20 -1.469 8.021 -2.336 1.00 0.00 O ATOM 299 CB LYS A 20 1.207 9.643 -1.457 1.00 0.00 C ATOM 300 CG LYS A 20 1.969 10.424 -0.381 1.00 0.00 C ATOM 301 CD LYS A 20 1.124 10.930 0.805 1.00 0.00 C ATOM 302 CE LYS A 20 2.031 11.347 1.971 1.00 0.00 C ATOM 303 NZ LYS A 20 3.036 12.342 1.561 1.00 0.00 N ATOM 0 H LYS A 20 2.214 7.684 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.376 8.860 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.920 9.270 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.538 10.327 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.764 9.788 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.449 11.281 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.514 11.777 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.439 10.148 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.421 11.758 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.535 10.467 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.525 12.708 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.728 11.895 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.566 13.126 1.065 1.00 0.00 H new ATOM 317 N ALA A 21 0.385 6.783 -2.688 1.00 0.00 N ATOM 318 CA ALA A 21 -0.124 5.992 -3.786 1.00 0.00 C ATOM 319 C ALA A 21 -1.410 5.318 -3.344 1.00 0.00 C ATOM 320 O ALA A 21 -2.386 5.323 -4.070 1.00 0.00 O ATOM 321 CB ALA A 21 0.923 4.968 -4.226 1.00 0.00 C ATOM 0 H ALA A 21 1.339 6.535 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.337 6.629 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.529 4.378 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.826 5.486 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.161 4.309 -3.391 1.00 0.00 H new ATOM 327 N LEU A 22 -1.460 4.767 -2.138 1.00 0.00 N ATOM 328 CA LEU A 22 -2.672 4.122 -1.663 1.00 0.00 C ATOM 329 C LEU A 22 -3.702 5.193 -1.290 1.00 0.00 C ATOM 330 O LEU A 22 -4.871 5.064 -1.638 1.00 0.00 O ATOM 331 CB LEU A 22 -2.283 3.178 -0.522 1.00 0.00 C ATOM 332 CG LEU A 22 -1.632 1.906 -1.120 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.586 1.271 -0.204 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.690 0.850 -1.436 1.00 0.00 C ATOM 0 H LEU A 22 -0.682 4.755 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.153 3.513 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.588 3.673 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.163 2.911 0.063 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.132 2.239 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.171 0.385 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.213 1.988 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.053 0.987 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.208 -0.034 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.216 0.577 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.401 1.252 -2.158 1.00 0.00 H new ATOM 346 N LYS A 23 -3.303 6.293 -0.643 1.00 0.00 N ATOM 347 CA LYS A 23 -4.232 7.363 -0.248 1.00 0.00 C ATOM 348 C LYS A 23 -4.897 8.110 -1.412 1.00 0.00 C ATOM 349 O LYS A 23 -5.901 8.786 -1.183 1.00 0.00 O ATOM 350 CB LYS A 23 -3.539 8.335 0.717 1.00 0.00 C ATOM 351 CG LYS A 23 -3.350 7.713 2.111 1.00 0.00 C ATOM 352 CD LYS A 23 -2.567 8.658 3.038 1.00 0.00 C ATOM 353 CE LYS A 23 -3.221 8.766 4.420 1.00 0.00 C ATOM 354 NZ LYS A 23 -4.469 9.547 4.379 1.00 0.00 N ATOM 0 H LYS A 23 -2.334 6.469 -0.379 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.058 6.864 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.569 8.621 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.130 9.247 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.323 7.493 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.819 6.765 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.544 8.297 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.509 9.647 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.431 7.767 4.801 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.524 9.233 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.235 9.002 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.336 10.441 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.719 9.751 3.390 1.00 0.00 H new ATOM 368 N LYS A 24 -4.402 8.024 -2.651 1.00 0.00 N ATOM 369 CA LYS A 24 -5.043 8.704 -3.789 1.00 0.00 C ATOM 370 C LYS A 24 -6.298 7.949 -4.244 1.00 0.00 C ATOM 371 O LYS A 24 -7.085 8.466 -5.043 1.00 0.00 O ATOM 372 CB LYS A 24 -4.045 8.852 -4.950 1.00 0.00 C ATOM 373 CG LYS A 24 -3.837 7.551 -5.740 1.00 0.00 C ATOM 374 CD LYS A 24 -2.516 7.488 -6.510 1.00 0.00 C ATOM 375 CE LYS A 24 -2.573 8.276 -7.820 1.00 0.00 C ATOM 376 NZ LYS A 24 -2.848 7.398 -8.977 1.00 0.00 N ATOM 0 H LYS A 24 -3.565 7.494 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.351 9.698 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.399 9.628 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.086 9.187 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.882 6.709 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.661 7.431 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.714 7.882 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.271 6.448 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.347 9.040 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.627 8.794 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.879 7.968 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.096 6.684 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.763 6.923 -8.842 1.00 0.00 H new ATOM 390 N VAL A 25 -6.479 6.711 -3.791 1.00 0.00 N ATOM 391 CA VAL A 25 -7.604 5.862 -4.140 1.00 0.00 C ATOM 392 C VAL A 25 -8.891 6.380 -3.494 1.00 0.00 C ATOM 393 O VAL A 25 -8.900 6.626 -2.284 1.00 0.00 O ATOM 394 CB VAL A 25 -7.272 4.411 -3.746 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.442 3.442 -3.951 1.00 0.00 C ATOM 396 CG2 VAL A 25 -6.061 3.904 -4.540 1.00 0.00 C ATOM 0 H VAL A 25 -5.824 6.261 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.779 5.884 -5.216 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.049 4.435 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.139 2.438 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.289 3.760 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.731 3.438 -5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.840 2.877 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.284 3.939 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.198 4.535 -4.329 1.00 0.00 H new ATOM 406 N PRO A 26 -9.981 6.534 -4.274 1.00 0.00 N ATOM 407 CA PRO A 26 -11.253 6.991 -3.755 1.00 0.00 C ATOM 408 C PRO A 26 -11.749 5.890 -2.823 1.00 0.00 C ATOM 409 O PRO A 26 -12.023 4.760 -3.243 1.00 0.00 O ATOM 410 CB PRO A 26 -12.161 7.240 -4.961 1.00 0.00 C ATOM 411 CG PRO A 26 -11.590 6.324 -6.036 1.00 0.00 C ATOM 412 CD PRO A 26 -10.101 6.279 -5.703 1.00 0.00 C ATOM 0 HA PRO A 26 -11.210 7.920 -3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.200 6.997 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.138 8.285 -5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.040 5.332 -6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.767 6.719 -7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.677 5.308 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.554 7.027 -6.276 1.00 0.00 H new ATOM 420 N GLY A 27 -11.765 6.216 -1.541 1.00 0.00 N ATOM 421 CA GLY A 27 -12.186 5.355 -0.453 1.00 0.00 C ATOM 422 C GLY A 27 -11.107 5.195 0.608 1.00 0.00 C ATOM 423 O GLY A 27 -11.363 4.513 1.592 1.00 0.00 O ATOM 0 H GLY A 27 -11.469 7.137 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.085 5.766 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.450 4.375 -0.850 1.00 0.00 H new ATOM 427 N VAL A 28 -9.899 5.750 0.441 1.00 0.00 N ATOM 428 CA VAL A 28 -8.846 5.627 1.449 1.00 0.00 C ATOM 429 C VAL A 28 -8.858 6.867 2.336 1.00 0.00 C ATOM 430 O VAL A 28 -8.931 7.996 1.843 1.00 0.00 O ATOM 431 CB VAL A 28 -7.483 5.360 0.801 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.391 5.198 1.870 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.571 4.052 0.017 1.00 0.00 C ATOM 0 H VAL A 28 -9.630 6.287 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.039 4.762 2.083 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.231 6.201 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.433 5.009 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.324 6.110 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.640 4.360 2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.610 3.844 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.828 3.238 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.339 4.140 -0.752 1.00 0.00 H new ATOM 443 N GLU A 29 -8.681 6.640 3.640 1.00 0.00 N ATOM 444 CA GLU A 29 -8.685 7.658 4.688 1.00 0.00 C ATOM 445 C GLU A 29 -7.391 7.618 5.515 1.00 0.00 C ATOM 446 O GLU A 29 -6.716 8.637 5.685 1.00 0.00 O ATOM 447 CB GLU A 29 -9.926 7.414 5.558 1.00 0.00 C ATOM 448 CG GLU A 29 -11.218 7.427 4.723 1.00 0.00 C ATOM 449 CD GLU A 29 -12.447 7.176 5.581 1.00 0.00 C ATOM 450 OE1 GLU A 29 -12.728 5.994 5.878 1.00 0.00 O ATOM 451 OE2 GLU A 29 -13.158 8.147 5.923 1.00 0.00 O ATOM 0 H GLU A 29 -8.525 5.701 4.007 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.726 8.655 4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.831 6.455 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.985 8.180 6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.316 8.389 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.156 6.666 3.945 1.00 0.00 H new ATOM 458 N LYS A 30 -7.010 6.447 6.032 1.00 0.00 N ATOM 459 CA LYS A 30 -5.797 6.250 6.824 1.00 0.00 C ATOM 460 C LYS A 30 -5.208 4.919 6.365 1.00 0.00 C ATOM 461 O LYS A 30 -5.938 4.069 5.836 1.00 0.00 O ATOM 462 CB LYS A 30 -6.107 6.356 8.330 1.00 0.00 C ATOM 463 CG LYS A 30 -4.850 6.560 9.197 1.00 0.00 C ATOM 464 CD LYS A 30 -5.207 6.860 10.664 1.00 0.00 C ATOM 465 CE LYS A 30 -4.128 6.467 11.688 1.00 0.00 C ATOM 466 NZ LYS A 30 -2.795 7.053 11.439 1.00 0.00 N ATOM 0 H LYS A 30 -7.550 5.591 5.908 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.048 7.026 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.793 7.187 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.620 5.450 8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.228 5.666 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.259 7.381 8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.409 7.927 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.130 6.336 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.462 6.768 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.036 5.381 11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.133 6.735 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.450 6.746 10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.863 8.091 11.459 1.00 0.00 H new ATOM 480 N VAL A 31 -3.895 4.769 6.508 1.00 0.00 N ATOM 481 CA VAL A 31 -3.150 3.591 6.086 1.00 0.00 C ATOM 482 C VAL A 31 -1.962 3.337 7.020 1.00 0.00 C ATOM 483 O VAL A 31 -1.543 4.246 7.748 1.00 0.00 O ATOM 484 CB VAL A 31 -2.645 3.846 4.645 1.00 0.00 C ATOM 485 CG1 VAL A 31 -3.762 3.819 3.594 1.00 0.00 C ATOM 486 CG2 VAL A 31 -1.883 5.176 4.492 1.00 0.00 C ATOM 0 H VAL A 31 -3.305 5.484 6.933 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.792 2.711 6.120 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.962 3.015 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.338 4.005 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.246 2.843 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.497 4.590 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.557 5.292 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.539 6.004 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.013 5.174 5.149 1.00 0.00 H new ATOM 496 N GLU A 32 -1.347 2.155 6.946 1.00 0.00 N ATOM 497 CA GLU A 32 -0.200 1.771 7.763 1.00 0.00 C ATOM 498 C GLU A 32 0.784 0.936 6.928 1.00 0.00 C ATOM 499 O GLU A 32 0.611 -0.277 6.792 1.00 0.00 O ATOM 500 CB GLU A 32 -0.703 1.006 8.998 1.00 0.00 C ATOM 501 CG GLU A 32 0.379 0.819 10.053 1.00 0.00 C ATOM 502 CD GLU A 32 0.465 2.025 10.969 1.00 0.00 C ATOM 503 OE1 GLU A 32 0.934 3.091 10.516 1.00 0.00 O ATOM 504 OE2 GLU A 32 0.084 1.896 12.152 1.00 0.00 O ATOM 0 H GLU A 32 -1.642 1.423 6.300 1.00 0.00 H new ATOM 0 HA GLU A 32 0.338 2.656 8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.543 1.544 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.076 0.030 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.167 -0.074 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.341 0.659 9.567 1.00 0.00 H new ATOM 511 N VAL A 33 1.795 1.576 6.334 1.00 0.00 N ATOM 512 CA VAL A 33 2.822 0.930 5.514 1.00 0.00 C ATOM 513 C VAL A 33 4.065 0.702 6.378 1.00 0.00 C ATOM 514 O VAL A 33 4.501 1.619 7.090 1.00 0.00 O ATOM 515 CB VAL A 33 3.153 1.764 4.256 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.909 0.916 3.222 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.904 2.317 3.568 1.00 0.00 C ATOM 0 H VAL A 33 1.925 2.585 6.413 1.00 0.00 H new ATOM 0 HA VAL A 33 2.447 -0.029 5.156 1.00 0.00 H new ATOM 0 HB VAL A 33 3.766 2.594 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.131 1.524 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.840 0.555 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.293 0.066 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.197 2.894 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.262 1.491 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.362 2.960 4.261 1.00 0.00 H new ATOM 527 N SER A 34 4.653 -0.492 6.315 1.00 0.00 N ATOM 528 CA SER A 34 5.834 -0.861 7.082 1.00 0.00 C ATOM 529 C SER A 34 6.864 -1.507 6.168 1.00 0.00 C ATOM 530 O SER A 34 6.522 -2.347 5.333 1.00 0.00 O ATOM 531 CB SER A 34 5.409 -1.813 8.201 1.00 0.00 C ATOM 532 OG SER A 34 6.499 -2.245 8.996 1.00 0.00 O ATOM 0 H SER A 34 4.312 -1.243 5.715 1.00 0.00 H new ATOM 0 HA SER A 34 6.293 0.024 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.676 -1.316 8.836 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.916 -2.682 7.765 1.00 0.00 H new ATOM 0 HG SER A 34 6.189 -2.421 9.909 1.00 0.00 H new ATOM 538 N LEU A 35 8.121 -1.082 6.317 1.00 0.00 N ATOM 539 CA LEU A 35 9.242 -1.601 5.549 1.00 0.00 C ATOM 540 C LEU A 35 9.625 -2.961 6.124 1.00 0.00 C ATOM 541 O LEU A 35 9.845 -3.898 5.365 1.00 0.00 O ATOM 542 CB LEU A 35 10.419 -0.616 5.626 1.00 0.00 C ATOM 543 CG LEU A 35 11.597 -0.944 4.692 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.214 -0.907 3.209 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.691 0.105 4.908 1.00 0.00 C ATOM 0 H LEU A 35 8.386 -0.358 6.985 1.00 0.00 H new ATOM 0 HA LEU A 35 8.971 -1.718 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.054 0.384 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.784 -0.588 6.653 1.00 0.00 H new ATOM 0 HG LEU A 35 11.927 -1.955 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.087 -1.147 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.427 -1.637 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.855 0.089 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.536 -0.110 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.297 1.095 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.020 0.079 5.947 1.00 0.00 H new ATOM 557 N GLU A 36 9.643 -3.079 7.458 1.00 0.00 N ATOM 558 CA GLU A 36 9.982 -4.310 8.159 1.00 0.00 C ATOM 559 C GLU A 36 9.044 -5.436 7.730 1.00 0.00 C ATOM 560 O GLU A 36 9.516 -6.501 7.327 1.00 0.00 O ATOM 561 CB GLU A 36 9.969 -4.094 9.686 1.00 0.00 C ATOM 562 CG GLU A 36 10.115 -5.420 10.454 1.00 0.00 C ATOM 563 CD GLU A 36 10.556 -5.238 11.909 1.00 0.00 C ATOM 564 OE1 GLU A 36 11.770 -5.021 12.141 1.00 0.00 O ATOM 565 OE2 GLU A 36 9.713 -5.356 12.827 1.00 0.00 O ATOM 0 H GLU A 36 9.418 -2.306 8.084 1.00 0.00 H new ATOM 0 HA GLU A 36 10.996 -4.604 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.781 -3.422 9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.038 -3.607 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.162 -5.948 10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.840 -6.051 9.939 1.00 0.00 H new ATOM 572 N LYS A 37 7.731 -5.214 7.813 1.00 0.00 N ATOM 573 CA LYS A 37 6.752 -6.229 7.437 1.00 0.00 C ATOM 574 C LYS A 37 6.489 -6.291 5.931 1.00 0.00 C ATOM 575 O LYS A 37 5.927 -7.295 5.485 1.00 0.00 O ATOM 576 CB LYS A 37 5.441 -5.978 8.199 1.00 0.00 C ATOM 577 CG LYS A 37 5.515 -6.363 9.687 1.00 0.00 C ATOM 578 CD LYS A 37 5.599 -5.172 10.656 1.00 0.00 C ATOM 579 CE LYS A 37 4.355 -4.269 10.691 1.00 0.00 C ATOM 580 NZ LYS A 37 3.103 -5.008 10.963 1.00 0.00 N ATOM 0 H LYS A 37 7.323 -4.338 8.138 1.00 0.00 H new ATOM 0 HA LYS A 37 7.171 -7.197 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.178 -4.923 8.117 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.640 -6.544 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.636 -6.957 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.386 -7.001 9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.780 -5.554 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.462 -4.564 10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.491 -3.505 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.263 -3.752 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.341 -4.333 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.844 -5.572 10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.243 -5.639 11.778 1.00 0.00 H new ATOM 594 N GLY A 38 6.893 -5.285 5.146 1.00 0.00 N ATOM 595 CA GLY A 38 6.660 -5.243 3.707 1.00 0.00 C ATOM 596 C GLY A 38 5.158 -5.401 3.483 1.00 0.00 C ATOM 597 O GLY A 38 4.715 -6.348 2.831 1.00 0.00 O ATOM 0 H GLY A 38 7.396 -4.471 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.013 -4.301 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.209 -6.040 3.206 1.00 0.00 H new ATOM 601 N GLU A 39 4.354 -4.540 4.109 1.00 0.00 N ATOM 602 CA GLU A 39 2.902 -4.588 4.010 1.00 0.00 C ATOM 603 C GLU A 39 2.310 -3.178 4.092 1.00 0.00 C ATOM 604 O GLU A 39 3.038 -2.234 4.417 1.00 0.00 O ATOM 605 CB GLU A 39 2.364 -5.553 5.085 1.00 0.00 C ATOM 606 CG GLU A 39 2.237 -4.922 6.476 1.00 0.00 C ATOM 607 CD GLU A 39 1.623 -5.890 7.489 1.00 0.00 C ATOM 608 OE1 GLU A 39 0.587 -6.510 7.149 1.00 0.00 O ATOM 609 OE2 GLU A 39 2.166 -5.986 8.612 1.00 0.00 O ATOM 0 H GLU A 39 4.699 -3.786 4.702 1.00 0.00 H new ATOM 0 HA GLU A 39 2.592 -4.976 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.387 -5.921 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.025 -6.417 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.222 -4.609 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.621 -4.025 6.413 1.00 0.00 H new ATOM 616 N ALA A 40 1.006 -3.046 3.811 1.00 0.00 N ATOM 617 CA ALA A 40 0.281 -1.784 3.819 1.00 0.00 C ATOM 618 C ALA A 40 -1.197 -1.934 4.214 1.00 0.00 C ATOM 619 O ALA A 40 -2.041 -2.228 3.371 1.00 0.00 O ATOM 620 CB ALA A 40 0.393 -1.172 2.425 1.00 0.00 C ATOM 0 H ALA A 40 0.417 -3.842 3.566 1.00 0.00 H new ATOM 0 HA ALA A 40 0.727 -1.139 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.142 -0.223 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.443 -1.003 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.042 -1.853 1.693 1.00 0.00 H new ATOM 626 N LEU A 41 -1.539 -1.735 5.484 1.00 0.00 N ATOM 627 CA LEU A 41 -2.925 -1.838 5.963 1.00 0.00 C ATOM 628 C LEU A 41 -3.708 -0.616 5.480 1.00 0.00 C ATOM 629 O LEU A 41 -3.123 0.460 5.306 1.00 0.00 O ATOM 630 CB LEU A 41 -3.028 -1.852 7.500 1.00 0.00 C ATOM 631 CG LEU A 41 -2.486 -3.055 8.294 1.00 0.00 C ATOM 632 CD1 LEU A 41 -3.435 -4.236 8.136 1.00 0.00 C ATOM 633 CD2 LEU A 41 -1.065 -3.496 7.930 1.00 0.00 C ATOM 0 H LEU A 41 -0.868 -1.498 6.214 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.322 -2.776 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.516 -0.963 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.082 -1.742 7.756 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.429 -2.715 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.052 -5.088 8.698 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.420 -3.964 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.513 -4.502 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.780 -4.349 8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.030 -3.780 6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.372 -2.673 8.106 1.00 0.00 H new ATOM 645 N VAL A 42 -5.022 -0.751 5.310 1.00 0.00 N ATOM 646 CA VAL A 42 -5.928 0.306 4.873 1.00 0.00 C ATOM 647 C VAL A 42 -7.101 0.367 5.853 1.00 0.00 C ATOM 648 O VAL A 42 -7.700 -0.664 6.173 1.00 0.00 O ATOM 649 CB VAL A 42 -6.416 0.004 3.445 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.373 1.087 2.918 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.264 -0.156 2.445 1.00 0.00 C ATOM 0 H VAL A 42 -5.502 -1.635 5.480 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.421 1.271 4.860 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.947 -0.944 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.691 0.831 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.246 1.149 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.861 2.049 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.668 -0.368 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.682 0.765 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.622 -0.979 2.758 1.00 0.00 H new ATOM 661 N GLU A 43 -7.484 1.584 6.247 1.00 0.00 N ATOM 662 CA GLU A 43 -8.574 1.858 7.177 1.00 0.00 C ATOM 663 C GLU A 43 -9.839 2.359 6.475 1.00 0.00 C ATOM 664 O GLU A 43 -10.923 2.337 7.055 1.00 0.00 O ATOM 665 CB GLU A 43 -8.068 2.929 8.142 1.00 0.00 C ATOM 666 CG GLU A 43 -8.856 2.985 9.450 1.00 0.00 C ATOM 667 CD GLU A 43 -8.099 3.860 10.444 1.00 0.00 C ATOM 668 OE1 GLU A 43 -6.998 3.431 10.870 1.00 0.00 O ATOM 669 OE2 GLU A 43 -8.539 4.998 10.729 1.00 0.00 O ATOM 0 H GLU A 43 -7.026 2.432 5.914 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.851 0.935 7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.018 2.740 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.119 3.902 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.852 3.390 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.987 1.981 9.855 1.00 0.00 H new ATOM 676 N GLY A 44 -9.709 2.855 5.243 1.00 0.00 N ATOM 677 CA GLY A 44 -10.836 3.359 4.469 1.00 0.00 C ATOM 678 C GLY A 44 -11.692 2.207 3.935 1.00 0.00 C ATOM 679 O GLY A 44 -11.471 1.051 4.302 1.00 0.00 O ATOM 0 H GLY A 44 -8.815 2.917 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.447 4.013 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.471 3.961 3.637 1.00 0.00 H new ATOM 683 N THR A 45 -12.665 2.494 3.078 1.00 0.00 N ATOM 684 CA THR A 45 -13.575 1.509 2.492 1.00 0.00 C ATOM 685 C THR A 45 -13.218 1.175 1.034 1.00 0.00 C ATOM 686 O THR A 45 -13.979 0.484 0.361 1.00 0.00 O ATOM 687 CB THR A 45 -15.025 2.001 2.650 1.00 0.00 C ATOM 688 OG1 THR A 45 -15.179 3.303 2.110 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.490 2.007 4.112 1.00 0.00 C ATOM 0 H THR A 45 -12.850 3.445 2.761 1.00 0.00 H new ATOM 0 HA THR A 45 -13.468 0.568 3.032 1.00 0.00 H new ATOM 0 HB THR A 45 -15.647 1.295 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.108 3.595 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.519 2.363 4.165 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.434 0.996 4.516 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.848 2.667 4.695 1.00 0.00 H new ATOM 697 N ALA A 46 -12.067 1.648 0.536 1.00 0.00 N ATOM 698 CA ALA A 46 -11.619 1.400 -0.830 1.00 0.00 C ATOM 699 C ALA A 46 -11.536 -0.100 -1.155 1.00 0.00 C ATOM 700 O ALA A 46 -11.317 -0.918 -0.258 1.00 0.00 O ATOM 701 CB ALA A 46 -10.244 2.036 -1.043 1.00 0.00 C ATOM 0 H ALA A 46 -11.419 2.218 1.080 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.356 1.845 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.911 1.850 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.310 3.111 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.530 1.601 -0.344 1.00 0.00 H new ATOM 707 N ASP A 47 -11.645 -0.447 -2.443 1.00 0.00 N ATOM 708 CA ASP A 47 -11.578 -1.837 -2.900 1.00 0.00 C ATOM 709 C ASP A 47 -10.122 -2.274 -3.034 1.00 0.00 C ATOM 710 O ASP A 47 -9.276 -1.458 -3.422 1.00 0.00 O ATOM 711 CB ASP A 47 -12.237 -2.029 -4.277 1.00 0.00 C ATOM 712 CG ASP A 47 -13.351 -3.074 -4.195 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.356 -2.807 -3.506 1.00 0.00 O ATOM 714 OD2 ASP A 47 -13.192 -4.183 -4.752 1.00 0.00 O ATOM 0 H ASP A 47 -11.782 0.228 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.109 -2.432 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.645 -1.081 -4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.489 -2.343 -5.005 1.00 0.00 H new ATOM 719 N PRO A 48 -9.817 -3.569 -2.863 1.00 0.00 N ATOM 720 CA PRO A 48 -8.451 -4.058 -2.960 1.00 0.00 C ATOM 721 C PRO A 48 -7.804 -3.890 -4.332 1.00 0.00 C ATOM 722 O PRO A 48 -6.634 -3.523 -4.412 1.00 0.00 O ATOM 723 CB PRO A 48 -8.520 -5.523 -2.557 1.00 0.00 C ATOM 724 CG PRO A 48 -9.977 -5.929 -2.725 1.00 0.00 C ATOM 725 CD PRO A 48 -10.712 -4.635 -2.425 1.00 0.00 C ATOM 0 HA PRO A 48 -7.808 -3.465 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.869 -6.132 -3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.191 -5.661 -1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.185 -6.290 -3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.259 -6.726 -2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.663 -4.592 -2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.936 -4.548 -1.362 1.00 0.00 H new ATOM 733 N LYS A 49 -8.557 -4.126 -5.404 1.00 0.00 N ATOM 734 CA LYS A 49 -8.063 -4.014 -6.775 1.00 0.00 C ATOM 735 C LYS A 49 -7.558 -2.599 -7.036 1.00 0.00 C ATOM 736 O LYS A 49 -6.483 -2.408 -7.599 1.00 0.00 O ATOM 737 CB LYS A 49 -9.121 -4.431 -7.819 1.00 0.00 C ATOM 738 CG LYS A 49 -9.882 -5.718 -7.462 1.00 0.00 C ATOM 739 CD LYS A 49 -11.120 -5.427 -6.595 1.00 0.00 C ATOM 740 CE LYS A 49 -12.392 -5.310 -7.430 1.00 0.00 C ATOM 741 NZ LYS A 49 -12.965 -6.627 -7.740 1.00 0.00 N ATOM 0 H LYS A 49 -9.537 -4.403 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.232 -4.711 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.838 -3.619 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.631 -4.567 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.190 -6.224 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.217 -6.398 -6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.242 -6.222 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.964 -4.501 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.127 -4.712 -6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.170 -4.783 -8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.827 -6.505 -8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.273 -7.189 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.200 -7.120 -6.855 1.00 0.00 H new ATOM 755 N ALA A 50 -8.330 -1.596 -6.616 1.00 0.00 N ATOM 756 CA ALA A 50 -7.961 -0.204 -6.802 1.00 0.00 C ATOM 757 C ALA A 50 -6.734 0.169 -5.960 1.00 0.00 C ATOM 758 O ALA A 50 -5.963 1.046 -6.343 1.00 0.00 O ATOM 759 CB ALA A 50 -9.156 0.671 -6.423 1.00 0.00 C ATOM 0 H ALA A 50 -9.222 -1.731 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.694 -0.042 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.895 1.721 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.005 0.424 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.421 0.493 -5.381 1.00 0.00 H new ATOM 765 N LEU A 51 -6.584 -0.462 -4.792 1.00 0.00 N ATOM 766 CA LEU A 51 -5.483 -0.227 -3.869 1.00 0.00 C ATOM 767 C LEU A 51 -4.181 -0.758 -4.464 1.00 0.00 C ATOM 768 O LEU A 51 -3.236 0.013 -4.609 1.00 0.00 O ATOM 769 CB LEU A 51 -5.777 -0.862 -2.502 1.00 0.00 C ATOM 770 CG LEU A 51 -6.811 -0.100 -1.656 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.465 -1.035 -0.633 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.156 1.055 -0.899 1.00 0.00 C ATOM 0 H LEU A 51 -7.243 -1.166 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.373 0.846 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.132 -1.881 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.846 -0.932 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.564 0.291 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.193 -0.478 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.967 -1.850 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.700 -1.443 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.909 1.577 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.383 0.664 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.708 1.749 -1.610 1.00 0.00 H new ATOM 784 N VAL A 52 -4.119 -2.052 -4.801 1.00 0.00 N ATOM 785 CA VAL A 52 -2.928 -2.667 -5.374 1.00 0.00 C ATOM 786 C VAL A 52 -2.518 -1.944 -6.663 1.00 0.00 C ATOM 787 O VAL A 52 -1.330 -1.671 -6.835 1.00 0.00 O ATOM 788 CB VAL A 52 -3.141 -4.191 -5.525 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.079 -4.612 -6.647 1.00 0.00 C ATOM 790 CG2 VAL A 52 -1.825 -4.947 -5.684 1.00 0.00 C ATOM 0 H VAL A 52 -4.898 -2.699 -4.681 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.079 -2.553 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.625 -4.461 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.159 -5.699 -6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.065 -4.179 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.686 -4.260 -7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.028 -6.013 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.305 -4.590 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.201 -4.779 -4.806 1.00 0.00 H new ATOM 800 N GLN A 53 -3.488 -1.559 -7.508 1.00 0.00 N ATOM 801 CA GLN A 53 -3.243 -0.860 -8.764 1.00 0.00 C ATOM 802 C GLN A 53 -2.391 0.379 -8.517 1.00 0.00 C ATOM 803 O GLN A 53 -1.356 0.547 -9.148 1.00 0.00 O ATOM 804 CB GLN A 53 -4.575 -0.451 -9.425 1.00 0.00 C ATOM 805 CG GLN A 53 -4.383 0.134 -10.839 1.00 0.00 C ATOM 806 CD GLN A 53 -5.682 0.694 -11.423 1.00 0.00 C ATOM 807 OE1 GLN A 53 -6.755 0.107 -11.287 1.00 0.00 O ATOM 808 NE2 GLN A 53 -5.636 1.825 -12.112 1.00 0.00 N ATOM 0 H GLN A 53 -4.477 -1.731 -7.328 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.711 -1.535 -9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.230 -1.321 -9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.077 0.285 -8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.634 0.925 -10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.996 -0.641 -11.500 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.749 2.316 -12.228 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.487 2.205 -12.526 1.00 0.00 H new ATOM 817 N ALA A 54 -2.790 1.236 -7.578 1.00 0.00 N ATOM 818 CA ALA A 54 -2.051 2.456 -7.304 1.00 0.00 C ATOM 819 C ALA A 54 -0.588 2.227 -6.898 1.00 0.00 C ATOM 820 O ALA A 54 0.242 3.107 -7.125 1.00 0.00 O ATOM 821 CB ALA A 54 -2.811 3.260 -6.260 1.00 0.00 C ATOM 0 H ALA A 54 -3.619 1.104 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.983 3.019 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.268 4.180 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.803 3.505 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.907 2.672 -5.347 1.00 0.00 H new ATOM 827 N VAL A 55 -0.255 1.087 -6.286 1.00 0.00 N ATOM 828 CA VAL A 55 1.110 0.762 -5.874 1.00 0.00 C ATOM 829 C VAL A 55 1.869 0.224 -7.093 1.00 0.00 C ATOM 830 O VAL A 55 3.056 0.505 -7.263 1.00 0.00 O ATOM 831 CB VAL A 55 1.097 -0.239 -4.698 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.489 -0.402 -4.076 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.182 0.221 -3.561 1.00 0.00 C ATOM 0 H VAL A 55 -0.933 0.358 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 55 1.623 1.653 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 55 0.743 -1.176 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.438 -1.114 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.184 -0.769 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.835 0.561 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.204 -0.514 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.527 1.184 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.838 0.321 -3.933 1.00 0.00 H new ATOM 843 N GLU A 56 1.205 -0.589 -7.922 1.00 0.00 N ATOM 844 CA GLU A 56 1.759 -1.168 -9.145 1.00 0.00 C ATOM 845 C GLU A 56 2.144 -0.004 -10.069 1.00 0.00 C ATOM 846 O GLU A 56 3.222 -0.007 -10.658 1.00 0.00 O ATOM 847 CB GLU A 56 0.710 -2.110 -9.764 1.00 0.00 C ATOM 848 CG GLU A 56 0.448 -3.433 -9.019 1.00 0.00 C ATOM 849 CD GLU A 56 1.171 -4.645 -9.611 1.00 0.00 C ATOM 850 OE1 GLU A 56 2.238 -4.494 -10.246 1.00 0.00 O ATOM 851 OE2 GLU A 56 0.674 -5.781 -9.448 1.00 0.00 O ATOM 0 H GLU A 56 0.239 -0.869 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 56 2.651 -1.766 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.233 -1.568 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.023 -2.347 -10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.752 -3.316 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.624 -3.629 -9.018 1.00 0.00 H new ATOM 858 N GLU A 57 1.318 1.043 -10.114 1.00 0.00 N ATOM 859 CA GLU A 57 1.513 2.246 -10.917 1.00 0.00 C ATOM 860 C GLU A 57 2.762 3.033 -10.493 1.00 0.00 C ATOM 861 O GLU A 57 3.252 3.837 -11.283 1.00 0.00 O ATOM 862 CB GLU A 57 0.263 3.127 -10.789 1.00 0.00 C ATOM 863 CG GLU A 57 -0.949 2.549 -11.525 1.00 0.00 C ATOM 864 CD GLU A 57 -0.866 2.820 -13.018 1.00 0.00 C ATOM 865 OE1 GLU A 57 -1.364 3.895 -13.429 1.00 0.00 O ATOM 866 OE2 GLU A 57 -0.363 1.947 -13.753 1.00 0.00 O ATOM 0 H GLU A 57 0.458 1.074 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 57 1.667 1.947 -11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.017 3.250 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.482 4.120 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.005 1.475 -11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.864 2.986 -11.124 1.00 0.00 H new ATOM 873 N GLU A 58 3.259 2.857 -9.262 1.00 0.00 N ATOM 874 CA GLU A 58 4.462 3.542 -8.787 1.00 0.00 C ATOM 875 C GLU A 58 5.720 2.751 -9.177 1.00 0.00 C ATOM 876 O GLU A 58 6.830 3.256 -8.978 1.00 0.00 O ATOM 877 CB GLU A 58 4.437 3.726 -7.258 1.00 0.00 C ATOM 878 CG GLU A 58 3.642 4.931 -6.757 1.00 0.00 C ATOM 879 CD GLU A 58 4.156 6.270 -7.301 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.347 6.603 -7.089 1.00 0.00 O ATOM 881 OE2 GLU A 58 3.332 6.970 -7.937 1.00 0.00 O ATOM 0 H GLU A 58 2.838 2.237 -8.571 1.00 0.00 H new ATOM 0 HA GLU A 58 4.484 4.525 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.021 2.825 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.464 3.816 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.596 4.810 -7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.677 4.952 -5.668 1.00 0.00 H new ATOM 888 N GLY A 59 5.578 1.522 -9.686 1.00 0.00 N ATOM 889 CA GLY A 59 6.685 0.675 -10.101 1.00 0.00 C ATOM 890 C GLY A 59 7.105 -0.362 -9.061 1.00 0.00 C ATOM 891 O GLY A 59 8.270 -0.765 -9.065 1.00 0.00 O ATOM 0 H GLY A 59 4.666 1.085 -9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.408 0.159 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.542 1.306 -10.335 1.00 0.00 H new ATOM 895 N TYR A 60 6.240 -0.725 -8.110 1.00 0.00 N ATOM 896 CA TYR A 60 6.503 -1.738 -7.077 1.00 0.00 C ATOM 897 C TYR A 60 5.632 -2.966 -7.382 1.00 0.00 C ATOM 898 O TYR A 60 4.849 -2.938 -8.336 1.00 0.00 O ATOM 899 CB TYR A 60 6.152 -1.183 -5.689 1.00 0.00 C ATOM 900 CG TYR A 60 6.985 -0.003 -5.242 1.00 0.00 C ATOM 901 CD1 TYR A 60 8.203 -0.212 -4.571 1.00 0.00 C ATOM 902 CD2 TYR A 60 6.539 1.305 -5.496 1.00 0.00 C ATOM 903 CE1 TYR A 60 8.982 0.886 -4.167 1.00 0.00 C ATOM 904 CE2 TYR A 60 7.312 2.408 -5.095 1.00 0.00 C ATOM 905 CZ TYR A 60 8.540 2.203 -4.428 1.00 0.00 C ATOM 906 OH TYR A 60 9.341 3.257 -4.122 1.00 0.00 O ATOM 0 H TYR A 60 5.310 -0.312 -8.033 1.00 0.00 H new ATOM 0 HA TYR A 60 7.559 -2.010 -7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.102 -0.889 -5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.260 -1.983 -4.957 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.540 -1.217 -4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.598 1.463 -6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.920 0.723 -3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.967 3.411 -5.297 1.00 0.00 H new ATOM 0 HH TYR A 60 8.890 4.092 -4.365 1.00 0.00 H new ATOM 916 N LYS A 61 5.706 -4.033 -6.576 1.00 0.00 N ATOM 917 CA LYS A 61 4.901 -5.238 -6.757 1.00 0.00 C ATOM 918 C LYS A 61 4.075 -5.427 -5.489 1.00 0.00 C ATOM 919 O LYS A 61 4.648 -5.760 -4.453 1.00 0.00 O ATOM 920 CB LYS A 61 5.809 -6.441 -7.051 1.00 0.00 C ATOM 921 CG LYS A 61 5.004 -7.610 -7.638 1.00 0.00 C ATOM 922 CD LYS A 61 5.382 -8.976 -7.056 1.00 0.00 C ATOM 923 CE LYS A 61 4.661 -9.196 -5.721 1.00 0.00 C ATOM 924 NZ LYS A 61 5.010 -10.499 -5.129 1.00 0.00 N ATOM 0 H LYS A 61 6.334 -4.080 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 61 4.230 -5.146 -7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.592 -6.147 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.304 -6.760 -6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.943 -7.432 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.150 -7.633 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.114 -9.766 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.461 -9.032 -6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.925 -8.397 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.583 -9.142 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.587 -10.574 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.645 -11.263 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.044 -10.581 -5.054 1.00 0.00 H new ATOM 938 N ALA A 62 2.761 -5.223 -5.541 1.00 0.00 N ATOM 939 CA ALA A 62 1.891 -5.370 -4.382 1.00 0.00 C ATOM 940 C ALA A 62 0.943 -6.551 -4.576 1.00 0.00 C ATOM 941 O ALA A 62 0.758 -7.054 -5.686 1.00 0.00 O ATOM 942 CB ALA A 62 1.167 -4.045 -4.097 1.00 0.00 C ATOM 0 H ALA A 62 2.270 -4.950 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 62 2.485 -5.598 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.519 -4.164 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.901 -3.265 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.567 -3.765 -4.963 1.00 0.00 H new ATOM 948 N GLU A 63 0.302 -6.984 -3.492 1.00 0.00 N ATOM 949 CA GLU A 63 -0.621 -8.099 -3.516 1.00 0.00 C ATOM 950 C GLU A 63 -1.588 -8.044 -2.339 1.00 0.00 C ATOM 951 O GLU A 63 -1.172 -7.785 -1.208 1.00 0.00 O ATOM 952 CB GLU A 63 0.207 -9.385 -3.459 1.00 0.00 C ATOM 953 CG GLU A 63 -0.671 -10.626 -3.615 1.00 0.00 C ATOM 954 CD GLU A 63 0.049 -11.632 -4.493 1.00 0.00 C ATOM 955 OE1 GLU A 63 -0.028 -11.467 -5.730 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.745 -12.512 -3.937 1.00 0.00 O ATOM 0 H GLU A 63 0.415 -6.563 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.220 -8.062 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.959 -9.369 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.741 -9.433 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.884 -11.062 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.629 -10.356 -4.059 1.00 0.00 H new ATOM 963 N VAL A 64 -2.882 -8.225 -2.594 1.00 0.00 N ATOM 964 CA VAL A 64 -3.884 -8.218 -1.540 1.00 0.00 C ATOM 965 C VAL A 64 -3.753 -9.534 -0.760 1.00 0.00 C ATOM 966 O VAL A 64 -3.437 -10.580 -1.333 1.00 0.00 O ATOM 967 CB VAL A 64 -5.288 -7.999 -2.146 1.00 0.00 C ATOM 968 CG1 VAL A 64 -5.789 -9.168 -3.007 1.00 0.00 C ATOM 969 CG2 VAL A 64 -6.319 -7.699 -1.047 1.00 0.00 C ATOM 0 H VAL A 64 -3.259 -8.379 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.730 -7.394 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.181 -7.141 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.781 -8.935 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.103 -9.328 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.840 -10.072 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.299 -7.549 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.365 -8.538 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.025 -6.798 -0.509 1.00 0.00 H new ATOM 979 N LEU A 65 -4.041 -9.505 0.540 1.00 0.00 N ATOM 980 CA LEU A 65 -3.982 -10.669 1.423 1.00 0.00 C ATOM 981 C LEU A 65 -5.399 -11.082 1.851 1.00 0.00 C ATOM 982 O LEU A 65 -5.626 -11.492 2.994 1.00 0.00 O ATOM 983 CB LEU A 65 -3.046 -10.388 2.606 1.00 0.00 C ATOM 984 CG LEU A 65 -1.576 -10.106 2.256 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.852 -9.770 3.565 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.906 -11.307 1.574 1.00 0.00 C ATOM 0 H LEU A 65 -4.328 -8.652 1.020 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.560 -11.520 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.437 -9.533 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.080 -11.244 3.280 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.523 -9.278 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.198 -9.563 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.312 -8.893 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.927 -10.615 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.131 -11.063 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.937 -12.168 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.436 -11.543 0.651 1.00 0.00 H new ATOM 998 N ALA A 66 -6.368 -10.899 0.948 1.00 0.00 N ATOM 999 CA ALA A 66 -7.781 -11.215 1.087 1.00 0.00 C ATOM 1000 C ALA A 66 -8.098 -12.296 0.066 1.00 0.00 C ATOM 1001 O ALA A 66 -8.676 -13.331 0.447 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.641 -9.963 0.874 1.00 0.00 C ATOM 0 H ALA A 66 -6.162 -10.495 0.034 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.005 -11.573 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.694 -10.222 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.375 -9.209 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.466 -9.567 -0.126 1.00 0.00 H new TER 1008 ALA A 66