USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 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 -111:sc= -0.429 USER MOD Set 1.2: A 60 TYR OH : rot -68:sc= 0.464 USER MOD Set 2.1: A 11 CYS SG : rot 180:sc= -0.282 USER MOD Set 2.2: A 12 ASN : amide:sc= 0.737 K(o=1.6,f=-0.61) USER MOD Set 2.3: A 13 HIS : no HE2:sc= 1.16 K(o=1.6,f=-6.8!) USER MOD Single : A 1 MET CE :methyl -126:sc= 0 (180deg=-0.00326) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.792 (180deg=0.716) USER MOD Single : A 3 LYS NZ :NH3+ 142:sc= -0.647 (180deg=-2.8!) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0842) USER MOD Single : A 9 MET CE :methyl 176:sc= 0 (180deg=-0.0373) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 92:sc= 1.32 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -131:sc= 0.0228 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0225 X(o=-0.022,f=-0.0065) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0211) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.545 7.867 3.023 1.00 0.00 N ATOM 2 CA MET A 1 9.628 7.823 2.033 1.00 0.00 C ATOM 3 C MET A 1 9.005 7.796 0.653 1.00 0.00 C ATOM 4 O MET A 1 9.190 8.730 -0.126 1.00 0.00 O ATOM 5 CB MET A 1 10.611 6.661 2.270 1.00 0.00 C ATOM 6 CG MET A 1 11.873 6.854 1.419 1.00 0.00 C ATOM 7 SD MET A 1 13.373 6.071 2.068 1.00 0.00 S ATOM 8 CE MET A 1 13.771 7.261 3.376 1.00 0.00 C ATOM 0 H1 MET A 1 8.950 7.938 3.978 1.00 0.00 H new ATOM 0 H2 MET A 1 7.942 8.694 2.841 1.00 0.00 H new ATOM 0 H3 MET A 1 7.975 7.000 2.952 1.00 0.00 H new ATOM 0 HA MET A 1 10.243 8.717 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.879 6.611 3.325 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.134 5.714 2.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.681 6.461 0.420 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.059 7.923 1.311 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.796 7.609 3.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.089 8.110 3.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.667 6.781 4.349 1.00 0.00 H new ATOM 18 N LEU A 2 8.326 6.703 0.312 1.00 0.00 N ATOM 19 CA LEU A 2 7.640 6.526 -0.957 1.00 0.00 C ATOM 20 C LEU A 2 6.146 6.586 -0.626 1.00 0.00 C ATOM 21 O LEU A 2 5.743 6.564 0.545 1.00 0.00 O ATOM 22 CB LEU A 2 8.087 5.240 -1.683 1.00 0.00 C ATOM 23 CG LEU A 2 9.249 5.462 -2.673 1.00 0.00 C ATOM 24 CD1 LEU A 2 10.557 5.820 -1.965 1.00 0.00 C ATOM 25 CD2 LEU A 2 9.470 4.194 -3.507 1.00 0.00 C ATOM 0 H LEU A 2 8.238 5.897 0.930 1.00 0.00 H new ATOM 0 HA LEU A 2 7.888 7.307 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.389 4.500 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.236 4.823 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 2 8.969 6.300 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.343 5.966 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.422 6.738 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.839 5.011 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.292 4.356 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.714 3.362 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.562 3.962 -4.064 1.00 0.00 H new ATOM 37 N LYS A 3 5.313 6.726 -1.650 1.00 0.00 N ATOM 38 CA LYS A 3 3.867 6.821 -1.503 1.00 0.00 C ATOM 39 C LYS A 3 3.191 5.857 -2.446 1.00 0.00 C ATOM 40 O LYS A 3 3.711 5.621 -3.547 1.00 0.00 O ATOM 41 CB LYS A 3 3.471 8.259 -1.832 1.00 0.00 C ATOM 42 CG LYS A 3 3.709 9.147 -0.609 1.00 0.00 C ATOM 43 CD LYS A 3 3.631 10.634 -0.933 1.00 0.00 C ATOM 44 CE LYS A 3 4.968 11.198 -1.439 1.00 0.00 C ATOM 45 NZ LYS A 3 5.148 11.076 -2.898 1.00 0.00 N ATOM 0 H LYS A 3 5.628 6.777 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 3 3.560 6.565 -0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.054 8.623 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.422 8.300 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.971 8.908 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.689 8.923 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.862 10.798 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.324 11.181 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.038 12.249 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.785 10.680 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.626 11.925 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.726 10.237 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.219 10.979 -3.355 1.00 0.00 H new ATOM 59 N LEU A 4 2.053 5.291 -2.059 1.00 0.00 N ATOM 60 CA LEU A 4 1.323 4.357 -2.902 1.00 0.00 C ATOM 61 C LEU A 4 -0.164 4.678 -2.842 1.00 0.00 C ATOM 62 O LEU A 4 -0.803 4.515 -1.806 1.00 0.00 O ATOM 63 CB LEU A 4 1.618 2.914 -2.464 1.00 0.00 C ATOM 64 CG LEU A 4 1.308 1.891 -3.570 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.377 1.913 -4.675 1.00 0.00 C ATOM 66 CD2 LEU A 4 1.275 0.502 -2.934 1.00 0.00 C ATOM 0 H LEU A 4 1.614 5.467 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 4 1.647 4.456 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.667 2.831 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.028 2.678 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 4 0.350 2.142 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.125 1.178 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.415 2.905 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.349 1.672 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.057 -0.243 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.243 0.286 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.502 0.472 -2.166 1.00 0.00 H new ATOM 78 N LYS A 5 -0.713 5.172 -3.945 1.00 0.00 N ATOM 79 CA LYS A 5 -2.121 5.504 -4.062 1.00 0.00 C ATOM 80 C LYS A 5 -2.799 4.181 -4.358 1.00 0.00 C ATOM 81 O LYS A 5 -2.420 3.536 -5.338 1.00 0.00 O ATOM 82 CB LYS A 5 -2.338 6.538 -5.184 1.00 0.00 C ATOM 83 CG LYS A 5 -3.122 7.753 -4.680 1.00 0.00 C ATOM 84 CD LYS A 5 -3.413 8.726 -5.825 1.00 0.00 C ATOM 85 CE LYS A 5 -4.458 9.782 -5.456 1.00 0.00 C ATOM 86 NZ LYS A 5 -5.810 9.203 -5.317 1.00 0.00 N ATOM 0 H LYS A 5 -0.180 5.355 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.529 5.964 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.373 6.862 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.876 6.073 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.058 7.425 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.553 8.261 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.488 9.223 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.761 8.165 -6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.172 10.262 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.474 10.558 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.509 9.969 -5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.027 8.624 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.847 8.608 -4.465 1.00 0.00 H new ATOM 100 N VAL A 6 -3.717 3.741 -3.508 1.00 0.00 N ATOM 101 CA VAL A 6 -4.430 2.493 -3.703 1.00 0.00 C ATOM 102 C VAL A 6 -5.842 2.880 -4.142 1.00 0.00 C ATOM 103 O VAL A 6 -6.408 3.844 -3.618 1.00 0.00 O ATOM 104 CB VAL A 6 -4.368 1.622 -2.426 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.912 0.210 -2.682 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.925 1.473 -1.903 1.00 0.00 C ATOM 0 H VAL A 6 -3.986 4.244 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.982 1.864 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.981 2.136 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.853 -0.374 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.951 0.274 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.319 -0.273 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.925 0.854 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.308 1.002 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.521 2.457 -1.665 1.00 0.00 H new ATOM 116 N GLU A 7 -6.411 2.173 -5.118 1.00 0.00 N ATOM 117 CA GLU A 7 -7.758 2.426 -5.625 1.00 0.00 C ATOM 118 C GLU A 7 -8.475 1.081 -5.809 1.00 0.00 C ATOM 119 O GLU A 7 -7.878 0.019 -5.590 1.00 0.00 O ATOM 120 CB GLU A 7 -7.708 3.335 -6.870 1.00 0.00 C ATOM 121 CG GLU A 7 -9.037 4.076 -7.103 1.00 0.00 C ATOM 122 CD GLU A 7 -8.877 5.350 -7.939 1.00 0.00 C ATOM 123 OE1 GLU A 7 -8.330 6.357 -7.438 1.00 0.00 O ATOM 124 OE2 GLU A 7 -9.331 5.389 -9.107 1.00 0.00 O ATOM 0 H GLU A 7 -5.942 1.397 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.357 2.992 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.904 4.062 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.471 2.734 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.737 3.406 -7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.476 4.334 -6.139 1.00 0.00 H new ATOM 131 N GLY A 8 -9.762 1.113 -6.150 1.00 0.00 N ATOM 132 CA GLY A 8 -10.599 -0.060 -6.342 1.00 0.00 C ATOM 133 C GLY A 8 -11.722 0.004 -5.314 1.00 0.00 C ATOM 134 O GLY A 8 -12.620 0.835 -5.459 1.00 0.00 O ATOM 0 H GLY A 8 -10.263 1.988 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.006 -0.079 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.015 -0.972 -6.216 1.00 0.00 H new ATOM 138 N MET A 9 -11.637 -0.765 -4.228 1.00 0.00 N ATOM 139 CA MET A 9 -12.659 -0.797 -3.183 1.00 0.00 C ATOM 140 C MET A 9 -12.150 -0.235 -1.853 1.00 0.00 C ATOM 141 O MET A 9 -11.236 -0.809 -1.259 1.00 0.00 O ATOM 142 CB MET A 9 -13.163 -2.245 -3.038 1.00 0.00 C ATOM 143 CG MET A 9 -14.134 -2.452 -1.867 1.00 0.00 C ATOM 144 SD MET A 9 -15.512 -1.277 -1.783 1.00 0.00 S ATOM 145 CE MET A 9 -16.346 -1.655 -3.346 1.00 0.00 C ATOM 0 H MET A 9 -10.850 -1.388 -4.048 1.00 0.00 H new ATOM 0 HA MET A 9 -13.486 -0.150 -3.474 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.657 -2.542 -3.963 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.306 -2.906 -2.908 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.542 -3.461 -1.929 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.571 -2.393 -0.935 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.261 -1.068 -3.421 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.687 -1.409 -4.179 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.592 -2.716 -3.380 1.00 0.00 H new ATOM 155 N THR A 10 -12.706 0.891 -1.393 1.00 0.00 N ATOM 156 CA THR A 10 -12.354 1.519 -0.117 1.00 0.00 C ATOM 157 C THR A 10 -13.246 0.866 0.934 1.00 0.00 C ATOM 158 O THR A 10 -14.448 1.146 0.967 1.00 0.00 O ATOM 159 CB THR A 10 -12.559 3.048 -0.108 1.00 0.00 C ATOM 160 OG1 THR A 10 -13.565 3.459 -1.019 1.00 0.00 O ATOM 161 CG2 THR A 10 -11.266 3.766 -0.462 1.00 0.00 C ATOM 0 H THR A 10 -13.426 1.400 -1.907 1.00 0.00 H new ATOM 0 HA THR A 10 -11.292 1.370 0.078 1.00 0.00 H new ATOM 0 HB THR A 10 -12.873 3.311 0.902 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.663 4.433 -0.980 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.433 4.843 -0.450 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.496 3.510 0.266 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.941 3.460 -1.456 1.00 0.00 H new ATOM 169 N CYS A 11 -12.705 -0.027 1.760 1.00 0.00 N ATOM 170 CA CYS A 11 -13.470 -0.718 2.786 1.00 0.00 C ATOM 171 C CYS A 11 -12.657 -0.809 4.071 1.00 0.00 C ATOM 172 O CYS A 11 -11.427 -0.768 4.066 1.00 0.00 O ATOM 173 CB CYS A 11 -13.833 -2.120 2.261 1.00 0.00 C ATOM 174 SG CYS A 11 -14.933 -3.038 3.373 1.00 0.00 S ATOM 0 H CYS A 11 -11.720 -0.290 1.733 1.00 0.00 H new ATOM 0 HA CYS A 11 -14.384 -0.169 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -14.311 -2.023 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -12.918 -2.693 2.112 1.00 0.00 H new ATOM 0 HG CYS A 11 -15.193 -4.204 2.861 1.00 0.00 H new ATOM 180 N ASN A 12 -13.372 -0.972 5.183 1.00 0.00 N ATOM 181 CA ASN A 12 -12.803 -1.114 6.520 1.00 0.00 C ATOM 182 C ASN A 12 -11.883 -2.334 6.587 1.00 0.00 C ATOM 183 O ASN A 12 -10.919 -2.313 7.351 1.00 0.00 O ATOM 184 CB ASN A 12 -13.902 -1.160 7.597 1.00 0.00 C ATOM 185 CG ASN A 12 -15.182 -1.872 7.170 1.00 0.00 C ATOM 186 OD1 ASN A 12 -15.162 -3.007 6.702 1.00 0.00 O ATOM 187 ND2 ASN A 12 -16.309 -1.184 7.214 1.00 0.00 N ATOM 0 H ASN A 12 -14.391 -1.010 5.177 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.197 -0.232 6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.504 -1.656 8.482 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -14.150 -0.139 7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.172 -1.595 6.857 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.316 -0.242 7.605 1.00 0.00 H new ATOM 194 N HIS A 13 -12.140 -3.367 5.777 1.00 0.00 N ATOM 195 CA HIS A 13 -11.322 -4.574 5.727 1.00 0.00 C ATOM 196 C HIS A 13 -10.184 -4.426 4.714 1.00 0.00 C ATOM 197 O HIS A 13 -9.132 -5.039 4.887 1.00 0.00 O ATOM 198 CB HIS A 13 -12.202 -5.788 5.411 1.00 0.00 C ATOM 199 CG HIS A 13 -13.002 -6.221 6.613 1.00 0.00 C ATOM 200 ND1 HIS A 13 -14.006 -5.507 7.227 1.00 0.00 N ATOM 201 CD2 HIS A 13 -12.726 -7.306 7.399 1.00 0.00 C ATOM 202 CE1 HIS A 13 -14.312 -6.126 8.373 1.00 0.00 C ATOM 203 NE2 HIS A 13 -13.564 -7.233 8.518 1.00 0.00 N ATOM 0 H HIS A 13 -12.931 -3.384 5.133 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.863 -4.728 6.704 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.878 -5.545 4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.576 -6.614 5.073 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -14.440 -4.656 6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.997 -8.076 7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.054 -5.785 9.080 1.00 0.00 H new ATOM 211 N CYS A 14 -10.343 -3.585 3.685 1.00 0.00 N ATOM 212 CA CYS A 14 -9.307 -3.382 2.684 1.00 0.00 C ATOM 213 C CYS A 14 -8.041 -2.821 3.321 1.00 0.00 C ATOM 214 O CYS A 14 -6.963 -3.315 3.009 1.00 0.00 O ATOM 215 CB CYS A 14 -9.794 -2.478 1.555 1.00 0.00 C ATOM 216 SG CYS A 14 -11.012 -3.364 0.546 1.00 0.00 S ATOM 0 H CYS A 14 -11.187 -3.034 3.530 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.070 -4.354 2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.239 -1.572 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.952 -2.167 0.936 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.507 -3.612 -0.626 1.00 0.00 H new ATOM 222 N VAL A 15 -8.132 -1.847 4.234 1.00 0.00 N ATOM 223 CA VAL A 15 -6.922 -1.309 4.862 1.00 0.00 C ATOM 224 C VAL A 15 -6.167 -2.403 5.631 1.00 0.00 C ATOM 225 O VAL A 15 -4.938 -2.362 5.684 1.00 0.00 O ATOM 226 CB VAL A 15 -7.214 -0.062 5.720 1.00 0.00 C ATOM 227 CG1 VAL A 15 -7.696 1.087 4.824 1.00 0.00 C ATOM 228 CG2 VAL A 15 -8.257 -0.292 6.824 1.00 0.00 C ATOM 0 H VAL A 15 -9.006 -1.425 4.548 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.260 -0.967 4.067 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.274 0.184 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.901 1.965 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.924 1.327 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.606 0.787 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.406 0.632 7.382 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.201 -0.600 6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.905 -1.071 7.500 1.00 0.00 H new ATOM 238 N MET A 16 -6.874 -3.374 6.223 1.00 0.00 N ATOM 239 CA MET A 16 -6.270 -4.480 6.960 1.00 0.00 C ATOM 240 C MET A 16 -5.518 -5.364 5.953 1.00 0.00 C ATOM 241 O MET A 16 -4.375 -5.759 6.192 1.00 0.00 O ATOM 242 CB MET A 16 -7.376 -5.248 7.715 1.00 0.00 C ATOM 243 CG MET A 16 -6.847 -6.260 8.733 1.00 0.00 C ATOM 244 SD MET A 16 -6.095 -5.560 10.223 1.00 0.00 S ATOM 245 CE MET A 16 -5.475 -7.097 10.954 1.00 0.00 C ATOM 0 H MET A 16 -7.893 -3.410 6.201 1.00 0.00 H new ATOM 0 HA MET A 16 -5.557 -4.129 7.706 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.015 -4.531 8.230 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.001 -5.770 6.990 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.670 -6.908 9.034 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.109 -6.892 8.239 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.971 -6.875 11.895 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.309 -7.774 11.140 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.771 -7.568 10.268 1.00 0.00 H new ATOM 255 N ALA A 17 -6.150 -5.670 4.811 1.00 0.00 N ATOM 256 CA ALA A 17 -5.555 -6.485 3.759 1.00 0.00 C ATOM 257 C ALA A 17 -4.298 -5.801 3.215 1.00 0.00 C ATOM 258 O ALA A 17 -3.230 -6.409 3.236 1.00 0.00 O ATOM 259 CB ALA A 17 -6.579 -6.752 2.648 1.00 0.00 C ATOM 0 H ALA A 17 -7.095 -5.353 4.596 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.260 -7.449 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.120 -7.362 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.438 -7.280 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.907 -5.805 2.221 1.00 0.00 H new ATOM 265 N VAL A 18 -4.402 -4.529 2.817 1.00 0.00 N ATOM 266 CA VAL A 18 -3.303 -3.738 2.270 1.00 0.00 C ATOM 267 C VAL A 18 -2.148 -3.693 3.270 1.00 0.00 C ATOM 268 O VAL A 18 -1.014 -3.969 2.890 1.00 0.00 O ATOM 269 CB VAL A 18 -3.802 -2.333 1.853 1.00 0.00 C ATOM 270 CG1 VAL A 18 -2.663 -1.411 1.388 1.00 0.00 C ATOM 271 CG2 VAL A 18 -4.818 -2.385 0.698 1.00 0.00 C ATOM 0 H VAL A 18 -5.279 -4.010 2.869 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.922 -4.210 1.364 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.267 -1.939 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.072 -0.440 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.945 -1.283 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.163 -1.856 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.135 -1.373 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.355 -2.848 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.685 -2.971 1.002 1.00 0.00 H new ATOM 281 N THR A 19 -2.400 -3.370 4.541 1.00 0.00 N ATOM 282 CA THR A 19 -1.339 -3.301 5.541 1.00 0.00 C ATOM 283 C THR A 19 -0.610 -4.652 5.643 1.00 0.00 C ATOM 284 O THR A 19 0.612 -4.709 5.475 1.00 0.00 O ATOM 285 CB THR A 19 -1.905 -2.814 6.887 1.00 0.00 C ATOM 286 OG1 THR A 19 -2.629 -1.606 6.715 1.00 0.00 O ATOM 287 CG2 THR A 19 -0.787 -2.549 7.901 1.00 0.00 C ATOM 0 H THR A 19 -3.330 -3.153 4.899 1.00 0.00 H new ATOM 0 HA THR A 19 -0.592 -2.569 5.234 1.00 0.00 H new ATOM 0 HB THR A 19 -2.559 -3.603 7.259 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.575 -1.811 6.562 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.221 -2.207 8.840 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.227 -3.468 8.074 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.116 -1.784 7.511 1.00 0.00 H new ATOM 295 N LYS A 20 -1.338 -5.755 5.859 1.00 0.00 N ATOM 296 CA LYS A 20 -0.734 -7.082 5.980 1.00 0.00 C ATOM 297 C LYS A 20 0.045 -7.479 4.722 1.00 0.00 C ATOM 298 O LYS A 20 1.179 -7.944 4.837 1.00 0.00 O ATOM 299 CB LYS A 20 -1.831 -8.097 6.326 1.00 0.00 C ATOM 300 CG LYS A 20 -1.270 -9.458 6.764 1.00 0.00 C ATOM 301 CD LYS A 20 -2.421 -10.429 7.053 1.00 0.00 C ATOM 302 CE LYS A 20 -1.903 -11.823 7.409 1.00 0.00 C ATOM 303 NZ LYS A 20 -2.950 -12.857 7.292 1.00 0.00 N ATOM 0 H LYS A 20 -2.354 -5.751 5.954 1.00 0.00 H new ATOM 0 HA LYS A 20 0.001 -7.066 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.454 -7.693 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.475 -8.238 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.627 -9.864 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.653 -9.337 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.026 -10.044 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.072 -10.493 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.070 -12.077 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.516 -11.815 8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.552 -13.784 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.734 -12.631 7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.302 -12.885 6.314 1.00 0.00 H new ATOM 317 N ALA A 21 -0.534 -7.304 3.534 1.00 0.00 N ATOM 318 CA ALA A 21 0.092 -7.650 2.263 1.00 0.00 C ATOM 319 C ALA A 21 1.333 -6.793 1.983 1.00 0.00 C ATOM 320 O ALA A 21 2.365 -7.328 1.583 1.00 0.00 O ATOM 321 CB ALA A 21 -0.945 -7.552 1.147 1.00 0.00 C ATOM 0 H ALA A 21 -1.469 -6.910 3.429 1.00 0.00 H new ATOM 0 HA ALA A 21 0.450 -8.678 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.481 -7.810 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.764 -8.242 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.332 -6.534 1.098 1.00 0.00 H new ATOM 327 N LEU A 22 1.294 -5.480 2.221 1.00 0.00 N ATOM 328 CA LEU A 22 2.457 -4.620 1.989 1.00 0.00 C ATOM 329 C LEU A 22 3.592 -5.013 2.938 1.00 0.00 C ATOM 330 O LEU A 22 4.767 -4.980 2.564 1.00 0.00 O ATOM 331 CB LEU A 22 2.110 -3.136 2.208 1.00 0.00 C ATOM 332 CG LEU A 22 1.273 -2.472 1.096 1.00 0.00 C ATOM 333 CD1 LEU A 22 0.983 -1.020 1.503 1.00 0.00 C ATOM 334 CD2 LEU A 22 1.998 -2.466 -0.254 1.00 0.00 C ATOM 0 H LEU A 22 0.472 -4.990 2.573 1.00 0.00 H new ATOM 0 HA LEU A 22 2.769 -4.755 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.568 -3.044 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.039 -2.578 2.320 1.00 0.00 H new ATOM 0 HG LEU A 22 0.355 -3.048 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.391 -0.536 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.429 -1.009 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.923 -0.483 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.367 -1.988 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.934 -1.915 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.209 -3.491 -0.558 1.00 0.00 H new ATOM 346 N LYS A 23 3.268 -5.406 4.174 1.00 0.00 N ATOM 347 CA LYS A 23 4.246 -5.805 5.188 1.00 0.00 C ATOM 348 C LYS A 23 5.043 -7.051 4.796 1.00 0.00 C ATOM 349 O LYS A 23 6.140 -7.246 5.328 1.00 0.00 O ATOM 350 CB LYS A 23 3.494 -5.977 6.519 1.00 0.00 C ATOM 351 CG LYS A 23 4.393 -6.042 7.764 1.00 0.00 C ATOM 352 CD LYS A 23 3.576 -5.942 9.068 1.00 0.00 C ATOM 353 CE LYS A 23 2.746 -4.653 9.220 1.00 0.00 C ATOM 354 NZ LYS A 23 3.563 -3.425 9.137 1.00 0.00 N ATOM 0 H LYS A 23 2.303 -5.456 4.502 1.00 0.00 H new ATOM 0 HA LYS A 23 5.003 -5.027 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.796 -5.148 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.900 -6.890 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.955 -6.976 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.121 -5.232 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.903 -6.798 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.259 -6.018 9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.981 -4.627 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.227 -4.673 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.331 -2.799 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.572 -3.676 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.363 -2.935 8.242 1.00 0.00 H new ATOM 368 N LYS A 24 4.560 -7.856 3.844 1.00 0.00 N ATOM 369 CA LYS A 24 5.213 -9.086 3.400 1.00 0.00 C ATOM 370 C LYS A 24 6.640 -8.915 2.898 1.00 0.00 C ATOM 371 O LYS A 24 7.440 -9.825 3.119 1.00 0.00 O ATOM 372 CB LYS A 24 4.407 -9.754 2.268 1.00 0.00 C ATOM 373 CG LYS A 24 2.964 -10.128 2.626 1.00 0.00 C ATOM 374 CD LYS A 24 2.846 -11.314 3.576 1.00 0.00 C ATOM 375 CE LYS A 24 1.356 -11.584 3.775 1.00 0.00 C ATOM 376 NZ LYS A 24 1.105 -12.714 4.684 1.00 0.00 N ATOM 0 H LYS A 24 3.687 -7.665 3.353 1.00 0.00 H new ATOM 0 HA LYS A 24 5.251 -9.702 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.389 -9.081 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.932 -10.656 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.478 -9.264 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.421 -10.355 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.344 -12.190 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.328 -11.094 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.878 -10.689 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.895 -11.790 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.080 -12.856 4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.537 -13.576 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.520 -12.509 5.615 1.00 0.00 H new ATOM 390 N VAL A 25 6.985 -7.822 2.214 1.00 0.00 N ATOM 391 CA VAL A 25 8.341 -7.656 1.689 1.00 0.00 C ATOM 392 C VAL A 25 9.332 -7.187 2.759 1.00 0.00 C ATOM 393 O VAL A 25 9.107 -6.136 3.367 1.00 0.00 O ATOM 394 CB VAL A 25 8.350 -6.769 0.430 1.00 0.00 C ATOM 395 CG1 VAL A 25 7.581 -7.503 -0.675 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.780 -5.354 0.613 1.00 0.00 C ATOM 0 H VAL A 25 6.353 -7.048 2.013 1.00 0.00 H new ATOM 0 HA VAL A 25 8.692 -8.641 1.382 1.00 0.00 H new ATOM 0 HB VAL A 25 9.397 -6.610 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.573 -6.894 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.066 -8.456 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.556 -7.681 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.834 -4.815 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.741 -5.419 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.361 -4.823 1.367 1.00 0.00 H new ATOM 406 N PRO A 26 10.413 -7.934 3.041 1.00 0.00 N ATOM 407 CA PRO A 26 11.386 -7.511 4.031 1.00 0.00 C ATOM 408 C PRO A 26 12.175 -6.324 3.457 1.00 0.00 C ATOM 409 O PRO A 26 12.749 -6.440 2.373 1.00 0.00 O ATOM 410 CB PRO A 26 12.264 -8.735 4.300 1.00 0.00 C ATOM 411 CG PRO A 26 12.215 -9.504 2.981 1.00 0.00 C ATOM 412 CD PRO A 26 10.822 -9.195 2.433 1.00 0.00 C ATOM 0 HA PRO A 26 10.943 -7.172 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.283 -8.449 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.879 -9.331 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.997 -9.175 2.296 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.356 -10.574 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.841 -9.114 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.121 -9.992 2.681 1.00 0.00 H new ATOM 420 N GLY A 27 12.148 -5.178 4.140 1.00 0.00 N ATOM 421 CA GLY A 27 12.860 -3.971 3.731 1.00 0.00 C ATOM 422 C GLY A 27 12.105 -2.673 4.007 1.00 0.00 C ATOM 423 O GLY A 27 12.724 -1.610 3.969 1.00 0.00 O ATOM 0 H GLY A 27 11.622 -5.063 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.819 -3.937 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.074 -4.033 2.664 1.00 0.00 H new ATOM 427 N VAL A 28 10.798 -2.731 4.291 1.00 0.00 N ATOM 428 CA VAL A 28 9.984 -1.543 4.566 1.00 0.00 C ATOM 429 C VAL A 28 9.556 -1.568 6.031 1.00 0.00 C ATOM 430 O VAL A 28 9.895 -0.663 6.789 1.00 0.00 O ATOM 431 CB VAL A 28 8.794 -1.486 3.579 1.00 0.00 C ATOM 432 CG1 VAL A 28 7.917 -0.242 3.772 1.00 0.00 C ATOM 433 CG2 VAL A 28 9.261 -1.502 2.117 1.00 0.00 C ATOM 0 H VAL A 28 10.275 -3.606 4.336 1.00 0.00 H new ATOM 0 HA VAL A 28 10.556 -0.629 4.411 1.00 0.00 H new ATOM 0 HB VAL A 28 8.208 -2.378 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.099 -0.258 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.510 -0.237 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.518 0.654 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.394 -1.461 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.901 -0.639 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.820 -2.417 1.924 1.00 0.00 H new ATOM 443 N GLU A 29 8.875 -2.630 6.469 1.00 0.00 N ATOM 444 CA GLU A 29 8.377 -2.862 7.821 1.00 0.00 C ATOM 445 C GLU A 29 7.321 -1.855 8.314 1.00 0.00 C ATOM 446 O GLU A 29 6.426 -2.282 9.042 1.00 0.00 O ATOM 447 CB GLU A 29 9.566 -3.044 8.782 1.00 0.00 C ATOM 448 CG GLU A 29 9.157 -3.320 10.232 1.00 0.00 C ATOM 449 CD GLU A 29 10.390 -3.542 11.097 1.00 0.00 C ATOM 450 OE1 GLU A 29 11.156 -2.569 11.286 1.00 0.00 O ATOM 451 OE2 GLU A 29 10.624 -4.691 11.533 1.00 0.00 O ATOM 0 H GLU A 29 8.643 -3.401 5.843 1.00 0.00 H new ATOM 0 HA GLU A 29 7.805 -3.790 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.185 -3.868 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.184 -2.146 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.579 -2.481 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.512 -4.198 10.274 1.00 0.00 H new ATOM 458 N LYS A 30 7.313 -0.581 7.900 1.00 0.00 N ATOM 459 CA LYS A 30 6.330 0.410 8.355 1.00 0.00 C ATOM 460 C LYS A 30 5.637 1.115 7.197 1.00 0.00 C ATOM 461 O LYS A 30 6.276 1.697 6.315 1.00 0.00 O ATOM 462 CB LYS A 30 6.944 1.411 9.348 1.00 0.00 C ATOM 463 CG LYS A 30 8.238 2.100 8.875 1.00 0.00 C ATOM 464 CD LYS A 30 9.475 1.838 9.736 1.00 0.00 C ATOM 465 CE LYS A 30 9.708 0.352 9.997 1.00 0.00 C ATOM 466 NZ LYS A 30 10.951 0.133 10.751 1.00 0.00 N ATOM 0 H LYS A 30 7.992 -0.207 7.237 1.00 0.00 H new ATOM 0 HA LYS A 30 5.557 -0.143 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.203 2.179 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.151 0.890 10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.450 1.776 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.064 3.175 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.352 2.258 9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.366 2.357 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.865 -0.059 10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.756 -0.183 9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.083 -0.886 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.756 0.504 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.894 0.625 11.665 1.00 0.00 H new ATOM 480 N VAL A 31 4.311 1.015 7.195 1.00 0.00 N ATOM 481 CA VAL A 31 3.428 1.610 6.205 1.00 0.00 C ATOM 482 C VAL A 31 2.194 2.121 6.941 1.00 0.00 C ATOM 483 O VAL A 31 1.769 1.500 7.921 1.00 0.00 O ATOM 484 CB VAL A 31 3.057 0.608 5.084 1.00 0.00 C ATOM 485 CG1 VAL A 31 4.309 0.063 4.384 1.00 0.00 C ATOM 486 CG2 VAL A 31 2.199 -0.587 5.530 1.00 0.00 C ATOM 0 H VAL A 31 3.805 0.496 7.913 1.00 0.00 H new ATOM 0 HA VAL A 31 3.933 2.435 5.702 1.00 0.00 H new ATOM 0 HB VAL A 31 2.449 1.202 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.013 -0.637 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.866 0.888 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.939 -0.450 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.994 -1.228 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.735 -1.157 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.258 -0.225 5.945 1.00 0.00 H new ATOM 496 N GLU A 32 1.627 3.242 6.510 1.00 0.00 N ATOM 497 CA GLU A 32 0.433 3.818 7.106 1.00 0.00 C ATOM 498 C GLU A 32 -0.567 3.951 5.971 1.00 0.00 C ATOM 499 O GLU A 32 -0.266 4.639 4.999 1.00 0.00 O ATOM 500 CB GLU A 32 0.749 5.171 7.766 1.00 0.00 C ATOM 501 CG GLU A 32 -0.460 5.677 8.560 1.00 0.00 C ATOM 502 CD GLU A 32 -0.908 4.632 9.579 1.00 0.00 C ATOM 503 OE1 GLU A 32 -0.192 4.464 10.594 1.00 0.00 O ATOM 504 OE2 GLU A 32 -1.902 3.924 9.320 1.00 0.00 O ATOM 0 H GLU A 32 1.991 3.782 5.725 1.00 0.00 H new ATOM 0 HA GLU A 32 0.030 3.193 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.609 5.067 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.021 5.900 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.204 6.605 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.280 5.904 7.879 1.00 0.00 H new ATOM 511 N VAL A 33 -1.712 3.276 6.066 1.00 0.00 N ATOM 512 CA VAL A 33 -2.752 3.282 5.045 1.00 0.00 C ATOM 513 C VAL A 33 -3.929 4.105 5.561 1.00 0.00 C ATOM 514 O VAL A 33 -4.531 3.748 6.580 1.00 0.00 O ATOM 515 CB VAL A 33 -3.163 1.831 4.695 1.00 0.00 C ATOM 516 CG1 VAL A 33 -4.061 1.811 3.447 1.00 0.00 C ATOM 517 CG2 VAL A 33 -1.959 0.905 4.436 1.00 0.00 C ATOM 0 H VAL A 33 -1.945 2.698 6.874 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.386 3.737 4.125 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.699 1.457 5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.340 0.783 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.960 2.397 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.520 2.239 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.315 -0.097 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.375 1.292 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.333 0.864 5.328 1.00 0.00 H new ATOM 527 N SER A 34 -4.233 5.220 4.901 1.00 0.00 N ATOM 528 CA SER A 34 -5.345 6.077 5.285 1.00 0.00 C ATOM 529 C SER A 34 -6.552 5.627 4.471 1.00 0.00 C ATOM 530 O SER A 34 -6.521 5.739 3.247 1.00 0.00 O ATOM 531 CB SER A 34 -4.999 7.534 4.982 1.00 0.00 C ATOM 532 OG SER A 34 -3.759 7.866 5.576 1.00 0.00 O ATOM 0 H SER A 34 -3.715 5.552 4.087 1.00 0.00 H new ATOM 0 HA SER A 34 -5.557 6.003 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.949 7.689 3.904 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.782 8.190 5.362 1.00 0.00 H new ATOM 0 HG SER A 34 -3.541 8.801 5.377 1.00 0.00 H new ATOM 538 N LEU A 35 -7.618 5.162 5.127 1.00 0.00 N ATOM 539 CA LEU A 35 -8.822 4.690 4.438 1.00 0.00 C ATOM 540 C LEU A 35 -9.494 5.820 3.665 1.00 0.00 C ATOM 541 O LEU A 35 -9.876 5.634 2.517 1.00 0.00 O ATOM 542 CB LEU A 35 -9.802 4.079 5.459 1.00 0.00 C ATOM 543 CG LEU A 35 -10.909 3.181 4.856 1.00 0.00 C ATOM 544 CD1 LEU A 35 -11.497 2.304 5.966 1.00 0.00 C ATOM 545 CD2 LEU A 35 -12.086 3.926 4.208 1.00 0.00 C ATOM 0 H LEU A 35 -7.671 5.102 6.144 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.529 3.924 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.232 3.491 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.276 4.889 6.013 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.413 2.618 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.278 1.667 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.711 1.682 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.921 2.938 6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.803 3.204 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.573 4.555 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.718 4.549 3.393 1.00 0.00 H new ATOM 557 N GLU A 36 -9.625 6.989 4.300 1.00 0.00 N ATOM 558 CA GLU A 36 -10.272 8.159 3.715 1.00 0.00 C ATOM 559 C GLU A 36 -9.634 8.543 2.380 1.00 0.00 C ATOM 560 O GLU A 36 -10.313 8.539 1.351 1.00 0.00 O ATOM 561 CB GLU A 36 -10.238 9.323 4.726 1.00 0.00 C ATOM 562 CG GLU A 36 -10.986 8.961 6.017 1.00 0.00 C ATOM 563 CD GLU A 36 -11.135 10.143 6.975 1.00 0.00 C ATOM 564 OE1 GLU A 36 -10.115 10.780 7.331 1.00 0.00 O ATOM 565 OE2 GLU A 36 -12.269 10.371 7.452 1.00 0.00 O ATOM 0 H GLU A 36 -9.279 7.147 5.246 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.313 7.918 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.204 9.574 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.688 10.210 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.975 8.581 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.455 8.155 6.524 1.00 0.00 H new ATOM 572 N LYS A 37 -8.325 8.820 2.378 1.00 0.00 N ATOM 573 CA LYS A 37 -7.628 9.203 1.155 1.00 0.00 C ATOM 574 C LYS A 37 -7.490 8.020 0.205 1.00 0.00 C ATOM 575 O LYS A 37 -7.790 8.153 -0.982 1.00 0.00 O ATOM 576 CB LYS A 37 -6.228 9.772 1.452 1.00 0.00 C ATOM 577 CG LYS A 37 -6.278 11.171 2.078 1.00 0.00 C ATOM 578 CD LYS A 37 -4.892 11.821 2.220 1.00 0.00 C ATOM 579 CE LYS A 37 -3.990 11.071 3.209 1.00 0.00 C ATOM 580 NZ LYS A 37 -2.740 11.806 3.492 1.00 0.00 N ATOM 0 H LYS A 37 -7.733 8.785 3.208 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.232 9.978 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.701 9.096 2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.653 9.813 0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.912 11.813 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.744 11.106 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.408 11.853 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.010 12.853 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.532 10.907 4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.748 10.088 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.162 11.262 4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.209 11.940 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.968 12.734 3.903 1.00 0.00 H new ATOM 594 N GLY A 38 -7.006 6.893 0.720 1.00 0.00 N ATOM 595 CA GLY A 38 -6.747 5.668 -0.016 1.00 0.00 C ATOM 596 C GLY A 38 -5.242 5.544 -0.299 1.00 0.00 C ATOM 597 O GLY A 38 -4.821 4.609 -0.973 1.00 0.00 O ATOM 0 H GLY A 38 -6.774 6.810 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.091 4.808 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.304 5.670 -0.953 1.00 0.00 H new ATOM 601 N GLU A 39 -4.426 6.488 0.186 1.00 0.00 N ATOM 602 CA GLU A 39 -2.979 6.527 0.003 1.00 0.00 C ATOM 603 C GLU A 39 -2.281 5.807 1.156 1.00 0.00 C ATOM 604 O GLU A 39 -2.799 5.779 2.282 1.00 0.00 O ATOM 605 CB GLU A 39 -2.527 8.002 -0.090 1.00 0.00 C ATOM 606 CG GLU A 39 -1.600 8.276 -1.281 1.00 0.00 C ATOM 607 CD GLU A 39 -0.117 8.387 -0.939 1.00 0.00 C ATOM 608 OE1 GLU A 39 0.493 7.365 -0.572 1.00 0.00 O ATOM 609 OE2 GLU A 39 0.447 9.482 -1.195 1.00 0.00 O ATOM 0 H GLU A 39 -4.774 7.273 0.737 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.706 6.014 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.407 8.641 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.014 8.277 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.729 7.478 -2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.916 9.202 -1.761 1.00 0.00 H new ATOM 616 N ALA A 40 -1.100 5.255 0.877 1.00 0.00 N ATOM 617 CA ALA A 40 -0.278 4.529 1.817 1.00 0.00 C ATOM 618 C ALA A 40 1.133 5.118 1.833 1.00 0.00 C ATOM 619 O ALA A 40 1.878 5.033 0.851 1.00 0.00 O ATOM 620 CB ALA A 40 -0.269 3.036 1.471 1.00 0.00 C ATOM 0 H ALA A 40 -0.682 5.310 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.694 4.629 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.354 2.500 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.286 2.647 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.132 2.898 0.467 1.00 0.00 H new ATOM 626 N LEU A 41 1.490 5.698 2.979 1.00 0.00 N ATOM 627 CA LEU A 41 2.781 6.315 3.244 1.00 0.00 C ATOM 628 C LEU A 41 3.705 5.171 3.629 1.00 0.00 C ATOM 629 O LEU A 41 3.488 4.555 4.680 1.00 0.00 O ATOM 630 CB LEU A 41 2.682 7.321 4.403 1.00 0.00 C ATOM 631 CG LEU A 41 1.667 8.462 4.207 1.00 0.00 C ATOM 632 CD1 LEU A 41 1.677 9.344 5.458 1.00 0.00 C ATOM 633 CD2 LEU A 41 1.953 9.307 2.962 1.00 0.00 C ATOM 0 H LEU A 41 0.858 5.751 3.778 1.00 0.00 H new ATOM 0 HA LEU A 41 3.143 6.865 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.420 6.778 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.667 7.759 4.566 1.00 0.00 H new ATOM 0 HG LEU A 41 0.684 8.016 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.963 10.158 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.400 8.746 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.675 9.757 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.205 10.095 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.943 9.755 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.915 8.674 2.076 1.00 0.00 H new ATOM 645 N VAL A 42 4.712 4.872 2.812 1.00 0.00 N ATOM 646 CA VAL A 42 5.636 3.777 3.070 1.00 0.00 C ATOM 647 C VAL A 42 7.025 4.316 3.436 1.00 0.00 C ATOM 648 O VAL A 42 7.539 5.241 2.796 1.00 0.00 O ATOM 649 CB VAL A 42 5.572 2.775 1.893 1.00 0.00 C ATOM 650 CG1 VAL A 42 4.133 2.247 1.706 1.00 0.00 C ATOM 651 CG2 VAL A 42 5.998 3.339 0.534 1.00 0.00 C ATOM 0 H VAL A 42 4.908 5.384 1.952 1.00 0.00 H new ATOM 0 HA VAL A 42 5.347 3.203 3.951 1.00 0.00 H new ATOM 0 HB VAL A 42 6.279 1.997 2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.109 1.544 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.809 1.743 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.464 3.081 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.918 2.560 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.350 4.173 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.030 3.685 0.591 1.00 0.00 H new ATOM 661 N GLU A 43 7.608 3.780 4.514 1.00 0.00 N ATOM 662 CA GLU A 43 8.922 4.163 5.012 1.00 0.00 C ATOM 663 C GLU A 43 9.867 2.984 4.780 1.00 0.00 C ATOM 664 O GLU A 43 9.807 1.984 5.493 1.00 0.00 O ATOM 665 CB GLU A 43 8.842 4.538 6.504 1.00 0.00 C ATOM 666 CG GLU A 43 8.884 6.044 6.780 1.00 0.00 C ATOM 667 CD GLU A 43 7.572 6.761 6.467 1.00 0.00 C ATOM 668 OE1 GLU A 43 6.608 6.602 7.253 1.00 0.00 O ATOM 669 OE2 GLU A 43 7.544 7.558 5.504 1.00 0.00 O ATOM 0 H GLU A 43 7.164 3.051 5.073 1.00 0.00 H new ATOM 0 HA GLU A 43 9.295 5.041 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.921 4.130 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.668 4.061 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.135 6.206 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.683 6.491 6.188 1.00 0.00 H new ATOM 676 N GLY A 44 10.748 3.100 3.789 1.00 0.00 N ATOM 677 CA GLY A 44 11.716 2.077 3.441 1.00 0.00 C ATOM 678 C GLY A 44 12.332 2.389 2.084 1.00 0.00 C ATOM 679 O GLY A 44 11.723 3.084 1.267 1.00 0.00 O ATOM 0 H GLY A 44 10.805 3.928 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.495 2.027 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.233 1.100 3.415 1.00 0.00 H new ATOM 683 N THR A 45 13.508 1.827 1.831 1.00 0.00 N ATOM 684 CA THR A 45 14.282 1.994 0.610 1.00 0.00 C ATOM 685 C THR A 45 13.845 1.028 -0.511 1.00 0.00 C ATOM 686 O THR A 45 14.245 1.232 -1.658 1.00 0.00 O ATOM 687 CB THR A 45 15.771 1.830 1.009 1.00 0.00 C ATOM 688 OG1 THR A 45 16.627 2.578 0.166 1.00 0.00 O ATOM 689 CG2 THR A 45 16.247 0.371 1.051 1.00 0.00 C ATOM 0 H THR A 45 13.968 1.214 2.504 1.00 0.00 H new ATOM 0 HA THR A 45 14.113 2.981 0.179 1.00 0.00 H new ATOM 0 HB THR A 45 15.827 2.219 2.026 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.557 2.451 0.449 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.298 0.339 1.338 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.655 -0.184 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.126 -0.080 0.066 1.00 0.00 H new ATOM 697 N ALA A 46 13.024 0.009 -0.207 1.00 0.00 N ATOM 698 CA ALA A 46 12.558 -0.999 -1.160 1.00 0.00 C ATOM 699 C ALA A 46 11.924 -0.420 -2.431 1.00 0.00 C ATOM 700 O ALA A 46 11.366 0.682 -2.433 1.00 0.00 O ATOM 701 CB ALA A 46 11.589 -1.964 -0.473 1.00 0.00 C ATOM 0 H ALA A 46 12.659 -0.136 0.735 1.00 0.00 H new ATOM 0 HA ALA A 46 13.449 -1.532 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.248 -2.710 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.096 -2.461 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.732 -1.409 -0.092 1.00 0.00 H new ATOM 707 N ASP A 47 11.963 -1.216 -3.499 1.00 0.00 N ATOM 708 CA ASP A 47 11.444 -0.883 -4.822 1.00 0.00 C ATOM 709 C ASP A 47 9.914 -0.845 -4.828 1.00 0.00 C ATOM 710 O ASP A 47 9.281 -1.782 -4.337 1.00 0.00 O ATOM 711 CB ASP A 47 11.852 -1.926 -5.874 1.00 0.00 C ATOM 712 CG ASP A 47 13.335 -2.256 -5.912 1.00 0.00 C ATOM 713 OD1 ASP A 47 13.792 -3.017 -5.026 1.00 0.00 O ATOM 714 OD2 ASP A 47 14.028 -1.888 -6.885 1.00 0.00 O ATOM 0 H ASP A 47 12.374 -2.149 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 47 11.863 0.094 -5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.296 -2.845 -5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.550 -1.565 -6.857 1.00 0.00 H new ATOM 719 N PRO A 48 9.278 0.153 -5.463 1.00 0.00 N ATOM 720 CA PRO A 48 7.826 0.243 -5.519 1.00 0.00 C ATOM 721 C PRO A 48 7.200 -0.866 -6.365 1.00 0.00 C ATOM 722 O PRO A 48 6.054 -1.236 -6.125 1.00 0.00 O ATOM 723 CB PRO A 48 7.517 1.621 -6.090 1.00 0.00 C ATOM 724 CG PRO A 48 8.771 1.986 -6.876 1.00 0.00 C ATOM 725 CD PRO A 48 9.886 1.304 -6.094 1.00 0.00 C ATOM 0 HA PRO A 48 7.396 0.112 -4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.636 1.598 -6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.317 2.345 -5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.721 1.625 -7.903 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.916 3.065 -6.924 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.700 1.004 -6.754 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.311 1.978 -5.351 1.00 0.00 H new ATOM 733 N LYS A 49 7.929 -1.438 -7.330 1.00 0.00 N ATOM 734 CA LYS A 49 7.429 -2.521 -8.179 1.00 0.00 C ATOM 735 C LYS A 49 6.939 -3.697 -7.326 1.00 0.00 C ATOM 736 O LYS A 49 5.959 -4.359 -7.682 1.00 0.00 O ATOM 737 CB LYS A 49 8.494 -2.904 -9.230 1.00 0.00 C ATOM 738 CG LYS A 49 9.861 -3.377 -8.683 1.00 0.00 C ATOM 739 CD LYS A 49 10.042 -4.896 -8.541 1.00 0.00 C ATOM 740 CE LYS A 49 10.258 -5.620 -9.880 1.00 0.00 C ATOM 741 NZ LYS A 49 11.634 -5.458 -10.393 1.00 0.00 N ATOM 0 H LYS A 49 8.887 -1.160 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 49 6.556 -2.183 -8.738 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.085 -3.695 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.664 -2.041 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.644 -2.998 -9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.017 -2.920 -7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.894 -5.092 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.163 -5.313 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.043 -6.681 -9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.551 -5.236 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.729 -5.964 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.833 -4.448 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.309 -5.848 -9.705 1.00 0.00 H new ATOM 755 N ALA A 50 7.610 -3.948 -6.197 1.00 0.00 N ATOM 756 CA ALA A 50 7.258 -5.017 -5.281 1.00 0.00 C ATOM 757 C ALA A 50 5.940 -4.700 -4.573 1.00 0.00 C ATOM 758 O ALA A 50 5.145 -5.602 -4.318 1.00 0.00 O ATOM 759 CB ALA A 50 8.386 -5.199 -4.264 1.00 0.00 C ATOM 0 H ALA A 50 8.420 -3.404 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 50 7.125 -5.944 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.127 -6.001 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.309 -5.453 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.527 -4.272 -3.708 1.00 0.00 H new ATOM 765 N LEU A 51 5.709 -3.430 -4.230 1.00 0.00 N ATOM 766 CA LEU A 51 4.492 -2.983 -3.563 1.00 0.00 C ATOM 767 C LEU A 51 3.336 -3.053 -4.555 1.00 0.00 C ATOM 768 O LEU A 51 2.276 -3.569 -4.223 1.00 0.00 O ATOM 769 CB LEU A 51 4.653 -1.577 -2.971 1.00 0.00 C ATOM 770 CG LEU A 51 5.454 -1.542 -1.651 1.00 0.00 C ATOM 771 CD1 LEU A 51 6.964 -1.732 -1.835 1.00 0.00 C ATOM 772 CD2 LEU A 51 5.206 -0.194 -0.967 1.00 0.00 C ATOM 0 H LEU A 51 6.373 -2.677 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 51 4.280 -3.641 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.150 -0.940 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.665 -1.152 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 51 5.106 -2.380 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.456 -1.695 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.155 -2.698 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.356 -0.938 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.765 -0.152 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.535 0.613 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.142 -0.082 -0.759 1.00 0.00 H new ATOM 784 N VAL A 52 3.540 -2.568 -5.782 1.00 0.00 N ATOM 785 CA VAL A 52 2.535 -2.592 -6.842 1.00 0.00 C ATOM 786 C VAL A 52 2.075 -4.048 -7.022 1.00 0.00 C ATOM 787 O VAL A 52 0.865 -4.305 -7.042 1.00 0.00 O ATOM 788 CB VAL A 52 3.127 -1.925 -8.100 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.278 -2.127 -9.353 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.284 -0.410 -7.887 1.00 0.00 C ATOM 0 H VAL A 52 4.421 -2.142 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 52 1.641 -2.016 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 52 4.092 -2.409 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.754 -1.631 -10.199 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.186 -3.193 -9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.287 -1.701 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.703 0.042 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.309 0.031 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.951 -0.228 -7.044 1.00 0.00 H new ATOM 800 N GLN A 53 3.027 -4.993 -7.105 1.00 0.00 N ATOM 801 CA GLN A 53 2.682 -6.402 -7.233 1.00 0.00 C ATOM 802 C GLN A 53 1.904 -6.851 -5.993 1.00 0.00 C ATOM 803 O GLN A 53 0.830 -7.415 -6.162 1.00 0.00 O ATOM 804 CB GLN A 53 3.934 -7.264 -7.429 1.00 0.00 C ATOM 805 CG GLN A 53 4.496 -7.204 -8.853 1.00 0.00 C ATOM 806 CD GLN A 53 3.715 -8.055 -9.852 1.00 0.00 C ATOM 807 OE1 GLN A 53 4.030 -9.225 -10.052 1.00 0.00 O ATOM 808 NE2 GLN A 53 2.697 -7.529 -10.508 1.00 0.00 N ATOM 0 H GLN A 53 4.029 -4.801 -7.085 1.00 0.00 H new ATOM 0 HA GLN A 53 2.056 -6.530 -8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.703 -6.939 -6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.696 -8.299 -7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.496 -6.168 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.535 -7.535 -8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.432 -6.558 -10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.175 -8.094 -11.178 1.00 0.00 H new ATOM 817 N ALA A 54 2.376 -6.564 -4.771 1.00 0.00 N ATOM 818 CA ALA A 54 1.684 -6.958 -3.540 1.00 0.00 C ATOM 819 C ALA A 54 0.263 -6.389 -3.438 1.00 0.00 C ATOM 820 O ALA A 54 -0.569 -6.965 -2.736 1.00 0.00 O ATOM 821 CB ALA A 54 2.510 -6.579 -2.312 1.00 0.00 C ATOM 0 H ALA A 54 3.245 -6.054 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 54 1.578 -8.042 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.979 -6.880 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.474 -7.086 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.667 -5.500 -2.298 1.00 0.00 H new ATOM 827 N VAL A 55 -0.044 -5.266 -4.090 1.00 0.00 N ATOM 828 CA VAL A 55 -1.394 -4.706 -4.069 1.00 0.00 C ATOM 829 C VAL A 55 -2.220 -5.476 -5.117 1.00 0.00 C ATOM 830 O VAL A 55 -3.392 -5.773 -4.873 1.00 0.00 O ATOM 831 CB VAL A 55 -1.335 -3.180 -4.253 1.00 0.00 C ATOM 832 CG1 VAL A 55 -2.721 -2.549 -4.389 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.698 -2.510 -3.027 1.00 0.00 C ATOM 0 H VAL A 55 0.626 -4.727 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.896 -4.835 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.754 -3.023 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.619 -1.471 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.229 -2.971 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.304 -2.755 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.666 -1.431 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.291 -2.735 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.315 -2.888 -2.891 1.00 0.00 H new ATOM 843 N GLU A 56 -1.630 -5.824 -6.271 1.00 0.00 N ATOM 844 CA GLU A 56 -2.317 -6.589 -7.316 1.00 0.00 C ATOM 845 C GLU A 56 -2.654 -7.986 -6.772 1.00 0.00 C ATOM 846 O GLU A 56 -3.741 -8.498 -7.029 1.00 0.00 O ATOM 847 CB GLU A 56 -1.432 -6.694 -8.569 1.00 0.00 C ATOM 848 CG GLU A 56 -2.205 -6.603 -9.894 1.00 0.00 C ATOM 849 CD GLU A 56 -3.281 -7.669 -10.130 1.00 0.00 C ATOM 850 OE1 GLU A 56 -3.010 -8.882 -9.971 1.00 0.00 O ATOM 851 OE2 GLU A 56 -4.382 -7.298 -10.605 1.00 0.00 O ATOM 0 H GLU A 56 -0.666 -5.583 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.239 -6.080 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.686 -5.900 -8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.892 -7.640 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.678 -5.622 -9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.487 -6.655 -10.713 1.00 0.00 H new ATOM 858 N GLU A 57 -1.772 -8.557 -5.942 1.00 0.00 N ATOM 859 CA GLU A 57 -1.891 -9.866 -5.296 1.00 0.00 C ATOM 860 C GLU A 57 -3.147 -9.976 -4.432 1.00 0.00 C ATOM 861 O GLU A 57 -3.548 -11.077 -4.053 1.00 0.00 O ATOM 862 CB GLU A 57 -0.671 -10.103 -4.387 1.00 0.00 C ATOM 863 CG GLU A 57 0.566 -10.610 -5.129 1.00 0.00 C ATOM 864 CD GLU A 57 0.334 -11.974 -5.773 1.00 0.00 C ATOM 865 OE1 GLU A 57 -0.336 -12.829 -5.154 1.00 0.00 O ATOM 866 OE2 GLU A 57 0.866 -12.198 -6.884 1.00 0.00 O ATOM 0 H GLU A 57 -0.903 -8.086 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.949 -10.609 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.422 -9.171 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.940 -10.824 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.847 -9.890 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.403 -10.676 -4.434 1.00 0.00 H new ATOM 873 N GLU A 58 -3.789 -8.855 -4.121 1.00 0.00 N ATOM 874 CA GLU A 58 -4.987 -8.785 -3.310 1.00 0.00 C ATOM 875 C GLU A 58 -6.182 -8.262 -4.124 1.00 0.00 C ATOM 876 O GLU A 58 -7.284 -8.189 -3.589 1.00 0.00 O ATOM 877 CB GLU A 58 -4.661 -7.959 -2.062 1.00 0.00 C ATOM 878 CG GLU A 58 -3.581 -8.587 -1.157 1.00 0.00 C ATOM 879 CD GLU A 58 -3.966 -9.949 -0.566 1.00 0.00 C ATOM 880 OE1 GLU A 58 -5.176 -10.214 -0.367 1.00 0.00 O ATOM 881 OE2 GLU A 58 -3.068 -10.745 -0.199 1.00 0.00 O ATOM 0 H GLU A 58 -3.473 -7.940 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.300 -9.776 -2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.329 -6.968 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.573 -7.823 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.662 -8.701 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.363 -7.899 -0.341 1.00 0.00 H new ATOM 888 N GLY A 59 -5.998 -7.921 -5.402 1.00 0.00 N ATOM 889 CA GLY A 59 -7.052 -7.440 -6.285 1.00 0.00 C ATOM 890 C GLY A 59 -7.360 -5.954 -6.131 1.00 0.00 C ATOM 891 O GLY A 59 -8.536 -5.577 -6.122 1.00 0.00 O ATOM 0 H GLY A 59 -5.087 -7.975 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.764 -7.636 -7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.961 -8.011 -6.094 1.00 0.00 H new ATOM 895 N TYR A 60 -6.338 -5.103 -6.002 1.00 0.00 N ATOM 896 CA TYR A 60 -6.507 -3.658 -5.864 1.00 0.00 C ATOM 897 C TYR A 60 -5.562 -2.937 -6.825 1.00 0.00 C ATOM 898 O TYR A 60 -4.595 -3.527 -7.324 1.00 0.00 O ATOM 899 CB TYR A 60 -6.277 -3.238 -4.405 1.00 0.00 C ATOM 900 CG TYR A 60 -7.223 -3.903 -3.425 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.575 -3.525 -3.392 1.00 0.00 C ATOM 902 CD2 TYR A 60 -6.771 -4.957 -2.613 1.00 0.00 C ATOM 903 CE1 TYR A 60 -9.485 -4.230 -2.586 1.00 0.00 C ATOM 904 CE2 TYR A 60 -7.672 -5.653 -1.785 1.00 0.00 C ATOM 905 CZ TYR A 60 -9.043 -5.311 -1.796 1.00 0.00 C ATOM 906 OH TYR A 60 -9.946 -6.057 -1.104 1.00 0.00 O ATOM 0 H TYR A 60 -5.363 -5.403 -5.991 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.527 -3.377 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.251 -3.476 -4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.386 -2.156 -4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.916 -2.691 -3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.727 -5.234 -2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.526 -3.943 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.317 -6.446 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.343 -5.513 -0.392 1.00 0.00 H new ATOM 916 N LYS A 61 -5.854 -1.667 -7.110 1.00 0.00 N ATOM 917 CA LYS A 61 -5.049 -0.836 -8.001 1.00 0.00 C ATOM 918 C LYS A 61 -4.003 -0.108 -7.168 1.00 0.00 C ATOM 919 O LYS A 61 -4.316 0.296 -6.051 1.00 0.00 O ATOM 920 CB LYS A 61 -5.991 0.146 -8.712 1.00 0.00 C ATOM 921 CG LYS A 61 -5.261 1.185 -9.569 1.00 0.00 C ATOM 922 CD LYS A 61 -6.135 1.651 -10.741 1.00 0.00 C ATOM 923 CE LYS A 61 -5.493 2.839 -11.462 1.00 0.00 C ATOM 924 NZ LYS A 61 -4.159 2.532 -12.020 1.00 0.00 N ATOM 0 H LYS A 61 -6.665 -1.183 -6.724 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.531 -1.431 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.678 -0.416 -9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.595 0.662 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.988 2.042 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.333 0.758 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.278 0.829 -11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.122 1.933 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.150 3.164 -12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.405 3.673 -10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.823 3.341 -12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.492 2.347 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.223 1.691 -12.629 1.00 0.00 H new ATOM 938 N ALA A 62 -2.805 0.115 -7.713 1.00 0.00 N ATOM 939 CA ALA A 62 -1.705 0.808 -7.053 1.00 0.00 C ATOM 940 C ALA A 62 -1.089 1.823 -8.013 1.00 0.00 C ATOM 941 O ALA A 62 -0.927 1.516 -9.196 1.00 0.00 O ATOM 942 CB ALA A 62 -0.630 -0.200 -6.645 1.00 0.00 C ATOM 0 H ALA A 62 -2.570 -0.193 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.087 1.318 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.190 0.322 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.058 -0.931 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.254 -0.710 -7.532 1.00 0.00 H new ATOM 948 N GLU A 63 -0.664 2.979 -7.503 1.00 0.00 N ATOM 949 CA GLU A 63 -0.047 4.052 -8.271 1.00 0.00 C ATOM 950 C GLU A 63 1.101 4.647 -7.447 1.00 0.00 C ATOM 951 O GLU A 63 0.911 5.075 -6.304 1.00 0.00 O ATOM 952 CB GLU A 63 -1.114 5.090 -8.656 1.00 0.00 C ATOM 953 CG GLU A 63 -0.589 6.135 -9.652 1.00 0.00 C ATOM 954 CD GLU A 63 -0.278 5.594 -11.051 1.00 0.00 C ATOM 955 OE1 GLU A 63 -0.394 4.376 -11.306 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.123 6.395 -11.926 1.00 0.00 O ATOM 0 H GLU A 63 -0.744 3.198 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 63 0.375 3.678 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.973 4.579 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.465 5.595 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.327 6.932 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.316 6.583 -9.242 1.00 0.00 H new ATOM 963 N VAL A 64 2.313 4.619 -7.995 1.00 0.00 N ATOM 964 CA VAL A 64 3.540 5.113 -7.378 1.00 0.00 C ATOM 965 C VAL A 64 3.743 6.590 -7.726 1.00 0.00 C ATOM 966 O VAL A 64 3.663 6.943 -8.904 1.00 0.00 O ATOM 967 CB VAL A 64 4.745 4.298 -7.907 1.00 0.00 C ATOM 968 CG1 VAL A 64 5.982 4.556 -7.037 1.00 0.00 C ATOM 969 CG2 VAL A 64 4.488 2.782 -7.975 1.00 0.00 C ATOM 0 H VAL A 64 2.473 4.233 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 64 3.463 5.004 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 64 4.909 4.641 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.823 3.977 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.230 5.617 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.773 4.257 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.377 2.279 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.257 2.407 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.648 2.585 -8.640 1.00 0.00 H new ATOM 979 N LEU A 65 4.017 7.425 -6.717 1.00 0.00 N ATOM 980 CA LEU A 65 4.268 8.861 -6.838 1.00 0.00 C ATOM 981 C LEU A 65 5.502 9.183 -5.997 1.00 0.00 C ATOM 982 O LEU A 65 5.535 8.847 -4.804 1.00 0.00 O ATOM 983 CB LEU A 65 3.093 9.716 -6.313 1.00 0.00 C ATOM 984 CG LEU A 65 1.923 10.041 -7.259 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.387 10.829 -8.481 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.082 8.853 -7.720 1.00 0.00 C ATOM 0 H LEU A 65 4.072 7.101 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 65 4.403 9.097 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.680 9.207 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.506 10.662 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 65 1.266 10.646 -6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.533 11.039 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.838 11.768 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.122 10.244 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.289 9.203 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.715 8.145 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.641 8.361 -6.853 1.00 0.00 H new ATOM 998 N ALA A 66 6.491 9.829 -6.619 1.00 0.00 N ATOM 999 CA ALA A 66 7.747 10.258 -6.012 1.00 0.00 C ATOM 1000 C ALA A 66 7.470 11.162 -4.823 1.00 0.00 C ATOM 1001 O ALA A 66 8.126 10.983 -3.776 1.00 0.00 O ATOM 1002 CB ALA A 66 8.576 11.035 -7.042 1.00 0.00 C ATOM 0 H ALA A 66 6.432 10.078 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 66 8.295 9.377 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.514 11.355 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.788 10.393 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.017 11.910 -7.374 1.00 0.00 H new TER 1008 ALA A 66