USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=18 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 -140:sc= 0.617 USER MOD Set 1.2: A 60 TYR OH : rot -24:sc= 0.394 USER MOD Single : A 1 MET CE :methyl -123:sc= -0.444 (180deg=-2.06!) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0464 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 150:sc= 0.688 (180deg=0.311) USER MOD Single : A 9 MET CE :methyl -159:sc= -0.0799 (180deg=-0.834) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.125 USER MOD Single : A 12 ASN : amide:sc=-0.000243 X(o=-0.00024,f=-0.46) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 16 MET CE :methyl -164:sc= -0.237 (180deg=-0.806) USER MOD Single : A 19 THR OG1 : rot 71:sc= 0.681 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -0.0281 (180deg=-0.14) USER MOD Single : A 23 LYS NZ :NH3+ -103:sc= 0 (180deg=-1.15) USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= 1.28 (180deg=1.13) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 160:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0527) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= 1.31 (180deg=-0.163) USER MOD Single : A 53 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.64) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0304) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.155 -3.052 7.284 1.00 0.00 N ATOM 2 CA MET A 1 -9.703 -2.911 7.081 1.00 0.00 C ATOM 3 C MET A 1 -9.286 -3.958 6.062 1.00 0.00 C ATOM 4 O MET A 1 -9.728 -5.098 6.165 1.00 0.00 O ATOM 5 CB MET A 1 -8.943 -2.974 8.414 1.00 0.00 C ATOM 6 CG MET A 1 -7.430 -2.772 8.276 1.00 0.00 C ATOM 7 SD MET A 1 -6.502 -4.166 7.574 1.00 0.00 S ATOM 8 CE MET A 1 -6.846 -5.453 8.798 1.00 0.00 C ATOM 0 H1 MET A 1 -11.374 -2.966 8.297 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.653 -2.306 6.758 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.465 -3.984 6.941 1.00 0.00 H new ATOM 0 HA MET A 1 -9.446 -1.930 6.683 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.342 -2.213 9.085 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.129 -3.941 8.882 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.256 -1.895 7.653 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.022 -2.549 9.262 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.907 -5.834 9.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.443 -5.034 9.608 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.396 -6.267 8.325 1.00 0.00 H new ATOM 18 N LEU A 2 -8.475 -3.587 5.066 1.00 0.00 N ATOM 19 CA LEU A 2 -7.992 -4.461 3.995 1.00 0.00 C ATOM 20 C LEU A 2 -6.483 -4.616 4.103 1.00 0.00 C ATOM 21 O LEU A 2 -5.807 -3.627 4.402 1.00 0.00 O ATOM 22 CB LEU A 2 -8.373 -3.833 2.643 1.00 0.00 C ATOM 23 CG LEU A 2 -9.433 -4.664 1.914 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.996 -3.849 0.751 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.883 -5.992 1.385 1.00 0.00 C ATOM 0 H LEU A 2 -8.124 -2.633 4.982 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.446 -5.449 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.749 -2.823 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.484 -3.747 2.018 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.214 -4.903 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.751 -4.435 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.448 -2.934 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.191 -3.596 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.678 -6.539 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.072 -5.796 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.507 -6.587 2.217 1.00 0.00 H new ATOM 37 N LYS A 3 -5.937 -5.809 3.831 1.00 0.00 N ATOM 38 CA LYS A 3 -4.496 -6.042 3.934 1.00 0.00 C ATOM 39 C LYS A 3 -3.877 -6.189 2.558 1.00 0.00 C ATOM 40 O LYS A 3 -4.498 -6.727 1.635 1.00 0.00 O ATOM 41 CB LYS A 3 -4.201 -7.332 4.716 1.00 0.00 C ATOM 42 CG LYS A 3 -4.667 -7.296 6.173 1.00 0.00 C ATOM 43 CD LYS A 3 -4.120 -8.531 6.901 1.00 0.00 C ATOM 44 CE LYS A 3 -4.895 -8.837 8.181 1.00 0.00 C ATOM 45 NZ LYS A 3 -6.081 -9.677 7.912 1.00 0.00 N ATOM 0 H LYS A 3 -6.474 -6.625 3.538 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.071 -5.183 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.683 -8.169 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.128 -7.522 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.315 -6.386 6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.756 -7.282 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.166 -9.393 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.069 -8.372 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.242 -9.346 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.208 -7.904 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.583 -9.865 8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.716 -9.181 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.780 -10.578 7.488 1.00 0.00 H new ATOM 59 N LEU A 4 -2.639 -5.738 2.423 1.00 0.00 N ATOM 60 CA LEU A 4 -1.846 -5.806 1.209 1.00 0.00 C ATOM 61 C LEU A 4 -0.438 -6.178 1.599 1.00 0.00 C ATOM 62 O LEU A 4 0.021 -5.913 2.718 1.00 0.00 O ATOM 63 CB LEU A 4 -1.757 -4.446 0.483 1.00 0.00 C ATOM 64 CG LEU A 4 -2.587 -4.438 -0.817 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.251 -3.096 -1.125 1.00 0.00 C ATOM 66 CD2 LEU A 4 -1.726 -4.774 -2.029 1.00 0.00 C ATOM 0 H LEU A 4 -2.139 -5.295 3.193 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.319 -6.529 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.111 -3.656 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.715 -4.225 0.251 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.357 -5.189 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.815 -3.174 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.926 -2.829 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.486 -2.327 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.342 -4.760 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.928 -4.037 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.291 -5.766 -1.903 1.00 0.00 H new ATOM 78 N LYS A 5 0.245 -6.747 0.628 1.00 0.00 N ATOM 79 CA LYS A 5 1.616 -7.154 0.699 1.00 0.00 C ATOM 80 C LYS A 5 2.275 -6.347 -0.400 1.00 0.00 C ATOM 81 O LYS A 5 1.708 -6.198 -1.484 1.00 0.00 O ATOM 82 CB LYS A 5 1.741 -8.657 0.409 1.00 0.00 C ATOM 83 CG LYS A 5 3.170 -9.191 0.590 1.00 0.00 C ATOM 84 CD LYS A 5 3.623 -9.291 2.052 1.00 0.00 C ATOM 85 CE LYS A 5 5.148 -9.176 2.111 1.00 0.00 C ATOM 86 NZ LYS A 5 5.695 -9.353 3.472 1.00 0.00 N ATOM 0 H LYS A 5 -0.174 -6.945 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 5 2.064 -6.990 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.069 -9.205 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.414 -8.852 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.238 -10.178 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.860 -8.541 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.163 -8.500 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.300 -10.239 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.588 -9.923 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.447 -8.199 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.649 -9.764 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.745 -8.430 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.077 -9.990 4.014 1.00 0.00 H new ATOM 100 N VAL A 6 3.434 -5.804 -0.087 1.00 0.00 N ATOM 101 CA VAL A 6 4.264 -5.038 -1.002 1.00 0.00 C ATOM 102 C VAL A 6 5.665 -5.642 -0.984 1.00 0.00 C ATOM 103 O VAL A 6 6.117 -6.182 0.028 1.00 0.00 O ATOM 104 CB VAL A 6 4.315 -3.553 -0.618 1.00 0.00 C ATOM 105 CG1 VAL A 6 5.001 -2.700 -1.700 1.00 0.00 C ATOM 106 CG2 VAL A 6 2.917 -2.996 -0.395 1.00 0.00 C ATOM 0 H VAL A 6 3.841 -5.886 0.845 1.00 0.00 H new ATOM 0 HA VAL A 6 3.837 -5.088 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 6 4.894 -3.499 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.015 -1.656 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.024 -3.049 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.451 -2.790 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.984 -1.942 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.334 -3.099 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.430 -3.547 0.409 1.00 0.00 H new ATOM 116 N GLU A 7 6.362 -5.499 -2.103 1.00 0.00 N ATOM 117 CA GLU A 7 7.712 -5.951 -2.325 1.00 0.00 C ATOM 118 C GLU A 7 8.377 -4.854 -3.168 1.00 0.00 C ATOM 119 O GLU A 7 7.723 -4.209 -4.000 1.00 0.00 O ATOM 120 CB GLU A 7 7.685 -7.323 -3.024 1.00 0.00 C ATOM 121 CG GLU A 7 8.837 -8.238 -2.600 1.00 0.00 C ATOM 122 CD GLU A 7 10.216 -7.666 -2.923 1.00 0.00 C ATOM 123 OE1 GLU A 7 10.561 -7.551 -4.126 1.00 0.00 O ATOM 124 OE2 GLU A 7 10.960 -7.328 -1.975 1.00 0.00 O ATOM 0 H GLU A 7 5.969 -5.036 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 7 8.277 -6.100 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.738 -7.817 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.725 -7.175 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.770 -8.421 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.727 -9.202 -3.096 1.00 0.00 H new ATOM 131 N GLY A 8 9.671 -4.627 -2.952 1.00 0.00 N ATOM 132 CA GLY A 8 10.470 -3.635 -3.655 1.00 0.00 C ATOM 133 C GLY A 8 10.723 -2.382 -2.822 1.00 0.00 C ATOM 134 O GLY A 8 11.635 -1.623 -3.163 1.00 0.00 O ATOM 0 H GLY A 8 10.207 -5.148 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.425 -4.078 -3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.964 -3.356 -4.579 1.00 0.00 H new ATOM 138 N MET A 9 9.908 -2.098 -1.794 1.00 0.00 N ATOM 139 CA MET A 9 10.123 -0.943 -0.928 1.00 0.00 C ATOM 140 C MET A 9 11.424 -1.274 -0.203 1.00 0.00 C ATOM 141 O MET A 9 11.493 -2.296 0.486 1.00 0.00 O ATOM 142 CB MET A 9 9.001 -0.738 0.103 1.00 0.00 C ATOM 143 CG MET A 9 7.641 -0.401 -0.510 1.00 0.00 C ATOM 144 SD MET A 9 6.339 0.016 0.696 1.00 0.00 S ATOM 145 CE MET A 9 6.440 -1.375 1.868 1.00 0.00 C ATOM 0 H MET A 9 9.093 -2.659 -1.547 1.00 0.00 H new ATOM 0 HA MET A 9 10.149 -0.022 -1.510 1.00 0.00 H new ATOM 0 HB2 MET A 9 8.903 -1.644 0.702 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.289 0.064 0.783 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.765 0.438 -1.194 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.306 -1.251 -1.105 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.502 -1.457 2.417 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.622 -2.300 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 9 7.257 -1.202 2.569 1.00 0.00 H new ATOM 155 N THR A 10 12.433 -0.416 -0.315 1.00 0.00 N ATOM 156 CA THR A 10 13.734 -0.641 0.306 1.00 0.00 C ATOM 157 C THR A 10 14.181 0.528 1.196 1.00 0.00 C ATOM 158 O THR A 10 15.102 0.373 2.002 1.00 0.00 O ATOM 159 CB THR A 10 14.700 -1.029 -0.830 1.00 0.00 C ATOM 160 OG1 THR A 10 15.947 -1.438 -0.326 1.00 0.00 O ATOM 161 CG2 THR A 10 14.886 0.076 -1.878 1.00 0.00 C ATOM 0 H THR A 10 12.372 0.456 -0.840 1.00 0.00 H new ATOM 0 HA THR A 10 13.702 -1.459 1.025 1.00 0.00 H new ATOM 0 HB THR A 10 14.229 -1.870 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.537 -1.679 -1.070 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.578 -0.265 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.924 0.311 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.288 0.968 -1.398 1.00 0.00 H new ATOM 169 N CYS A 11 13.515 1.686 1.116 1.00 0.00 N ATOM 170 CA CYS A 11 13.839 2.861 1.909 1.00 0.00 C ATOM 171 C CYS A 11 12.572 3.581 2.353 1.00 0.00 C ATOM 172 O CYS A 11 11.508 3.381 1.766 1.00 0.00 O ATOM 173 CB CYS A 11 14.691 3.825 1.065 1.00 0.00 C ATOM 174 SG CYS A 11 16.306 3.113 0.641 1.00 0.00 S ATOM 0 H CYS A 11 12.725 1.827 0.487 1.00 0.00 H new ATOM 0 HA CYS A 11 14.391 2.540 2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 11 14.154 4.077 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 11 14.838 4.755 1.615 1.00 0.00 H new ATOM 0 HG CYS A 11 16.982 3.965 -0.071 1.00 0.00 H new ATOM 180 N ASN A 12 12.696 4.489 3.327 1.00 0.00 N ATOM 181 CA ASN A 12 11.558 5.272 3.826 1.00 0.00 C ATOM 182 C ASN A 12 10.972 6.098 2.677 1.00 0.00 C ATOM 183 O ASN A 12 9.759 6.275 2.592 1.00 0.00 O ATOM 184 CB ASN A 12 11.963 6.195 4.985 1.00 0.00 C ATOM 185 CG ASN A 12 12.285 5.440 6.272 1.00 0.00 C ATOM 186 OD1 ASN A 12 11.575 4.510 6.653 1.00 0.00 O ATOM 187 ND2 ASN A 12 13.342 5.816 6.968 1.00 0.00 N ATOM 0 H ASN A 12 13.580 4.702 3.789 1.00 0.00 H new ATOM 0 HA ASN A 12 10.809 4.579 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.833 6.780 4.688 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.155 6.901 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.580 5.334 7.835 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.921 6.589 6.639 1.00 0.00 H new ATOM 194 N HIS A 13 11.820 6.568 1.751 1.00 0.00 N ATOM 195 CA HIS A 13 11.389 7.345 0.592 1.00 0.00 C ATOM 196 C HIS A 13 10.464 6.507 -0.313 1.00 0.00 C ATOM 197 O HIS A 13 9.616 7.069 -1.009 1.00 0.00 O ATOM 198 CB HIS A 13 12.616 7.901 -0.144 1.00 0.00 C ATOM 199 CG HIS A 13 13.433 8.876 0.681 1.00 0.00 C ATOM 200 ND1 HIS A 13 12.988 9.623 1.754 1.00 0.00 N ATOM 201 CD2 HIS A 13 14.739 9.224 0.458 1.00 0.00 C ATOM 202 CE1 HIS A 13 13.991 10.425 2.141 1.00 0.00 C ATOM 203 NE2 HIS A 13 15.100 10.185 1.417 1.00 0.00 N ATOM 0 H HIS A 13 12.828 6.416 1.790 1.00 0.00 H new ATOM 0 HA HIS A 13 10.797 8.200 0.919 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.254 7.071 -0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.287 8.398 -1.056 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.378 8.829 -0.318 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.919 11.163 2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.017 10.614 1.540 1.00 0.00 H new ATOM 211 N CYS A 14 10.618 5.176 -0.307 1.00 0.00 N ATOM 212 CA CYS A 14 9.789 4.256 -1.074 1.00 0.00 C ATOM 213 C CYS A 14 8.448 4.148 -0.347 1.00 0.00 C ATOM 214 O CYS A 14 7.397 4.270 -0.968 1.00 0.00 O ATOM 215 CB CYS A 14 10.419 2.855 -1.154 1.00 0.00 C ATOM 216 SG CYS A 14 12.103 2.898 -1.834 1.00 0.00 S ATOM 0 H CYS A 14 11.337 4.707 0.243 1.00 0.00 H new ATOM 0 HA CYS A 14 9.680 4.631 -2.092 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.442 2.411 -0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.795 2.213 -1.775 1.00 0.00 H new ATOM 0 HG CYS A 14 12.275 1.885 -2.631 1.00 0.00 H new ATOM 222 N VAL A 15 8.481 3.933 0.974 1.00 0.00 N ATOM 223 CA VAL A 15 7.289 3.805 1.805 1.00 0.00 C ATOM 224 C VAL A 15 6.398 5.023 1.600 1.00 0.00 C ATOM 225 O VAL A 15 5.266 4.860 1.151 1.00 0.00 O ATOM 226 CB VAL A 15 7.662 3.596 3.287 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.434 3.527 4.205 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.446 2.296 3.467 1.00 0.00 C ATOM 0 H VAL A 15 9.351 3.843 1.498 1.00 0.00 H new ATOM 0 HA VAL A 15 6.731 2.919 1.503 1.00 0.00 H new ATOM 0 HB VAL A 15 8.264 4.461 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.758 3.379 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.872 4.458 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.799 2.695 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.700 2.167 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.837 1.455 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.361 2.338 2.876 1.00 0.00 H new ATOM 238 N MET A 16 6.897 6.242 1.836 1.00 0.00 N ATOM 239 CA MET A 16 6.089 7.446 1.675 1.00 0.00 C ATOM 240 C MET A 16 5.460 7.586 0.291 1.00 0.00 C ATOM 241 O MET A 16 4.369 8.155 0.195 1.00 0.00 O ATOM 242 CB MET A 16 6.863 8.702 2.086 1.00 0.00 C ATOM 243 CG MET A 16 7.996 9.059 1.118 1.00 0.00 C ATOM 244 SD MET A 16 8.936 10.563 1.504 1.00 0.00 S ATOM 245 CE MET A 16 7.583 11.699 1.880 1.00 0.00 C ATOM 0 H MET A 16 7.856 6.416 2.138 1.00 0.00 H new ATOM 0 HA MET A 16 5.249 7.334 2.360 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.171 9.542 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.279 8.554 3.083 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.691 8.221 1.081 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.572 9.167 0.119 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.952 12.724 1.860 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.793 11.583 1.137 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.185 11.476 2.870 1.00 0.00 H new ATOM 255 N ALA A 17 6.122 7.102 -0.763 1.00 0.00 N ATOM 256 CA ALA A 17 5.595 7.170 -2.112 1.00 0.00 C ATOM 257 C ALA A 17 4.332 6.316 -2.186 1.00 0.00 C ATOM 258 O ALA A 17 3.258 6.802 -2.550 1.00 0.00 O ATOM 259 CB ALA A 17 6.651 6.673 -3.101 1.00 0.00 C ATOM 0 H ALA A 17 7.036 6.654 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 17 5.345 8.199 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.253 6.725 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.541 7.298 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.912 5.641 -2.866 1.00 0.00 H new ATOM 265 N VAL A 18 4.458 5.048 -1.790 1.00 0.00 N ATOM 266 CA VAL A 18 3.362 4.096 -1.799 1.00 0.00 C ATOM 267 C VAL A 18 2.266 4.556 -0.828 1.00 0.00 C ATOM 268 O VAL A 18 1.090 4.477 -1.173 1.00 0.00 O ATOM 269 CB VAL A 18 3.890 2.672 -1.538 1.00 0.00 C ATOM 270 CG1 VAL A 18 2.760 1.671 -1.769 1.00 0.00 C ATOM 271 CG2 VAL A 18 5.017 2.279 -2.507 1.00 0.00 C ATOM 0 H VAL A 18 5.337 4.656 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 18 2.895 4.058 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 18 4.266 2.658 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.126 0.661 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.937 1.888 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.409 1.749 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.354 1.267 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.646 2.318 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.851 2.973 -2.396 1.00 0.00 H new ATOM 281 N THR A 19 2.602 5.098 0.349 1.00 0.00 N ATOM 282 CA THR A 19 1.623 5.592 1.314 1.00 0.00 C ATOM 283 C THR A 19 0.743 6.634 0.619 1.00 0.00 C ATOM 284 O THR A 19 -0.483 6.595 0.739 1.00 0.00 O ATOM 285 CB THR A 19 2.339 6.236 2.515 1.00 0.00 C ATOM 286 OG1 THR A 19 3.209 5.327 3.149 1.00 0.00 O ATOM 287 CG2 THR A 19 1.369 6.743 3.589 1.00 0.00 C ATOM 0 H THR A 19 3.569 5.205 0.657 1.00 0.00 H new ATOM 0 HA THR A 19 1.014 4.765 1.678 1.00 0.00 H new ATOM 0 HB THR A 19 2.889 7.076 2.091 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.980 5.153 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.934 7.186 4.409 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.708 7.494 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.775 5.910 3.966 1.00 0.00 H new ATOM 295 N LYS A 20 1.358 7.575 -0.110 1.00 0.00 N ATOM 296 CA LYS A 20 0.614 8.607 -0.810 1.00 0.00 C ATOM 297 C LYS A 20 -0.217 8.009 -1.935 1.00 0.00 C ATOM 298 O LYS A 20 -1.379 8.378 -2.090 1.00 0.00 O ATOM 299 CB LYS A 20 1.560 9.700 -1.325 1.00 0.00 C ATOM 300 CG LYS A 20 0.705 10.916 -1.685 1.00 0.00 C ATOM 301 CD LYS A 20 1.543 12.164 -1.970 1.00 0.00 C ATOM 302 CE LYS A 20 0.664 13.343 -2.394 1.00 0.00 C ATOM 303 NZ LYS A 20 -0.397 13.669 -1.415 1.00 0.00 N ATOM 0 H LYS A 20 2.370 7.635 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.077 9.071 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.295 9.960 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.113 9.349 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.099 10.683 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.016 11.125 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.111 12.434 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.266 11.947 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.293 14.221 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.203 13.115 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.855 14.563 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.104 12.907 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.022 13.767 -0.468 1.00 0.00 H new ATOM 317 N ALA A 21 0.367 7.090 -2.703 1.00 0.00 N ATOM 318 CA ALA A 21 -0.301 6.426 -3.808 1.00 0.00 C ATOM 319 C ALA A 21 -1.551 5.712 -3.311 1.00 0.00 C ATOM 320 O ALA A 21 -2.593 5.774 -3.939 1.00 0.00 O ATOM 321 CB ALA A 21 0.649 5.449 -4.489 1.00 0.00 C ATOM 0 H ALA A 21 1.331 6.786 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.602 7.174 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.135 4.958 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.515 5.990 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.977 4.699 -3.769 1.00 0.00 H new ATOM 327 N LEU A 22 -1.490 5.071 -2.150 1.00 0.00 N ATOM 328 CA LEU A 22 -2.654 4.386 -1.624 1.00 0.00 C ATOM 329 C LEU A 22 -3.676 5.425 -1.156 1.00 0.00 C ATOM 330 O LEU A 22 -4.865 5.238 -1.361 1.00 0.00 O ATOM 331 CB LEU A 22 -2.221 3.454 -0.491 1.00 0.00 C ATOM 332 CG LEU A 22 -1.584 2.183 -1.075 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.637 1.563 -0.057 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.651 1.159 -1.470 1.00 0.00 C ATOM 0 H LEU A 22 -0.657 5.014 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.125 3.775 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.509 3.963 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.081 3.191 0.124 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.030 2.465 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.189 0.663 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.148 2.277 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.191 1.305 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.169 0.271 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.233 0.883 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.311 1.593 -2.221 1.00 0.00 H new ATOM 346 N LYS A 23 -3.254 6.544 -0.555 1.00 0.00 N ATOM 347 CA LYS A 23 -4.175 7.582 -0.076 1.00 0.00 C ATOM 348 C LYS A 23 -4.919 8.321 -1.184 1.00 0.00 C ATOM 349 O LYS A 23 -6.043 8.760 -0.940 1.00 0.00 O ATOM 350 CB LYS A 23 -3.446 8.559 0.854 1.00 0.00 C ATOM 351 CG LYS A 23 -3.230 7.877 2.208 1.00 0.00 C ATOM 352 CD LYS A 23 -2.391 8.705 3.176 1.00 0.00 C ATOM 353 CE LYS A 23 -2.479 8.071 4.573 1.00 0.00 C ATOM 354 NZ LYS A 23 -1.198 8.150 5.302 1.00 0.00 N ATOM 0 H LYS A 23 -2.270 6.755 -0.388 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.950 7.060 0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.489 8.851 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.031 9.470 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.199 7.672 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.743 6.915 2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.354 8.740 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.752 9.733 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.255 8.574 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.778 7.027 4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.728 7.223 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.586 8.860 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.377 8.423 6.289 1.00 0.00 H new ATOM 368 N LYS A 24 -4.343 8.488 -2.381 1.00 0.00 N ATOM 369 CA LYS A 24 -5.065 9.172 -3.465 1.00 0.00 C ATOM 370 C LYS A 24 -6.285 8.344 -3.894 1.00 0.00 C ATOM 371 O LYS A 24 -7.216 8.927 -4.453 1.00 0.00 O ATOM 372 CB LYS A 24 -4.171 9.481 -4.689 1.00 0.00 C ATOM 373 CG LYS A 24 -3.415 8.226 -5.120 1.00 0.00 C ATOM 374 CD LYS A 24 -2.937 8.073 -6.557 1.00 0.00 C ATOM 375 CE LYS A 24 -1.648 8.819 -6.880 1.00 0.00 C ATOM 376 NZ LYS A 24 -1.130 8.380 -8.189 1.00 0.00 N ATOM 0 H LYS A 24 -3.405 8.169 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.392 10.132 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.784 9.846 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.464 10.273 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.539 8.141 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.056 7.372 -4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.790 7.013 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.722 8.424 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.833 9.893 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.905 8.633 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.090 8.376 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.475 7.421 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.459 9.033 -8.929 1.00 0.00 H new ATOM 390 N VAL A 25 -6.290 7.027 -3.645 1.00 0.00 N ATOM 391 CA VAL A 25 -7.379 6.137 -4.009 1.00 0.00 C ATOM 392 C VAL A 25 -8.665 6.657 -3.367 1.00 0.00 C ATOM 393 O VAL A 25 -8.687 6.924 -2.160 1.00 0.00 O ATOM 394 CB VAL A 25 -7.041 4.681 -3.629 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.193 3.714 -3.902 1.00 0.00 C ATOM 396 CG2 VAL A 25 -5.791 4.154 -4.340 1.00 0.00 C ATOM 0 H VAL A 25 -5.519 6.551 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.529 6.127 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.852 4.720 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.897 2.705 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.066 4.015 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.439 3.732 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.604 3.125 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.944 4.188 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.934 4.773 -4.076 1.00 0.00 H new ATOM 406 N PRO A 26 -9.750 6.790 -4.148 1.00 0.00 N ATOM 407 CA PRO A 26 -11.008 7.290 -3.641 1.00 0.00 C ATOM 408 C PRO A 26 -11.595 6.323 -2.620 1.00 0.00 C ATOM 409 O PRO A 26 -12.017 5.210 -2.963 1.00 0.00 O ATOM 410 CB PRO A 26 -11.890 7.485 -4.868 1.00 0.00 C ATOM 411 CG PRO A 26 -11.359 6.481 -5.881 1.00 0.00 C ATOM 412 CD PRO A 26 -9.865 6.506 -5.576 1.00 0.00 C ATOM 0 HA PRO A 26 -10.904 8.233 -3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.939 7.299 -4.637 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.823 8.505 -5.247 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.790 5.490 -5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.574 6.780 -6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.401 5.551 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.359 7.269 -6.167 1.00 0.00 H new ATOM 420 N GLY A 27 -11.597 6.757 -1.366 1.00 0.00 N ATOM 421 CA GLY A 27 -12.121 6.022 -0.224 1.00 0.00 C ATOM 422 C GLY A 27 -11.064 5.676 0.819 1.00 0.00 C ATOM 423 O GLY A 27 -11.413 5.064 1.831 1.00 0.00 O ATOM 0 H GLY A 27 -11.218 7.668 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.905 6.613 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.585 5.101 -0.578 1.00 0.00 H new ATOM 427 N VAL A 28 -9.788 6.024 0.610 1.00 0.00 N ATOM 428 CA VAL A 28 -8.730 5.718 1.566 1.00 0.00 C ATOM 429 C VAL A 28 -8.576 6.813 2.613 1.00 0.00 C ATOM 430 O VAL A 28 -8.021 7.885 2.369 1.00 0.00 O ATOM 431 CB VAL A 28 -7.412 5.398 0.844 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.283 5.088 1.833 1.00 0.00 C ATOM 433 CG2 VAL A 28 -7.618 4.147 -0.008 1.00 0.00 C ATOM 0 H VAL A 28 -9.467 6.521 -0.221 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.021 4.820 2.111 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.138 6.268 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.368 4.867 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.119 5.950 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.558 4.226 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.691 3.905 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.903 3.313 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.407 4.330 -0.738 1.00 0.00 H new ATOM 443 N GLU A 29 -9.028 6.484 3.819 1.00 0.00 N ATOM 444 CA GLU A 29 -8.971 7.350 4.979 1.00 0.00 C ATOM 445 C GLU A 29 -7.580 7.274 5.604 1.00 0.00 C ATOM 446 O GLU A 29 -7.003 8.308 5.942 1.00 0.00 O ATOM 447 CB GLU A 29 -10.091 6.947 5.946 1.00 0.00 C ATOM 448 CG GLU A 29 -11.469 7.239 5.330 1.00 0.00 C ATOM 449 CD GLU A 29 -11.744 8.746 5.275 1.00 0.00 C ATOM 450 OE1 GLU A 29 -11.247 9.420 4.337 1.00 0.00 O ATOM 451 OE2 GLU A 29 -12.419 9.289 6.173 1.00 0.00 O ATOM 0 H GLU A 29 -9.456 5.579 4.016 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.133 8.393 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.010 5.886 6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.983 7.492 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.517 6.821 4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.244 6.746 5.917 1.00 0.00 H new ATOM 458 N LYS A 30 -7.005 6.077 5.767 1.00 0.00 N ATOM 459 CA LYS A 30 -5.667 5.912 6.323 1.00 0.00 C ATOM 460 C LYS A 30 -5.046 4.665 5.694 1.00 0.00 C ATOM 461 O LYS A 30 -5.741 3.887 5.029 1.00 0.00 O ATOM 462 CB LYS A 30 -5.716 5.877 7.868 1.00 0.00 C ATOM 463 CG LYS A 30 -4.391 6.374 8.475 1.00 0.00 C ATOM 464 CD LYS A 30 -4.377 6.422 10.008 1.00 0.00 C ATOM 465 CE LYS A 30 -5.199 7.570 10.598 1.00 0.00 C ATOM 466 NZ LYS A 30 -4.992 7.677 12.057 1.00 0.00 N ATOM 0 H LYS A 30 -7.458 5.199 5.516 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.030 6.763 6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.538 6.498 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.916 4.860 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.584 5.725 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.180 7.372 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.759 5.478 10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.346 6.513 10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.918 8.507 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.257 7.409 10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.561 8.463 12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.283 6.790 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.986 7.854 12.253 1.00 0.00 H new ATOM 480 N VAL A 31 -3.724 4.549 5.812 1.00 0.00 N ATOM 481 CA VAL A 31 -2.912 3.451 5.314 1.00 0.00 C ATOM 482 C VAL A 31 -1.805 3.294 6.346 1.00 0.00 C ATOM 483 O VAL A 31 -1.219 4.301 6.750 1.00 0.00 O ATOM 484 CB VAL A 31 -2.277 3.742 3.944 1.00 0.00 C ATOM 485 CG1 VAL A 31 -1.718 2.467 3.309 1.00 0.00 C ATOM 486 CG2 VAL A 31 -3.228 4.396 2.943 1.00 0.00 C ATOM 0 H VAL A 31 -3.165 5.260 6.284 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.527 2.562 5.177 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.477 4.451 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.276 2.706 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.956 2.040 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.524 1.746 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.704 4.568 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.080 3.739 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.579 5.348 3.343 1.00 0.00 H new ATOM 496 N GLU A 32 -1.454 2.066 6.701 1.00 0.00 N ATOM 497 CA GLU A 32 -0.428 1.746 7.675 1.00 0.00 C ATOM 498 C GLU A 32 0.604 0.863 6.967 1.00 0.00 C ATOM 499 O GLU A 32 0.527 -0.362 7.029 1.00 0.00 O ATOM 500 CB GLU A 32 -1.129 1.103 8.886 1.00 0.00 C ATOM 501 CG GLU A 32 -0.401 1.286 10.221 1.00 0.00 C ATOM 502 CD GLU A 32 -1.234 0.754 11.393 1.00 0.00 C ATOM 503 OE1 GLU A 32 -2.450 1.041 11.478 1.00 0.00 O ATOM 504 OE2 GLU A 32 -0.688 -0.013 12.216 1.00 0.00 O ATOM 0 H GLU A 32 -1.894 1.237 6.302 1.00 0.00 H new ATOM 0 HA GLU A 32 0.116 2.607 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.131 1.524 8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.247 0.036 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.557 0.766 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.185 2.343 10.377 1.00 0.00 H new ATOM 511 N VAL A 33 1.499 1.470 6.185 1.00 0.00 N ATOM 512 CA VAL A 33 2.553 0.787 5.427 1.00 0.00 C ATOM 513 C VAL A 33 3.777 0.588 6.332 1.00 0.00 C ATOM 514 O VAL A 33 4.086 1.481 7.126 1.00 0.00 O ATOM 515 CB VAL A 33 2.946 1.632 4.190 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.856 0.829 3.249 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.738 2.133 3.383 1.00 0.00 C ATOM 0 H VAL A 33 1.512 2.482 6.057 1.00 0.00 H new ATOM 0 HA VAL A 33 2.187 -0.183 5.089 1.00 0.00 H new ATOM 0 HB VAL A 33 3.470 2.501 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.120 1.442 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.763 0.540 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.332 -0.065 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.086 2.717 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.160 1.281 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.109 2.757 4.018 1.00 0.00 H new ATOM 527 N SER A 34 4.504 -0.520 6.179 1.00 0.00 N ATOM 528 CA SER A 34 5.698 -0.845 6.948 1.00 0.00 C ATOM 529 C SER A 34 6.773 -1.354 5.991 1.00 0.00 C ATOM 530 O SER A 34 6.493 -2.211 5.146 1.00 0.00 O ATOM 531 CB SER A 34 5.342 -1.907 7.987 1.00 0.00 C ATOM 532 OG SER A 34 6.462 -2.272 8.766 1.00 0.00 O ATOM 0 H SER A 34 4.267 -1.237 5.493 1.00 0.00 H new ATOM 0 HA SER A 34 6.079 0.035 7.467 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.554 -1.529 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.945 -2.789 7.484 1.00 0.00 H new ATOM 0 HG SER A 34 6.159 -2.688 9.600 1.00 0.00 H new ATOM 538 N LEU A 35 7.989 -0.817 6.122 1.00 0.00 N ATOM 539 CA LEU A 35 9.144 -1.180 5.313 1.00 0.00 C ATOM 540 C LEU A 35 9.579 -2.597 5.663 1.00 0.00 C ATOM 541 O LEU A 35 9.558 -3.480 4.809 1.00 0.00 O ATOM 542 CB LEU A 35 10.309 -0.197 5.556 1.00 0.00 C ATOM 543 CG LEU A 35 11.551 -0.465 4.683 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.249 -0.425 3.181 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.624 0.592 4.983 1.00 0.00 C ATOM 0 H LEU A 35 8.198 -0.098 6.815 1.00 0.00 H new ATOM 0 HA LEU A 35 8.868 -1.131 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.959 0.818 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.599 -0.246 6.606 1.00 0.00 H new ATOM 0 HG LEU A 35 11.895 -1.469 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.163 -0.621 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.505 -1.184 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.863 0.559 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.503 0.404 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.230 1.584 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.902 0.540 6.036 1.00 0.00 H new ATOM 557 N GLU A 36 9.934 -2.811 6.931 1.00 0.00 N ATOM 558 CA GLU A 36 10.401 -4.086 7.452 1.00 0.00 C ATOM 559 C GLU A 36 9.393 -5.212 7.200 1.00 0.00 C ATOM 560 O GLU A 36 9.794 -6.288 6.749 1.00 0.00 O ATOM 561 CB GLU A 36 10.799 -3.939 8.938 1.00 0.00 C ATOM 562 CG GLU A 36 9.614 -3.651 9.872 1.00 0.00 C ATOM 563 CD GLU A 36 10.018 -3.207 11.279 1.00 0.00 C ATOM 564 OE1 GLU A 36 10.567 -2.091 11.437 1.00 0.00 O ATOM 565 OE2 GLU A 36 9.657 -3.914 12.249 1.00 0.00 O ATOM 0 H GLU A 36 9.902 -2.078 7.640 1.00 0.00 H new ATOM 0 HA GLU A 36 11.298 -4.380 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.293 -4.854 9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.527 -3.133 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.992 -2.876 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.000 -4.548 9.949 1.00 0.00 H new ATOM 572 N LYS A 37 8.093 -4.970 7.414 1.00 0.00 N ATOM 573 CA LYS A 37 7.084 -6.008 7.212 1.00 0.00 C ATOM 574 C LYS A 37 6.659 -6.171 5.755 1.00 0.00 C ATOM 575 O LYS A 37 6.112 -7.227 5.427 1.00 0.00 O ATOM 576 CB LYS A 37 5.867 -5.779 8.127 1.00 0.00 C ATOM 577 CG LYS A 37 6.286 -5.662 9.603 1.00 0.00 C ATOM 578 CD LYS A 37 5.091 -5.632 10.560 1.00 0.00 C ATOM 579 CE LYS A 37 5.551 -5.545 12.022 1.00 0.00 C ATOM 580 NZ LYS A 37 6.231 -6.772 12.487 1.00 0.00 N ATOM 0 H LYS A 37 7.722 -4.072 7.724 1.00 0.00 H new ATOM 0 HA LYS A 37 7.558 -6.949 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.347 -4.871 7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.163 -6.603 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.930 -6.503 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.876 -4.755 9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.455 -4.778 10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.487 -6.528 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.226 -4.697 12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.687 -5.352 12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.413 -6.702 13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.626 -7.597 12.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.133 -6.881 11.982 1.00 0.00 H new ATOM 594 N GLY A 38 6.911 -5.194 4.873 1.00 0.00 N ATOM 595 CA GLY A 38 6.508 -5.279 3.471 1.00 0.00 C ATOM 596 C GLY A 38 4.995 -5.484 3.393 1.00 0.00 C ATOM 597 O GLY A 38 4.498 -6.223 2.549 1.00 0.00 O ATOM 0 H GLY A 38 7.397 -4.330 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.791 -4.368 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.024 -6.105 2.981 1.00 0.00 H new ATOM 601 N GLU A 39 4.246 -4.884 4.315 1.00 0.00 N ATOM 602 CA GLU A 39 2.803 -5.006 4.390 1.00 0.00 C ATOM 603 C GLU A 39 2.192 -3.641 4.637 1.00 0.00 C ATOM 604 O GLU A 39 2.817 -2.752 5.228 1.00 0.00 O ATOM 605 CB GLU A 39 2.420 -5.982 5.525 1.00 0.00 C ATOM 606 CG GLU A 39 2.453 -7.436 5.039 1.00 0.00 C ATOM 607 CD GLU A 39 1.986 -8.448 6.086 1.00 0.00 C ATOM 608 OE1 GLU A 39 2.815 -8.901 6.902 1.00 0.00 O ATOM 609 OE2 GLU A 39 0.813 -8.891 6.019 1.00 0.00 O ATOM 0 H GLU A 39 4.639 -4.288 5.044 1.00 0.00 H new ATOM 0 HA GLU A 39 2.420 -5.399 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.108 -5.859 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.423 -5.742 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.824 -7.527 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.470 -7.685 4.735 1.00 0.00 H new ATOM 616 N ALA A 40 0.943 -3.502 4.207 1.00 0.00 N ATOM 617 CA ALA A 40 0.141 -2.300 4.352 1.00 0.00 C ATOM 618 C ALA A 40 -1.276 -2.668 4.778 1.00 0.00 C ATOM 619 O ALA A 40 -1.764 -3.749 4.446 1.00 0.00 O ATOM 620 CB ALA A 40 0.131 -1.541 3.041 1.00 0.00 C ATOM 0 H ALA A 40 0.445 -4.254 3.730 1.00 0.00 H new ATOM 0 HA ALA A 40 0.572 -1.662 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.471 -0.638 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.151 -1.267 2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.295 -2.170 2.259 1.00 0.00 H new ATOM 626 N LEU A 41 -1.936 -1.785 5.528 1.00 0.00 N ATOM 627 CA LEU A 41 -3.293 -1.997 6.026 1.00 0.00 C ATOM 628 C LEU A 41 -4.066 -0.729 5.711 1.00 0.00 C ATOM 629 O LEU A 41 -3.582 0.350 6.055 1.00 0.00 O ATOM 630 CB LEU A 41 -3.305 -2.267 7.543 1.00 0.00 C ATOM 631 CG LEU A 41 -2.758 -3.644 7.979 1.00 0.00 C ATOM 632 CD1 LEU A 41 -1.228 -3.679 8.114 1.00 0.00 C ATOM 633 CD2 LEU A 41 -3.337 -4.020 9.346 1.00 0.00 C ATOM 0 H LEU A 41 -1.536 -0.890 5.810 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.740 -2.871 5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.721 -1.491 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.329 -2.172 7.903 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.054 -4.343 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.913 -4.676 8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.772 -3.436 7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.912 -2.951 8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.949 -4.992 9.651 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.051 -3.268 10.082 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.424 -4.068 9.280 1.00 0.00 H new ATOM 645 N VAL A 42 -5.239 -0.836 5.092 1.00 0.00 N ATOM 646 CA VAL A 42 -6.077 0.295 4.709 1.00 0.00 C ATOM 647 C VAL A 42 -7.349 0.293 5.537 1.00 0.00 C ATOM 648 O VAL A 42 -8.141 -0.650 5.460 1.00 0.00 O ATOM 649 CB VAL A 42 -6.355 0.232 3.193 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.505 1.145 2.734 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.084 0.656 2.455 1.00 0.00 C ATOM 0 H VAL A 42 -5.643 -1.737 4.836 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.566 1.236 4.910 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.651 -0.792 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.640 1.046 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.424 0.856 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.266 2.181 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.258 0.619 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.817 1.672 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.270 -0.021 2.714 1.00 0.00 H new ATOM 661 N GLU A 43 -7.548 1.361 6.307 1.00 0.00 N ATOM 662 CA GLU A 43 -8.718 1.544 7.151 1.00 0.00 C ATOM 663 C GLU A 43 -9.904 2.088 6.339 1.00 0.00 C ATOM 664 O GLU A 43 -11.040 2.010 6.803 1.00 0.00 O ATOM 665 CB GLU A 43 -8.371 2.503 8.298 1.00 0.00 C ATOM 666 CG GLU A 43 -7.739 1.784 9.500 1.00 0.00 C ATOM 667 CD GLU A 43 -8.803 1.313 10.495 1.00 0.00 C ATOM 668 OE1 GLU A 43 -9.632 0.440 10.152 1.00 0.00 O ATOM 669 OE2 GLU A 43 -8.837 1.858 11.626 1.00 0.00 O ATOM 0 H GLU A 43 -6.886 2.135 6.360 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.011 0.577 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.683 3.266 7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.275 3.018 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.162 0.928 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.042 2.455 10.002 1.00 0.00 H new ATOM 676 N GLY A 44 -9.647 2.633 5.142 1.00 0.00 N ATOM 677 CA GLY A 44 -10.664 3.186 4.254 1.00 0.00 C ATOM 678 C GLY A 44 -11.564 2.106 3.652 1.00 0.00 C ATOM 679 O GLY A 44 -11.329 0.914 3.844 1.00 0.00 O ATOM 0 H GLY A 44 -8.703 2.700 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.276 3.898 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.178 3.739 3.450 1.00 0.00 H new ATOM 683 N THR A 45 -12.563 2.505 2.869 1.00 0.00 N ATOM 684 CA THR A 45 -13.523 1.597 2.244 1.00 0.00 C ATOM 685 C THR A 45 -13.152 1.217 0.808 1.00 0.00 C ATOM 686 O THR A 45 -13.873 0.449 0.162 1.00 0.00 O ATOM 687 CB THR A 45 -14.905 2.271 2.312 1.00 0.00 C ATOM 688 OG1 THR A 45 -14.863 3.552 1.700 1.00 0.00 O ATOM 689 CG2 THR A 45 -15.373 2.488 3.756 1.00 0.00 C ATOM 0 H THR A 45 -12.732 3.486 2.647 1.00 0.00 H new ATOM 0 HA THR A 45 -13.524 0.652 2.787 1.00 0.00 H new ATOM 0 HB THR A 45 -15.593 1.601 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.749 3.967 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.353 2.966 3.753 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.440 1.527 4.265 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.660 3.126 4.278 1.00 0.00 H new ATOM 697 N ALA A 46 -12.026 1.750 0.332 1.00 0.00 N ATOM 698 CA ALA A 46 -11.481 1.573 -1.002 1.00 0.00 C ATOM 699 C ALA A 46 -11.475 0.127 -1.502 1.00 0.00 C ATOM 700 O ALA A 46 -11.320 -0.816 -0.722 1.00 0.00 O ATOM 701 CB ALA A 46 -10.073 2.148 -1.025 1.00 0.00 C ATOM 0 H ALA A 46 -11.439 2.353 0.908 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.141 2.103 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.646 2.024 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.109 3.208 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.454 1.624 -0.297 1.00 0.00 H new ATOM 707 N ASP A 47 -11.620 -0.041 -2.818 1.00 0.00 N ATOM 708 CA ASP A 47 -11.650 -1.362 -3.437 1.00 0.00 C ATOM 709 C ASP A 47 -10.252 -1.969 -3.405 1.00 0.00 C ATOM 710 O ASP A 47 -9.287 -1.293 -3.768 1.00 0.00 O ATOM 711 CB ASP A 47 -12.131 -1.342 -4.894 1.00 0.00 C ATOM 712 CG ASP A 47 -13.648 -1.237 -5.052 1.00 0.00 C ATOM 713 OD1 ASP A 47 -14.368 -1.111 -4.038 1.00 0.00 O ATOM 714 OD2 ASP A 47 -14.128 -1.247 -6.210 1.00 0.00 O ATOM 0 H ASP A 47 -11.719 0.730 -3.478 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.361 -1.955 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.664 -0.501 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.787 -2.249 -5.391 1.00 0.00 H new ATOM 719 N PRO A 48 -10.114 -3.262 -3.075 1.00 0.00 N ATOM 720 CA PRO A 48 -8.812 -3.912 -3.006 1.00 0.00 C ATOM 721 C PRO A 48 -8.062 -3.865 -4.337 1.00 0.00 C ATOM 722 O PRO A 48 -6.861 -3.596 -4.368 1.00 0.00 O ATOM 723 CB PRO A 48 -9.077 -5.338 -2.524 1.00 0.00 C ATOM 724 CG PRO A 48 -10.580 -5.546 -2.661 1.00 0.00 C ATOM 725 CD PRO A 48 -11.181 -4.150 -2.656 1.00 0.00 C ATOM 0 HA PRO A 48 -8.151 -3.389 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.525 -6.063 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.756 -5.468 -1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.821 -6.075 -3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.971 -6.145 -1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.032 -4.088 -3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.545 -3.884 -1.664 1.00 0.00 H new ATOM 733 N LYS A 49 -8.787 -4.081 -5.434 1.00 0.00 N ATOM 734 CA LYS A 49 -8.260 -4.059 -6.793 1.00 0.00 C ATOM 735 C LYS A 49 -7.647 -2.708 -7.152 1.00 0.00 C ATOM 736 O LYS A 49 -6.698 -2.666 -7.930 1.00 0.00 O ATOM 737 CB LYS A 49 -9.360 -4.471 -7.780 1.00 0.00 C ATOM 738 CG LYS A 49 -10.750 -3.846 -7.573 1.00 0.00 C ATOM 739 CD LYS A 49 -11.732 -4.467 -8.572 1.00 0.00 C ATOM 740 CE LYS A 49 -13.193 -4.206 -8.215 1.00 0.00 C ATOM 741 NZ LYS A 49 -13.579 -2.800 -8.418 1.00 0.00 N ATOM 0 H LYS A 49 -9.786 -4.282 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.447 -4.782 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.023 -4.223 -8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.466 -5.555 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.092 -4.019 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.702 -2.766 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.530 -4.069 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.562 -5.543 -8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.832 -4.847 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.364 -4.480 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.768 -2.355 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.806 -2.293 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.436 -2.757 -9.005 1.00 0.00 H new ATOM 755 N ALA A 50 -8.197 -1.624 -6.606 1.00 0.00 N ATOM 756 CA ALA A 50 -7.702 -0.275 -6.845 1.00 0.00 C ATOM 757 C ALA A 50 -6.468 -0.003 -5.975 1.00 0.00 C ATOM 758 O ALA A 50 -5.558 0.712 -6.385 1.00 0.00 O ATOM 759 CB ALA A 50 -8.802 0.744 -6.519 1.00 0.00 C ATOM 0 H ALA A 50 -9.003 -1.661 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.421 -0.181 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.429 1.752 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.669 0.559 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.091 0.645 -5.473 1.00 0.00 H new ATOM 765 N LEU A 51 -6.442 -0.562 -4.759 1.00 0.00 N ATOM 766 CA LEU A 51 -5.344 -0.393 -3.810 1.00 0.00 C ATOM 767 C LEU A 51 -4.075 -0.992 -4.399 1.00 0.00 C ATOM 768 O LEU A 51 -3.084 -0.281 -4.529 1.00 0.00 O ATOM 769 CB LEU A 51 -5.662 -1.007 -2.436 1.00 0.00 C ATOM 770 CG LEU A 51 -6.787 -0.319 -1.647 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.118 -1.139 -0.394 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.409 1.106 -1.243 1.00 0.00 C ATOM 0 H LEU A 51 -7.195 -1.152 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.198 0.674 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.930 -2.054 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.755 -0.990 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.660 -0.262 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.916 -0.647 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.442 -2.137 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.231 -1.216 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.231 1.557 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.518 1.082 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.208 1.697 -2.137 1.00 0.00 H new ATOM 784 N VAL A 52 -4.092 -2.278 -4.772 1.00 0.00 N ATOM 785 CA VAL A 52 -2.939 -2.942 -5.367 1.00 0.00 C ATOM 786 C VAL A 52 -2.469 -2.154 -6.602 1.00 0.00 C ATOM 787 O VAL A 52 -1.268 -1.934 -6.741 1.00 0.00 O ATOM 788 CB VAL A 52 -3.264 -4.433 -5.613 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.352 -4.710 -6.653 1.00 0.00 C ATOM 790 CG2 VAL A 52 -2.023 -5.243 -5.984 1.00 0.00 C ATOM 0 H VAL A 52 -4.907 -2.882 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.086 -2.946 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.658 -4.753 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.500 -5.786 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.284 -4.242 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.048 -4.300 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.303 -6.284 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.584 -4.839 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.295 -5.185 -5.174 1.00 0.00 H new ATOM 800 N GLN A 53 -3.392 -1.661 -7.442 1.00 0.00 N ATOM 801 CA GLN A 53 -3.060 -0.891 -8.638 1.00 0.00 C ATOM 802 C GLN A 53 -2.244 0.349 -8.261 1.00 0.00 C ATOM 803 O GLN A 53 -1.221 0.614 -8.888 1.00 0.00 O ATOM 804 CB GLN A 53 -4.344 -0.509 -9.394 1.00 0.00 C ATOM 805 CG GLN A 53 -4.094 -0.137 -10.869 1.00 0.00 C ATOM 806 CD GLN A 53 -3.447 1.240 -11.076 1.00 0.00 C ATOM 807 OE1 GLN A 53 -3.849 2.234 -10.472 1.00 0.00 O ATOM 808 NE2 GLN A 53 -2.453 1.355 -11.944 1.00 0.00 N ATOM 0 H GLN A 53 -4.395 -1.789 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.449 -1.504 -9.300 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.045 -1.343 -9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.818 0.333 -8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.455 -0.896 -11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.044 -0.162 -11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.117 0.533 -12.446 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.023 2.265 -12.110 1.00 0.00 H new ATOM 817 N ALA A 54 -2.651 1.080 -7.218 1.00 0.00 N ATOM 818 CA ALA A 54 -1.950 2.274 -6.766 1.00 0.00 C ATOM 819 C ALA A 54 -0.513 1.973 -6.312 1.00 0.00 C ATOM 820 O ALA A 54 0.331 2.864 -6.285 1.00 0.00 O ATOM 821 CB ALA A 54 -2.747 2.952 -5.659 1.00 0.00 C ATOM 0 H ALA A 54 -3.479 0.855 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.867 2.954 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.218 3.845 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.730 3.233 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.864 2.264 -4.821 1.00 0.00 H new ATOM 827 N VAL A 55 -0.204 0.741 -5.914 1.00 0.00 N ATOM 828 CA VAL A 55 1.152 0.371 -5.510 1.00 0.00 C ATOM 829 C VAL A 55 1.937 -0.016 -6.769 1.00 0.00 C ATOM 830 O VAL A 55 3.122 0.302 -6.896 1.00 0.00 O ATOM 831 CB VAL A 55 1.128 -0.785 -4.498 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.549 -1.095 -4.004 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.229 -0.475 -3.298 1.00 0.00 C ATOM 0 H VAL A 55 -0.878 -0.023 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 55 1.636 1.215 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 55 0.720 -1.654 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.514 -1.916 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.175 -1.378 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.968 -0.211 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.241 -1.318 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.596 0.416 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.791 -0.302 -3.642 1.00 0.00 H new ATOM 843 N GLU A 56 1.278 -0.702 -7.702 1.00 0.00 N ATOM 844 CA GLU A 56 1.869 -1.142 -8.952 1.00 0.00 C ATOM 845 C GLU A 56 2.214 0.060 -9.837 1.00 0.00 C ATOM 846 O GLU A 56 3.252 0.030 -10.504 1.00 0.00 O ATOM 847 CB GLU A 56 0.936 -2.157 -9.628 1.00 0.00 C ATOM 848 CG GLU A 56 0.903 -3.476 -8.839 1.00 0.00 C ATOM 849 CD GLU A 56 0.047 -4.553 -9.505 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.131 -4.298 -9.852 1.00 0.00 O ATOM 851 OE2 GLU A 56 0.552 -5.693 -9.636 1.00 0.00 O ATOM 0 H GLU A 56 0.299 -0.970 -7.602 1.00 0.00 H new ATOM 0 HA GLU A 56 2.814 -1.653 -8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.070 -1.744 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.273 -2.346 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.921 -3.849 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.519 -3.283 -7.837 1.00 0.00 H new ATOM 858 N GLU A 57 1.423 1.141 -9.808 1.00 0.00 N ATOM 859 CA GLU A 57 1.699 2.332 -10.612 1.00 0.00 C ATOM 860 C GLU A 57 2.970 3.038 -10.119 1.00 0.00 C ATOM 861 O GLU A 57 3.583 3.785 -10.877 1.00 0.00 O ATOM 862 CB GLU A 57 0.498 3.295 -10.678 1.00 0.00 C ATOM 863 CG GLU A 57 0.288 4.179 -9.436 1.00 0.00 C ATOM 864 CD GLU A 57 -0.836 5.210 -9.586 1.00 0.00 C ATOM 865 OE1 GLU A 57 -1.155 5.644 -10.718 1.00 0.00 O ATOM 866 OE2 GLU A 57 -1.400 5.679 -8.573 1.00 0.00 O ATOM 0 H GLU A 57 0.584 1.212 -9.233 1.00 0.00 H new ATOM 0 HA GLU A 57 1.872 1.997 -11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.621 3.942 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.406 2.709 -10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.069 3.540 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.218 4.701 -9.213 1.00 0.00 H new ATOM 873 N GLU A 58 3.368 2.820 -8.861 1.00 0.00 N ATOM 874 CA GLU A 58 4.567 3.400 -8.265 1.00 0.00 C ATOM 875 C GLU A 58 5.792 2.534 -8.597 1.00 0.00 C ATOM 876 O GLU A 58 6.896 2.834 -8.142 1.00 0.00 O ATOM 877 CB GLU A 58 4.388 3.525 -6.744 1.00 0.00 C ATOM 878 CG GLU A 58 3.358 4.568 -6.314 1.00 0.00 C ATOM 879 CD GLU A 58 3.778 6.011 -6.591 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.941 6.395 -6.335 1.00 0.00 O ATOM 881 OE2 GLU A 58 2.919 6.850 -6.947 1.00 0.00 O ATOM 0 H GLU A 58 2.851 2.221 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 58 4.727 4.396 -8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.094 2.555 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.350 3.776 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.418 4.369 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.166 4.455 -5.247 1.00 0.00 H new ATOM 888 N GLY A 59 5.614 1.445 -9.351 1.00 0.00 N ATOM 889 CA GLY A 59 6.665 0.535 -9.769 1.00 0.00 C ATOM 890 C GLY A 59 6.975 -0.589 -8.784 1.00 0.00 C ATOM 891 O GLY A 59 7.967 -1.296 -8.992 1.00 0.00 O ATOM 0 H GLY A 59 4.695 1.169 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.383 0.093 -10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.575 1.109 -9.940 1.00 0.00 H new ATOM 895 N TYR A 60 6.181 -0.753 -7.721 1.00 0.00 N ATOM 896 CA TYR A 60 6.381 -1.796 -6.717 1.00 0.00 C ATOM 897 C TYR A 60 5.529 -3.023 -7.058 1.00 0.00 C ATOM 898 O TYR A 60 4.647 -2.958 -7.917 1.00 0.00 O ATOM 899 CB TYR A 60 6.110 -1.226 -5.319 1.00 0.00 C ATOM 900 CG TYR A 60 7.085 -0.119 -4.957 1.00 0.00 C ATOM 901 CD1 TYR A 60 8.377 -0.432 -4.502 1.00 0.00 C ATOM 902 CD2 TYR A 60 6.737 1.222 -5.185 1.00 0.00 C ATOM 903 CE1 TYR A 60 9.321 0.591 -4.298 1.00 0.00 C ATOM 904 CE2 TYR A 60 7.669 2.255 -4.975 1.00 0.00 C ATOM 905 CZ TYR A 60 8.975 1.937 -4.540 1.00 0.00 C ATOM 906 OH TYR A 60 9.919 2.901 -4.357 1.00 0.00 O ATOM 0 H TYR A 60 5.374 -0.158 -7.534 1.00 0.00 H new ATOM 0 HA TYR A 60 7.417 -2.135 -6.719 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.091 -0.840 -5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.179 -2.026 -4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.646 -1.460 -4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.741 1.464 -5.526 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.315 0.345 -3.955 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.388 3.284 -5.145 1.00 0.00 H new ATOM 0 HH TYR A 60 10.597 2.580 -3.726 1.00 0.00 H new ATOM 916 N LYS A 61 5.788 -4.161 -6.410 1.00 0.00 N ATOM 917 CA LYS A 61 5.069 -5.416 -6.634 1.00 0.00 C ATOM 918 C LYS A 61 4.159 -5.640 -5.448 1.00 0.00 C ATOM 919 O LYS A 61 4.672 -5.909 -4.362 1.00 0.00 O ATOM 920 CB LYS A 61 6.080 -6.565 -6.794 1.00 0.00 C ATOM 921 CG LYS A 61 6.606 -6.633 -8.232 1.00 0.00 C ATOM 922 CD LYS A 61 5.744 -7.542 -9.119 1.00 0.00 C ATOM 923 CE LYS A 61 5.947 -7.280 -10.619 1.00 0.00 C ATOM 924 NZ LYS A 61 7.367 -7.293 -11.021 1.00 0.00 N ATOM 0 H LYS A 61 6.518 -4.237 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 61 4.472 -5.375 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.912 -6.422 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.607 -7.511 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.630 -5.629 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.632 -7.001 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.981 -8.584 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.693 -7.395 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.407 -8.035 -11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.512 -6.314 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.436 -7.212 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.861 -6.492 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.807 -8.184 -10.713 1.00 0.00 H new ATOM 938 N ALA A 62 2.844 -5.525 -5.638 1.00 0.00 N ATOM 939 CA ALA A 62 1.885 -5.718 -4.562 1.00 0.00 C ATOM 940 C ALA A 62 0.877 -6.818 -4.875 1.00 0.00 C ATOM 941 O ALA A 62 0.729 -7.214 -6.032 1.00 0.00 O ATOM 942 CB ALA A 62 1.169 -4.391 -4.306 1.00 0.00 C ATOM 0 H ALA A 62 2.421 -5.297 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 62 2.424 -6.038 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.445 -4.518 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.899 -3.633 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.652 -4.076 -5.212 1.00 0.00 H new ATOM 948 N GLU A 63 0.159 -7.282 -3.852 1.00 0.00 N ATOM 949 CA GLU A 63 -0.881 -8.302 -3.913 1.00 0.00 C ATOM 950 C GLU A 63 -1.713 -8.192 -2.630 1.00 0.00 C ATOM 951 O GLU A 63 -1.191 -7.879 -1.556 1.00 0.00 O ATOM 952 CB GLU A 63 -0.296 -9.707 -4.123 1.00 0.00 C ATOM 953 CG GLU A 63 0.634 -10.168 -2.996 1.00 0.00 C ATOM 954 CD GLU A 63 1.232 -11.540 -3.288 1.00 0.00 C ATOM 955 OE1 GLU A 63 1.991 -11.669 -4.277 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.957 -12.482 -2.502 1.00 0.00 O ATOM 0 H GLU A 63 0.298 -6.933 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.523 -8.135 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.115 -10.420 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.254 -9.724 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.436 -9.441 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.080 -10.204 -2.058 1.00 0.00 H new ATOM 963 N VAL A 64 -3.025 -8.370 -2.732 1.00 0.00 N ATOM 964 CA VAL A 64 -3.939 -8.288 -1.604 1.00 0.00 C ATOM 965 C VAL A 64 -3.814 -9.582 -0.794 1.00 0.00 C ATOM 966 O VAL A 64 -3.470 -10.626 -1.348 1.00 0.00 O ATOM 967 CB VAL A 64 -5.357 -8.027 -2.161 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.421 -7.942 -1.060 1.00 0.00 C ATOM 969 CG2 VAL A 64 -5.394 -6.700 -2.946 1.00 0.00 C ATOM 0 H VAL A 64 -3.489 -8.579 -3.616 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.707 -7.468 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.584 -8.875 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.396 -7.758 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.448 -8.881 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.176 -7.127 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.400 -6.533 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.117 -5.879 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.691 -6.750 -3.778 1.00 0.00 H new ATOM 979 N LEU A 65 -4.099 -9.517 0.514 1.00 0.00 N ATOM 980 CA LEU A 65 -4.041 -10.664 1.423 1.00 0.00 C ATOM 981 C LEU A 65 -5.365 -10.818 2.174 1.00 0.00 C ATOM 982 O LEU A 65 -5.437 -10.646 3.393 1.00 0.00 O ATOM 983 CB LEU A 65 -2.840 -10.593 2.384 1.00 0.00 C ATOM 984 CG LEU A 65 -1.444 -10.711 1.743 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.416 -10.729 2.882 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.233 -11.989 0.923 1.00 0.00 C ATOM 0 H LEU A 65 -4.380 -8.652 0.975 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.888 -11.557 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.890 -9.647 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.945 -11.388 3.123 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.336 -9.869 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.588 -10.812 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.495 -9.807 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.610 -11.581 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.225 -11.992 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.363 -12.859 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.960 -12.025 0.112 1.00 0.00 H new ATOM 998 N ALA A 66 -6.458 -10.998 1.436 1.00 0.00 N ATOM 999 CA ALA A 66 -7.797 -11.207 1.980 1.00 0.00 C ATOM 1000 C ALA A 66 -7.865 -12.597 2.596 1.00 0.00 C ATOM 1001 O ALA A 66 -7.632 -13.590 1.878 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.852 -11.050 0.886 1.00 0.00 C ATOM 0 H ALA A 66 -6.436 -11.003 0.416 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.001 -10.459 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.843 -11.209 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.794 -10.046 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.672 -11.783 0.099 1.00 0.00 H new TER 1008 ALA A 66