USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0325 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= -0.177 (180deg=-0.388) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00479 USER MOD Single : A 11 CYS SG : rot -150:sc= 0.668 USER MOD Single : A 12 ASN : amide:sc=-0.00932 X(o=-0.0093,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 169:sc= -0.0348 (180deg=-0.283) USER MOD Single : A 19 THR OG1 : rot -89:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ -140:sc=4.87e-05 (180deg=-0.0151) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 2.15 (180deg=1.55) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 170:sc= 0.256 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0495 (180deg=-0.336) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.028 9.123 2.038 1.00 0.00 N ATOM 2 CA MET A 1 9.623 8.711 2.132 1.00 0.00 C ATOM 3 C MET A 1 9.061 8.580 0.722 1.00 0.00 C ATOM 4 O MET A 1 9.294 9.465 -0.102 1.00 0.00 O ATOM 5 CB MET A 1 8.835 9.718 2.978 1.00 0.00 C ATOM 6 CG MET A 1 8.992 9.394 4.465 1.00 0.00 C ATOM 7 SD MET A 1 7.760 10.160 5.546 1.00 0.00 S ATOM 8 CE MET A 1 8.406 11.848 5.593 1.00 0.00 C ATOM 0 H1 MET A 1 11.235 9.823 2.779 1.00 0.00 H new ATOM 0 H2 MET A 1 11.642 8.293 2.164 1.00 0.00 H new ATOM 0 H3 MET A 1 11.204 9.546 1.104 1.00 0.00 H new ATOM 0 HA MET A 1 9.538 7.745 2.629 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.191 10.729 2.779 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.781 9.691 2.701 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.944 8.313 4.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.984 9.710 4.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.764 12.466 6.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.416 11.840 6.004 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.428 12.257 4.583 1.00 0.00 H new ATOM 18 N LEU A 2 8.392 7.464 0.411 1.00 0.00 N ATOM 19 CA LEU A 2 7.784 7.195 -0.892 1.00 0.00 C ATOM 20 C LEU A 2 6.276 7.079 -0.699 1.00 0.00 C ATOM 21 O LEU A 2 5.813 6.627 0.351 1.00 0.00 O ATOM 22 CB LEU A 2 8.327 5.898 -1.514 1.00 0.00 C ATOM 23 CG LEU A 2 9.775 5.919 -2.033 1.00 0.00 C ATOM 24 CD1 LEU A 2 10.035 4.652 -2.858 1.00 0.00 C ATOM 25 CD2 LEU A 2 10.092 7.138 -2.901 1.00 0.00 C ATOM 0 H LEU A 2 8.256 6.704 1.078 1.00 0.00 H new ATOM 0 HA LEU A 2 8.028 8.011 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.247 5.107 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.675 5.622 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 2 10.420 5.968 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.060 4.663 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.884 3.773 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.345 4.619 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.129 7.089 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.433 7.147 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.940 8.048 -2.320 1.00 0.00 H new ATOM 37 N LYS A 3 5.487 7.415 -1.717 1.00 0.00 N ATOM 38 CA LYS A 3 4.023 7.387 -1.669 1.00 0.00 C ATOM 39 C LYS A 3 3.463 6.476 -2.756 1.00 0.00 C ATOM 40 O LYS A 3 3.994 6.435 -3.870 1.00 0.00 O ATOM 41 CB LYS A 3 3.464 8.823 -1.681 1.00 0.00 C ATOM 42 CG LYS A 3 4.307 9.844 -2.467 1.00 0.00 C ATOM 43 CD LYS A 3 3.699 11.248 -2.399 1.00 0.00 C ATOM 44 CE LYS A 3 4.530 12.256 -3.204 1.00 0.00 C ATOM 45 NZ LYS A 3 5.902 12.443 -2.686 1.00 0.00 N ATOM 0 H LYS A 3 5.853 7.721 -2.618 1.00 0.00 H new ATOM 0 HA LYS A 3 3.687 6.946 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.459 8.802 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.370 9.168 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.320 9.866 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.383 9.530 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.680 11.224 -2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.639 11.571 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.585 11.923 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.017 13.218 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.353 13.241 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.864 12.641 -1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.456 11.578 -2.850 1.00 0.00 H new ATOM 59 N LEU A 4 2.394 5.755 -2.414 1.00 0.00 N ATOM 60 CA LEU A 4 1.695 4.790 -3.248 1.00 0.00 C ATOM 61 C LEU A 4 0.191 4.959 -3.102 1.00 0.00 C ATOM 62 O LEU A 4 -0.322 4.928 -1.985 1.00 0.00 O ATOM 63 CB LEU A 4 2.087 3.380 -2.757 1.00 0.00 C ATOM 64 CG LEU A 4 1.379 2.207 -3.469 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.055 1.886 -4.800 1.00 0.00 C ATOM 66 CD2 LEU A 4 1.423 0.958 -2.582 1.00 0.00 C ATOM 0 H LEU A 4 1.971 5.838 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 4 1.965 4.937 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.163 3.259 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.876 3.314 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 4 0.346 2.502 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.537 1.056 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.017 2.762 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.095 1.611 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.922 0.134 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.461 0.687 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.918 1.164 -1.638 1.00 0.00 H new ATOM 78 N LYS A 5 -0.518 5.220 -4.194 1.00 0.00 N ATOM 79 CA LYS A 5 -1.972 5.325 -4.151 1.00 0.00 C ATOM 80 C LYS A 5 -2.438 3.890 -4.362 1.00 0.00 C ATOM 81 O LYS A 5 -1.858 3.221 -5.211 1.00 0.00 O ATOM 82 CB LYS A 5 -2.467 6.258 -5.255 1.00 0.00 C ATOM 83 CG LYS A 5 -3.975 6.525 -5.109 1.00 0.00 C ATOM 84 CD LYS A 5 -4.440 7.605 -6.088 1.00 0.00 C ATOM 85 CE LYS A 5 -3.875 8.976 -5.688 1.00 0.00 C ATOM 86 NZ LYS A 5 -3.937 9.933 -6.802 1.00 0.00 N ATOM 0 H LYS A 5 -0.111 5.363 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.355 5.746 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.921 7.200 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.264 5.815 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.530 5.604 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.195 6.836 -4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.116 7.352 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.529 7.645 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.436 9.368 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.841 8.863 -5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.547 10.847 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.381 9.570 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.926 10.059 -7.096 1.00 0.00 H new ATOM 100 N VAL A 6 -3.438 3.410 -3.636 1.00 0.00 N ATOM 101 CA VAL A 6 -3.975 2.061 -3.721 1.00 0.00 C ATOM 102 C VAL A 6 -5.483 2.179 -3.932 1.00 0.00 C ATOM 103 O VAL A 6 -6.249 2.330 -2.978 1.00 0.00 O ATOM 104 CB VAL A 6 -3.598 1.247 -2.461 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.025 -0.219 -2.626 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.093 1.280 -2.148 1.00 0.00 C ATOM 0 H VAL A 6 -3.919 3.978 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.547 1.514 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.126 1.717 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.753 -0.780 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.104 -0.269 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.521 -0.650 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.894 0.690 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.537 0.863 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.779 2.310 -1.981 1.00 0.00 H new ATOM 116 N GLU A 7 -5.913 2.213 -5.188 1.00 0.00 N ATOM 117 CA GLU A 7 -7.320 2.301 -5.520 1.00 0.00 C ATOM 118 C GLU A 7 -7.935 0.906 -5.335 1.00 0.00 C ATOM 119 O GLU A 7 -7.289 -0.126 -5.566 1.00 0.00 O ATOM 120 CB GLU A 7 -7.492 2.823 -6.956 1.00 0.00 C ATOM 121 CG GLU A 7 -8.710 3.749 -7.074 1.00 0.00 C ATOM 122 CD GLU A 7 -8.439 5.166 -6.557 1.00 0.00 C ATOM 123 OE1 GLU A 7 -7.657 5.921 -7.182 1.00 0.00 O ATOM 124 OE2 GLU A 7 -9.068 5.567 -5.547 1.00 0.00 O ATOM 0 H GLU A 7 -5.294 2.180 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.834 3.006 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.594 3.361 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.606 1.981 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.019 3.802 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.542 3.318 -6.517 1.00 0.00 H new ATOM 131 N GLY A 8 -9.200 0.880 -4.923 1.00 0.00 N ATOM 132 CA GLY A 8 -9.963 -0.329 -4.679 1.00 0.00 C ATOM 133 C GLY A 8 -11.433 0.039 -4.507 1.00 0.00 C ATOM 134 O GLY A 8 -11.846 1.133 -4.909 1.00 0.00 O ATOM 0 H GLY A 8 -9.734 1.731 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.843 -1.024 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.594 -0.834 -3.786 1.00 0.00 H new ATOM 138 N MET A 9 -12.238 -0.885 -3.980 1.00 0.00 N ATOM 139 CA MET A 9 -13.667 -0.672 -3.763 1.00 0.00 C ATOM 140 C MET A 9 -13.902 -0.226 -2.318 1.00 0.00 C ATOM 141 O MET A 9 -13.978 0.972 -2.039 1.00 0.00 O ATOM 142 CB MET A 9 -14.444 -1.939 -4.165 1.00 0.00 C ATOM 143 CG MET A 9 -15.959 -1.729 -4.106 1.00 0.00 C ATOM 144 SD MET A 9 -16.929 -3.206 -4.506 1.00 0.00 S ATOM 145 CE MET A 9 -18.561 -2.439 -4.621 1.00 0.00 C ATOM 0 H MET A 9 -11.913 -1.808 -3.690 1.00 0.00 H new ATOM 0 HA MET A 9 -14.046 0.130 -4.396 1.00 0.00 H new ATOM 0 HB2 MET A 9 -14.158 -2.234 -5.175 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.166 -2.759 -3.503 1.00 0.00 H new ATOM 0 HG2 MET A 9 -16.229 -1.391 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 9 -16.231 -0.931 -4.797 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.304 -3.199 -4.864 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.814 -1.976 -3.667 1.00 0.00 H new ATOM 0 HE3 MET A 9 -18.551 -1.679 -5.402 1.00 0.00 H new ATOM 155 N THR A 10 -14.017 -1.172 -1.387 1.00 0.00 N ATOM 156 CA THR A 10 -14.247 -0.878 0.016 1.00 0.00 C ATOM 157 C THR A 10 -13.005 -0.218 0.624 1.00 0.00 C ATOM 158 O THR A 10 -11.878 -0.549 0.251 1.00 0.00 O ATOM 159 CB THR A 10 -14.570 -2.199 0.735 1.00 0.00 C ATOM 160 OG1 THR A 10 -15.446 -3.011 -0.034 1.00 0.00 O ATOM 161 CG2 THR A 10 -15.148 -1.954 2.133 1.00 0.00 C ATOM 0 H THR A 10 -13.952 -2.169 -1.592 1.00 0.00 H new ATOM 0 HA THR A 10 -15.081 -0.185 0.128 1.00 0.00 H new ATOM 0 HB THR A 10 -13.629 -2.736 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 10 -15.630 -3.843 0.450 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.364 -2.910 2.610 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.425 -1.403 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.067 -1.374 2.050 1.00 0.00 H new ATOM 169 N CYS A 11 -13.215 0.634 1.626 1.00 0.00 N ATOM 170 CA CYS A 11 -12.180 1.359 2.349 1.00 0.00 C ATOM 171 C CYS A 11 -12.346 1.190 3.876 1.00 0.00 C ATOM 172 O CYS A 11 -11.639 1.825 4.646 1.00 0.00 O ATOM 173 CB CYS A 11 -12.227 2.827 1.895 1.00 0.00 C ATOM 174 SG CYS A 11 -10.581 3.581 2.018 1.00 0.00 S ATOM 0 H CYS A 11 -14.153 0.845 1.968 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.194 0.955 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.584 2.885 0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -12.935 3.382 2.510 1.00 0.00 H new ATOM 0 HG CYS A 11 -10.703 4.853 2.258 1.00 0.00 H new ATOM 180 N ASN A 12 -13.291 0.355 4.345 1.00 0.00 N ATOM 181 CA ASN A 12 -13.512 0.125 5.778 1.00 0.00 C ATOM 182 C ASN A 12 -12.576 -0.984 6.258 1.00 0.00 C ATOM 183 O ASN A 12 -11.385 -0.753 6.448 1.00 0.00 O ATOM 184 CB ASN A 12 -14.982 -0.197 6.113 1.00 0.00 C ATOM 185 CG ASN A 12 -15.901 0.994 5.957 1.00 0.00 C ATOM 186 OD1 ASN A 12 -16.722 1.009 5.045 1.00 0.00 O ATOM 187 ND2 ASN A 12 -15.751 2.012 6.789 1.00 0.00 N ATOM 0 H ASN A 12 -13.919 -0.176 3.741 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.285 1.050 6.307 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.328 -1.002 5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.043 -0.564 7.138 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.329 2.846 6.684 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.058 1.963 7.535 1.00 0.00 H new ATOM 194 N HIS A 13 -13.070 -2.219 6.410 1.00 0.00 N ATOM 195 CA HIS A 13 -12.262 -3.351 6.866 1.00 0.00 C ATOM 196 C HIS A 13 -11.132 -3.713 5.887 1.00 0.00 C ATOM 197 O HIS A 13 -10.239 -4.491 6.249 1.00 0.00 O ATOM 198 CB HIS A 13 -13.170 -4.557 7.167 1.00 0.00 C ATOM 199 CG HIS A 13 -14.046 -4.408 8.394 1.00 0.00 C ATOM 200 ND1 HIS A 13 -15.160 -5.169 8.685 1.00 0.00 N ATOM 201 CD2 HIS A 13 -13.834 -3.578 9.466 1.00 0.00 C ATOM 202 CE1 HIS A 13 -15.612 -4.804 9.897 1.00 0.00 C ATOM 203 NE2 HIS A 13 -14.836 -3.829 10.409 1.00 0.00 N ATOM 0 H HIS A 13 -14.043 -2.459 6.219 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.763 -3.051 7.787 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.809 -4.736 6.302 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.545 -5.441 7.290 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -13.035 -2.858 9.564 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.473 -5.231 10.389 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -14.956 -3.364 11.309 1.00 0.00 H new ATOM 211 N CYS A 14 -11.149 -3.146 4.676 1.00 0.00 N ATOM 212 CA CYS A 14 -10.151 -3.366 3.643 1.00 0.00 C ATOM 213 C CYS A 14 -8.778 -2.843 4.090 1.00 0.00 C ATOM 214 O CYS A 14 -7.773 -3.450 3.724 1.00 0.00 O ATOM 215 CB CYS A 14 -10.614 -2.718 2.328 1.00 0.00 C ATOM 216 SG CYS A 14 -10.209 -3.794 0.924 1.00 0.00 S ATOM 0 H CYS A 14 -11.885 -2.502 4.386 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.041 -4.437 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.689 -2.539 2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.133 -1.748 2.203 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.608 -3.235 -0.180 1.00 0.00 H new ATOM 222 N VAL A 15 -8.720 -1.818 4.957 1.00 0.00 N ATOM 223 CA VAL A 15 -7.459 -1.249 5.450 1.00 0.00 C ATOM 224 C VAL A 15 -6.577 -2.340 6.066 1.00 0.00 C ATOM 225 O VAL A 15 -5.350 -2.301 5.954 1.00 0.00 O ATOM 226 CB VAL A 15 -7.690 -0.087 6.443 1.00 0.00 C ATOM 227 CG1 VAL A 15 -8.542 1.026 5.823 1.00 0.00 C ATOM 228 CG2 VAL A 15 -8.300 -0.540 7.780 1.00 0.00 C ATOM 0 H VAL A 15 -9.550 -1.361 5.335 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.935 -0.828 4.592 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.698 0.308 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.683 1.825 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.037 1.423 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.513 0.623 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.436 0.325 8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.265 -1.012 7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.632 -1.254 8.261 1.00 0.00 H new ATOM 238 N MET A 16 -7.196 -3.325 6.727 1.00 0.00 N ATOM 239 CA MET A 16 -6.469 -4.414 7.350 1.00 0.00 C ATOM 240 C MET A 16 -5.809 -5.270 6.278 1.00 0.00 C ATOM 241 O MET A 16 -4.641 -5.608 6.426 1.00 0.00 O ATOM 242 CB MET A 16 -7.396 -5.242 8.247 1.00 0.00 C ATOM 243 CG MET A 16 -6.589 -6.136 9.196 1.00 0.00 C ATOM 244 SD MET A 16 -5.453 -5.264 10.322 1.00 0.00 S ATOM 245 CE MET A 16 -6.631 -4.213 11.217 1.00 0.00 C ATOM 0 H MET A 16 -8.208 -3.381 6.839 1.00 0.00 H new ATOM 0 HA MET A 16 -5.686 -4.005 7.989 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.037 -4.577 8.826 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.050 -5.858 7.630 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.286 -6.723 9.794 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.010 -6.841 8.599 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.134 -3.758 12.074 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.998 -3.430 10.553 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.469 -4.818 11.562 1.00 0.00 H new ATOM 255 N ALA A 17 -6.540 -5.613 5.214 1.00 0.00 N ATOM 256 CA ALA A 17 -6.012 -6.421 4.130 1.00 0.00 C ATOM 257 C ALA A 17 -4.834 -5.715 3.473 1.00 0.00 C ATOM 258 O ALA A 17 -3.763 -6.302 3.406 1.00 0.00 O ATOM 259 CB ALA A 17 -7.104 -6.721 3.105 1.00 0.00 C ATOM 0 H ALA A 17 -7.513 -5.335 5.087 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.661 -7.369 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.690 -7.328 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.917 -7.264 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.486 -5.786 2.696 1.00 0.00 H new ATOM 265 N VAL A 18 -4.974 -4.452 3.051 1.00 0.00 N ATOM 266 CA VAL A 18 -3.852 -3.757 2.413 1.00 0.00 C ATOM 267 C VAL A 18 -2.642 -3.694 3.354 1.00 0.00 C ATOM 268 O VAL A 18 -1.540 -4.067 2.948 1.00 0.00 O ATOM 269 CB VAL A 18 -4.282 -2.398 1.813 1.00 0.00 C ATOM 270 CG1 VAL A 18 -4.978 -1.458 2.799 1.00 0.00 C ATOM 271 CG2 VAL A 18 -3.123 -1.643 1.151 1.00 0.00 C ATOM 0 H VAL A 18 -5.830 -3.903 3.137 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.520 -4.338 1.552 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.012 -2.685 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.244 -0.531 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.881 -1.935 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.306 -1.238 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.487 -0.698 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.346 -1.448 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.710 -2.246 0.342 1.00 0.00 H new ATOM 281 N THR A 19 -2.826 -3.302 4.619 1.00 0.00 N ATOM 282 CA THR A 19 -1.707 -3.208 5.554 1.00 0.00 C ATOM 283 C THR A 19 -1.030 -4.556 5.838 1.00 0.00 C ATOM 284 O THR A 19 0.202 -4.615 5.914 1.00 0.00 O ATOM 285 CB THR A 19 -2.121 -2.493 6.851 1.00 0.00 C ATOM 286 OG1 THR A 19 -3.265 -3.054 7.467 1.00 0.00 O ATOM 287 CG2 THR A 19 -2.408 -1.007 6.646 1.00 0.00 C ATOM 0 H THR A 19 -3.731 -3.047 5.014 1.00 0.00 H new ATOM 0 HA THR A 19 -0.950 -2.599 5.059 1.00 0.00 H new ATOM 0 HB THR A 19 -1.254 -2.626 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.071 -2.626 7.111 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.695 -0.557 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.514 -0.513 6.266 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.220 -0.889 5.929 1.00 0.00 H new ATOM 295 N LYS A 20 -1.801 -5.635 5.997 1.00 0.00 N ATOM 296 CA LYS A 20 -1.277 -6.968 6.283 1.00 0.00 C ATOM 297 C LYS A 20 -0.659 -7.613 5.049 1.00 0.00 C ATOM 298 O LYS A 20 0.411 -8.212 5.164 1.00 0.00 O ATOM 299 CB LYS A 20 -2.407 -7.855 6.832 1.00 0.00 C ATOM 300 CG LYS A 20 -2.823 -7.488 8.266 1.00 0.00 C ATOM 301 CD LYS A 20 -1.826 -8.018 9.307 1.00 0.00 C ATOM 302 CE LYS A 20 -2.138 -7.498 10.713 1.00 0.00 C ATOM 303 NZ LYS A 20 -1.838 -6.061 10.884 1.00 0.00 N ATOM 0 H LYS A 20 -2.818 -5.604 5.929 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.487 -6.868 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.274 -7.774 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.086 -8.897 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.899 -6.404 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.813 -7.895 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.849 -9.108 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.816 -7.721 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.192 -7.671 10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.564 -8.071 11.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.414 -5.904 11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.171 -5.755 10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.717 -5.511 10.805 1.00 0.00 H new ATOM 317 N ALA A 21 -1.275 -7.470 3.878 1.00 0.00 N ATOM 318 CA ALA A 21 -0.788 -8.044 2.633 1.00 0.00 C ATOM 319 C ALA A 21 0.519 -7.374 2.220 1.00 0.00 C ATOM 320 O ALA A 21 1.475 -8.051 1.835 1.00 0.00 O ATOM 321 CB ALA A 21 -1.853 -7.917 1.545 1.00 0.00 C ATOM 0 H ALA A 21 -2.141 -6.942 3.769 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.585 -9.105 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.479 -8.350 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.754 -8.446 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.087 -6.864 1.386 1.00 0.00 H new ATOM 327 N LEU A 22 0.601 -6.043 2.355 1.00 0.00 N ATOM 328 CA LEU A 22 1.803 -5.283 2.016 1.00 0.00 C ATOM 329 C LEU A 22 3.005 -5.816 2.799 1.00 0.00 C ATOM 330 O LEU A 22 4.137 -5.720 2.321 1.00 0.00 O ATOM 331 CB LEU A 22 1.600 -3.776 2.266 1.00 0.00 C ATOM 332 CG LEU A 22 0.984 -3.042 1.058 1.00 0.00 C ATOM 333 CD1 LEU A 22 0.520 -1.644 1.474 1.00 0.00 C ATOM 334 CD2 LEU A 22 1.999 -2.870 -0.083 1.00 0.00 C ATOM 0 H LEU A 22 -0.166 -5.467 2.702 1.00 0.00 H new ATOM 0 HA LEU A 22 2.001 -5.412 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.954 -3.641 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.560 -3.321 2.509 1.00 0.00 H new ATOM 0 HG LEU A 22 0.147 -3.649 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.086 -1.134 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.229 -1.729 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.372 -1.073 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.526 -2.349 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.851 -2.290 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.341 -3.850 -0.416 1.00 0.00 H new ATOM 346 N LYS A 23 2.785 -6.388 3.990 1.00 0.00 N ATOM 347 CA LYS A 23 3.835 -6.949 4.833 1.00 0.00 C ATOM 348 C LYS A 23 4.617 -8.074 4.146 1.00 0.00 C ATOM 349 O LYS A 23 5.675 -8.441 4.653 1.00 0.00 O ATOM 350 CB LYS A 23 3.236 -7.457 6.154 1.00 0.00 C ATOM 351 CG LYS A 23 4.244 -7.385 7.310 1.00 0.00 C ATOM 352 CD LYS A 23 4.177 -6.026 8.004 1.00 0.00 C ATOM 353 CE LYS A 23 5.247 -5.910 9.088 1.00 0.00 C ATOM 354 NZ LYS A 23 5.000 -4.759 9.978 1.00 0.00 N ATOM 0 H LYS A 23 1.854 -6.473 4.397 1.00 0.00 H new ATOM 0 HA LYS A 23 4.544 -6.145 5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.356 -6.865 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.902 -8.487 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.036 -8.177 8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.252 -7.556 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.311 -5.232 7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.190 -5.888 8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.269 -6.827 9.677 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.227 -5.806 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.746 -4.713 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.004 -3.882 9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.076 -4.871 10.442 1.00 0.00 H new ATOM 368 N LYS A 24 4.165 -8.612 2.998 1.00 0.00 N ATOM 369 CA LYS A 24 4.878 -9.678 2.287 1.00 0.00 C ATOM 370 C LYS A 24 6.332 -9.297 1.966 1.00 0.00 C ATOM 371 O LYS A 24 7.122 -10.183 1.640 1.00 0.00 O ATOM 372 CB LYS A 24 4.079 -10.186 1.071 1.00 0.00 C ATOM 373 CG LYS A 24 3.995 -9.217 -0.121 1.00 0.00 C ATOM 374 CD LYS A 24 3.141 -9.779 -1.275 1.00 0.00 C ATOM 375 CE LYS A 24 1.637 -9.769 -0.958 1.00 0.00 C ATOM 376 NZ LYS A 24 0.799 -10.159 -2.120 1.00 0.00 N ATOM 0 H LYS A 24 3.300 -8.319 2.543 1.00 0.00 H new ATOM 0 HA LYS A 24 4.955 -10.529 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.528 -11.118 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.066 -10.421 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.571 -8.270 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.000 -9.006 -0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.322 -9.192 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.456 -10.800 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.441 -10.450 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.347 -8.772 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.093 -10.573 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.593 -9.319 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.309 -10.859 -2.696 1.00 0.00 H new ATOM 390 N VAL A 25 6.694 -8.012 2.035 1.00 0.00 N ATOM 391 CA VAL A 25 8.036 -7.496 1.817 1.00 0.00 C ATOM 392 C VAL A 25 8.474 -6.970 3.201 1.00 0.00 C ATOM 393 O VAL A 25 8.195 -5.823 3.565 1.00 0.00 O ATOM 394 CB VAL A 25 8.067 -6.485 0.651 1.00 0.00 C ATOM 395 CG1 VAL A 25 7.984 -7.258 -0.670 1.00 0.00 C ATOM 396 CG2 VAL A 25 6.943 -5.441 0.637 1.00 0.00 C ATOM 0 H VAL A 25 6.024 -7.275 2.255 1.00 0.00 H new ATOM 0 HA VAL A 25 8.756 -8.241 1.479 1.00 0.00 H new ATOM 0 HB VAL A 25 8.997 -5.933 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.005 -6.556 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.832 -7.939 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.056 -7.829 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.066 -4.785 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.979 -5.945 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.984 -4.849 1.552 1.00 0.00 H new ATOM 406 N PRO A 26 9.149 -7.793 4.027 1.00 0.00 N ATOM 407 CA PRO A 26 9.580 -7.399 5.364 1.00 0.00 C ATOM 408 C PRO A 26 10.795 -6.469 5.398 1.00 0.00 C ATOM 409 O PRO A 26 11.140 -5.998 6.481 1.00 0.00 O ATOM 410 CB PRO A 26 9.899 -8.719 6.073 1.00 0.00 C ATOM 411 CG PRO A 26 10.424 -9.592 4.938 1.00 0.00 C ATOM 412 CD PRO A 26 9.549 -9.170 3.760 1.00 0.00 C ATOM 0 HA PRO A 26 8.794 -6.816 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.642 -8.587 6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 26 9.014 -9.152 6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.481 -9.411 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.319 -10.654 5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.098 -9.241 2.821 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.678 -9.819 3.670 1.00 0.00 H new ATOM 420 N GLY A 27 11.430 -6.148 4.270 1.00 0.00 N ATOM 421 CA GLY A 27 12.611 -5.292 4.249 1.00 0.00 C ATOM 422 C GLY A 27 12.381 -3.797 4.439 1.00 0.00 C ATOM 423 O GLY A 27 13.340 -3.044 4.302 1.00 0.00 O ATOM 0 H GLY A 27 11.139 -6.475 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.291 -5.633 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.120 -5.439 3.296 1.00 0.00 H new ATOM 427 N VAL A 28 11.144 -3.343 4.663 1.00 0.00 N ATOM 428 CA VAL A 28 10.842 -1.927 4.880 1.00 0.00 C ATOM 429 C VAL A 28 10.339 -1.655 6.299 1.00 0.00 C ATOM 430 O VAL A 28 10.792 -0.725 6.960 1.00 0.00 O ATOM 431 CB VAL A 28 9.987 -1.366 3.733 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.684 -2.134 3.453 1.00 0.00 C ATOM 433 CG2 VAL A 28 9.687 0.112 3.975 1.00 0.00 C ATOM 0 H VAL A 28 10.324 -3.948 4.699 1.00 0.00 H new ATOM 0 HA VAL A 28 11.766 -1.350 4.835 1.00 0.00 H new ATOM 0 HB VAL A 28 10.592 -1.494 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.153 -1.660 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.919 -3.165 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.056 -2.121 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.081 0.499 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.144 0.224 4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.622 0.669 4.029 1.00 0.00 H new ATOM 443 N GLU A 29 9.382 -2.452 6.768 1.00 0.00 N ATOM 444 CA GLU A 29 8.765 -2.377 8.093 1.00 0.00 C ATOM 445 C GLU A 29 8.059 -1.065 8.458 1.00 0.00 C ATOM 446 O GLU A 29 7.403 -1.033 9.502 1.00 0.00 O ATOM 447 CB GLU A 29 9.750 -2.821 9.182 1.00 0.00 C ATOM 448 CG GLU A 29 10.287 -4.213 8.849 1.00 0.00 C ATOM 449 CD GLU A 29 10.629 -5.010 10.093 1.00 0.00 C ATOM 450 OE1 GLU A 29 9.682 -5.487 10.760 1.00 0.00 O ATOM 451 OE2 GLU A 29 11.830 -5.258 10.348 1.00 0.00 O ATOM 0 H GLU A 29 8.994 -3.209 6.205 1.00 0.00 H new ATOM 0 HA GLU A 29 7.937 -3.083 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.573 -2.110 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.254 -2.834 10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.544 -4.756 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.176 -4.118 8.225 1.00 0.00 H new ATOM 458 N LYS A 30 8.073 -0.033 7.615 1.00 0.00 N ATOM 459 CA LYS A 30 7.427 1.250 7.871 1.00 0.00 C ATOM 460 C LYS A 30 6.428 1.482 6.749 1.00 0.00 C ATOM 461 O LYS A 30 6.822 1.833 5.632 1.00 0.00 O ATOM 462 CB LYS A 30 8.517 2.335 7.976 1.00 0.00 C ATOM 463 CG LYS A 30 8.585 2.929 9.384 1.00 0.00 C ATOM 464 CD LYS A 30 7.496 3.991 9.583 1.00 0.00 C ATOM 465 CE LYS A 30 7.284 4.248 11.075 1.00 0.00 C ATOM 466 NZ LYS A 30 6.333 3.290 11.674 1.00 0.00 N ATOM 0 H LYS A 30 8.547 -0.069 6.712 1.00 0.00 H new ATOM 0 HA LYS A 30 6.878 1.275 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.484 1.907 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.314 3.127 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.466 2.137 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.567 3.374 9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.783 4.916 9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.564 3.658 9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.240 4.181 11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.914 5.263 11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.219 3.501 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.412 3.371 11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.697 2.322 11.561 1.00 0.00 H new ATOM 480 N VAL A 31 5.142 1.277 7.040 1.00 0.00 N ATOM 481 CA VAL A 31 4.050 1.420 6.083 1.00 0.00 C ATOM 482 C VAL A 31 2.835 2.057 6.776 1.00 0.00 C ATOM 483 O VAL A 31 2.518 1.712 7.919 1.00 0.00 O ATOM 484 CB VAL A 31 3.738 0.032 5.464 1.00 0.00 C ATOM 485 CG1 VAL A 31 4.961 -0.623 4.802 1.00 0.00 C ATOM 486 CG2 VAL A 31 3.168 -0.987 6.465 1.00 0.00 C ATOM 0 H VAL A 31 4.827 1.001 7.970 1.00 0.00 H new ATOM 0 HA VAL A 31 4.330 2.086 5.267 1.00 0.00 H new ATOM 0 HB VAL A 31 2.981 0.267 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.676 -1.591 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.329 0.019 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.746 -0.763 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.977 -1.931 5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.886 -1.148 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.236 -0.605 6.882 1.00 0.00 H new ATOM 496 N GLU A 32 2.156 2.988 6.109 1.00 0.00 N ATOM 497 CA GLU A 32 0.981 3.709 6.591 1.00 0.00 C ATOM 498 C GLU A 32 -0.033 3.799 5.443 1.00 0.00 C ATOM 499 O GLU A 32 0.364 3.938 4.282 1.00 0.00 O ATOM 500 CB GLU A 32 1.383 5.126 7.046 1.00 0.00 C ATOM 501 CG GLU A 32 2.067 5.222 8.418 1.00 0.00 C ATOM 502 CD GLU A 32 1.075 4.956 9.548 1.00 0.00 C ATOM 503 OE1 GLU A 32 0.847 3.776 9.893 1.00 0.00 O ATOM 504 OE2 GLU A 32 0.396 5.894 10.018 1.00 0.00 O ATOM 0 H GLU A 32 2.425 3.274 5.168 1.00 0.00 H new ATOM 0 HA GLU A 32 0.543 3.184 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.052 5.551 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.488 5.748 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.884 4.503 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.505 6.212 8.541 1.00 0.00 H new ATOM 511 N VAL A 33 -1.329 3.696 5.750 1.00 0.00 N ATOM 512 CA VAL A 33 -2.449 3.768 4.806 1.00 0.00 C ATOM 513 C VAL A 33 -3.536 4.641 5.447 1.00 0.00 C ATOM 514 O VAL A 33 -3.690 4.612 6.675 1.00 0.00 O ATOM 515 CB VAL A 33 -2.995 2.353 4.488 1.00 0.00 C ATOM 516 CG1 VAL A 33 -4.067 2.396 3.390 1.00 0.00 C ATOM 517 CG2 VAL A 33 -1.912 1.369 4.029 1.00 0.00 C ATOM 0 H VAL A 33 -1.642 3.553 6.710 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.121 4.202 3.861 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.415 2.004 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.427 1.386 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.898 3.020 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.638 2.812 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.365 0.399 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.437 1.747 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.163 1.261 4.813 1.00 0.00 H new ATOM 527 N SER A 34 -4.246 5.454 4.663 1.00 0.00 N ATOM 528 CA SER A 34 -5.317 6.299 5.173 1.00 0.00 C ATOM 529 C SER A 34 -6.549 5.426 5.414 1.00 0.00 C ATOM 530 O SER A 34 -6.819 4.489 4.664 1.00 0.00 O ATOM 531 CB SER A 34 -5.612 7.417 4.159 1.00 0.00 C ATOM 532 OG SER A 34 -6.632 8.324 4.578 1.00 0.00 O ATOM 0 H SER A 34 -4.092 5.542 3.659 1.00 0.00 H new ATOM 0 HA SER A 34 -5.027 6.767 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.695 7.977 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.907 6.966 3.212 1.00 0.00 H new ATOM 0 HG SER A 34 -6.656 9.092 3.970 1.00 0.00 H new ATOM 538 N LEU A 35 -7.235 5.667 6.529 1.00 0.00 N ATOM 539 CA LEU A 35 -8.460 4.957 6.871 1.00 0.00 C ATOM 540 C LEU A 35 -9.591 5.460 5.968 1.00 0.00 C ATOM 541 O LEU A 35 -10.477 4.707 5.573 1.00 0.00 O ATOM 542 CB LEU A 35 -8.820 5.170 8.351 1.00 0.00 C ATOM 543 CG LEU A 35 -7.804 4.563 9.337 1.00 0.00 C ATOM 544 CD1 LEU A 35 -8.179 4.962 10.765 1.00 0.00 C ATOM 545 CD2 LEU A 35 -7.741 3.032 9.246 1.00 0.00 C ATOM 0 H LEU A 35 -6.954 6.362 7.221 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.313 3.888 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.903 6.240 8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.801 4.734 8.542 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.822 4.953 9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.460 4.533 11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.167 6.048 10.854 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.177 4.590 10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.010 2.655 9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.721 2.613 9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.447 2.739 8.238 1.00 0.00 H new ATOM 557 N GLU A 36 -9.569 6.759 5.657 1.00 0.00 N ATOM 558 CA GLU A 36 -10.565 7.421 4.835 1.00 0.00 C ATOM 559 C GLU A 36 -10.308 7.218 3.338 1.00 0.00 C ATOM 560 O GLU A 36 -11.177 6.713 2.616 1.00 0.00 O ATOM 561 CB GLU A 36 -10.613 8.916 5.191 1.00 0.00 C ATOM 562 CG GLU A 36 -11.409 9.192 6.477 1.00 0.00 C ATOM 563 CD GLU A 36 -10.861 8.477 7.711 1.00 0.00 C ATOM 564 OE1 GLU A 36 -9.712 8.771 8.117 1.00 0.00 O ATOM 565 OE2 GLU A 36 -11.569 7.611 8.271 1.00 0.00 O ATOM 0 H GLU A 36 -8.836 7.389 5.982 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.534 6.969 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.596 9.290 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.061 9.468 4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.416 10.266 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.445 8.889 6.324 1.00 0.00 H new ATOM 572 N LYS A 37 -9.128 7.626 2.865 1.00 0.00 N ATOM 573 CA LYS A 37 -8.713 7.544 1.467 1.00 0.00 C ATOM 574 C LYS A 37 -8.000 6.238 1.147 1.00 0.00 C ATOM 575 O LYS A 37 -7.726 5.426 2.021 1.00 0.00 O ATOM 576 CB LYS A 37 -7.738 8.694 1.166 1.00 0.00 C ATOM 577 CG LYS A 37 -8.298 10.104 1.376 1.00 0.00 C ATOM 578 CD LYS A 37 -7.186 11.075 0.973 1.00 0.00 C ATOM 579 CE LYS A 37 -7.557 12.536 1.199 1.00 0.00 C ATOM 580 NZ LYS A 37 -6.429 13.410 0.821 1.00 0.00 N ATOM 0 H LYS A 37 -8.413 8.036 3.466 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.616 7.604 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.857 8.574 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.405 8.604 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.190 10.262 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.588 10.256 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.285 10.843 1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.946 10.926 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.438 12.791 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.816 12.696 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.692 14.404 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.598 13.175 1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.201 13.268 -0.184 1.00 0.00 H new ATOM 594 N GLY A 38 -7.644 6.072 -0.122 1.00 0.00 N ATOM 595 CA GLY A 38 -6.917 4.932 -0.647 1.00 0.00 C ATOM 596 C GLY A 38 -5.445 5.311 -0.813 1.00 0.00 C ATOM 597 O GLY A 38 -4.728 4.664 -1.563 1.00 0.00 O ATOM 0 H GLY A 38 -7.866 6.761 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.013 4.082 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.337 4.627 -1.605 1.00 0.00 H new ATOM 601 N GLU A 39 -4.973 6.387 -0.176 1.00 0.00 N ATOM 602 CA GLU A 39 -3.590 6.825 -0.288 1.00 0.00 C ATOM 603 C GLU A 39 -2.782 6.151 0.820 1.00 0.00 C ATOM 604 O GLU A 39 -3.279 5.959 1.935 1.00 0.00 O ATOM 605 CB GLU A 39 -3.536 8.359 -0.206 1.00 0.00 C ATOM 606 CG GLU A 39 -2.112 8.885 -0.447 1.00 0.00 C ATOM 607 CD GLU A 39 -2.016 10.408 -0.588 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.995 11.124 -0.270 1.00 0.00 O ATOM 609 OE2 GLU A 39 -0.926 10.865 -1.006 1.00 0.00 O ATOM 0 H GLU A 39 -5.544 6.975 0.431 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.157 6.538 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.214 8.788 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.885 8.685 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.476 8.568 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.715 8.423 -1.351 1.00 0.00 H new ATOM 616 N ALA A 40 -1.539 5.788 0.502 1.00 0.00 N ATOM 617 CA ALA A 40 -0.613 5.131 1.398 1.00 0.00 C ATOM 618 C ALA A 40 0.807 5.666 1.192 1.00 0.00 C ATOM 619 O ALA A 40 1.121 6.321 0.191 1.00 0.00 O ATOM 620 CB ALA A 40 -0.684 3.626 1.128 1.00 0.00 C ATOM 0 H ALA A 40 -1.144 5.954 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.881 5.331 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.006 3.104 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.699 3.271 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.410 3.429 0.092 1.00 0.00 H new ATOM 626 N LEU A 41 1.674 5.409 2.168 1.00 0.00 N ATOM 627 CA LEU A 41 3.067 5.821 2.172 1.00 0.00 C ATOM 628 C LEU A 41 3.929 4.761 2.856 1.00 0.00 C ATOM 629 O LEU A 41 3.499 4.133 3.826 1.00 0.00 O ATOM 630 CB LEU A 41 3.236 7.239 2.743 1.00 0.00 C ATOM 631 CG LEU A 41 2.822 7.506 4.202 1.00 0.00 C ATOM 632 CD1 LEU A 41 3.408 8.853 4.644 1.00 0.00 C ATOM 633 CD2 LEU A 41 1.303 7.572 4.407 1.00 0.00 C ATOM 0 H LEU A 41 1.412 4.889 3.006 1.00 0.00 H new ATOM 0 HA LEU A 41 3.425 5.891 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.287 7.512 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.668 7.920 2.109 1.00 0.00 H new ATOM 0 HG LEU A 41 3.201 6.670 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.121 9.053 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.495 8.819 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.025 9.645 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.086 7.763 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.888 8.376 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.854 6.624 4.110 1.00 0.00 H new ATOM 645 N VAL A 42 5.148 4.571 2.358 1.00 0.00 N ATOM 646 CA VAL A 42 6.135 3.599 2.821 1.00 0.00 C ATOM 647 C VAL A 42 7.464 4.328 3.018 1.00 0.00 C ATOM 648 O VAL A 42 7.793 5.206 2.211 1.00 0.00 O ATOM 649 CB VAL A 42 6.209 2.480 1.755 1.00 0.00 C ATOM 650 CG1 VAL A 42 7.298 1.448 2.028 1.00 0.00 C ATOM 651 CG2 VAL A 42 4.859 1.761 1.627 1.00 0.00 C ATOM 0 H VAL A 42 5.494 5.124 1.574 1.00 0.00 H new ATOM 0 HA VAL A 42 5.872 3.143 3.775 1.00 0.00 H new ATOM 0 HB VAL A 42 6.463 2.982 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.291 0.695 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.270 1.941 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.113 0.969 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.934 0.978 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.591 1.316 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.092 2.477 1.332 1.00 0.00 H new ATOM 661 N GLU A 43 8.253 3.977 4.034 1.00 0.00 N ATOM 662 CA GLU A 43 9.538 4.610 4.335 1.00 0.00 C ATOM 663 C GLU A 43 10.619 3.538 4.519 1.00 0.00 C ATOM 664 O GLU A 43 10.658 2.882 5.553 1.00 0.00 O ATOM 665 CB GLU A 43 9.359 5.534 5.558 1.00 0.00 C ATOM 666 CG GLU A 43 10.635 6.308 5.916 1.00 0.00 C ATOM 667 CD GLU A 43 10.417 7.387 6.987 1.00 0.00 C ATOM 668 OE1 GLU A 43 9.607 7.199 7.924 1.00 0.00 O ATOM 669 OE2 GLU A 43 11.059 8.458 6.864 1.00 0.00 O ATOM 0 H GLU A 43 8.012 3.229 4.684 1.00 0.00 H new ATOM 0 HA GLU A 43 9.876 5.234 3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.555 6.242 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.050 4.937 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.390 5.605 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.031 6.776 5.015 1.00 0.00 H new ATOM 676 N GLY A 44 11.507 3.375 3.532 1.00 0.00 N ATOM 677 CA GLY A 44 12.602 2.405 3.524 1.00 0.00 C ATOM 678 C GLY A 44 13.198 2.292 2.120 1.00 0.00 C ATOM 679 O GLY A 44 12.997 3.192 1.300 1.00 0.00 O ATOM 0 H GLY A 44 11.479 3.940 2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.373 2.711 4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.237 1.431 3.852 1.00 0.00 H new ATOM 683 N THR A 45 13.926 1.216 1.817 1.00 0.00 N ATOM 684 CA THR A 45 14.558 0.990 0.510 1.00 0.00 C ATOM 685 C THR A 45 13.739 0.111 -0.446 1.00 0.00 C ATOM 686 O THR A 45 14.201 -0.126 -1.568 1.00 0.00 O ATOM 687 CB THR A 45 15.973 0.412 0.707 1.00 0.00 C ATOM 688 OG1 THR A 45 16.000 -0.570 1.724 1.00 0.00 O ATOM 689 CG2 THR A 45 16.949 1.519 1.086 1.00 0.00 C ATOM 0 H THR A 45 14.098 0.462 2.482 1.00 0.00 H new ATOM 0 HA THR A 45 14.614 1.965 0.025 1.00 0.00 H new ATOM 0 HB THR A 45 16.264 -0.046 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.912 -0.916 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.944 1.096 1.222 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.978 2.266 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.624 1.988 2.015 1.00 0.00 H new ATOM 697 N ALA A 46 12.549 -0.365 -0.054 1.00 0.00 N ATOM 698 CA ALA A 46 11.711 -1.218 -0.899 1.00 0.00 C ATOM 699 C ALA A 46 11.502 -0.588 -2.280 1.00 0.00 C ATOM 700 O ALA A 46 11.203 0.610 -2.379 1.00 0.00 O ATOM 701 CB ALA A 46 10.367 -1.500 -0.219 1.00 0.00 C ATOM 0 H ALA A 46 12.142 -0.167 0.860 1.00 0.00 H new ATOM 0 HA ALA A 46 12.228 -2.167 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.759 -2.135 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.539 -2.006 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.845 -0.560 -0.040 1.00 0.00 H new ATOM 707 N ASP A 47 11.701 -1.385 -3.332 1.00 0.00 N ATOM 708 CA ASP A 47 11.548 -0.948 -4.719 1.00 0.00 C ATOM 709 C ASP A 47 10.082 -0.580 -4.952 1.00 0.00 C ATOM 710 O ASP A 47 9.212 -1.311 -4.478 1.00 0.00 O ATOM 711 CB ASP A 47 11.922 -2.075 -5.697 1.00 0.00 C ATOM 712 CG ASP A 47 13.421 -2.186 -5.958 1.00 0.00 C ATOM 713 OD1 ASP A 47 14.093 -1.166 -6.200 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.946 -3.329 -5.958 1.00 0.00 O ATOM 0 H ASP A 47 11.976 -2.363 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 47 12.206 -0.096 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.560 -3.024 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.408 -1.908 -6.644 1.00 0.00 H new ATOM 719 N PRO A 48 9.752 0.465 -5.733 1.00 0.00 N ATOM 720 CA PRO A 48 8.363 0.852 -5.971 1.00 0.00 C ATOM 721 C PRO A 48 7.508 -0.321 -6.479 1.00 0.00 C ATOM 722 O PRO A 48 6.437 -0.601 -5.917 1.00 0.00 O ATOM 723 CB PRO A 48 8.409 2.065 -6.910 1.00 0.00 C ATOM 724 CG PRO A 48 9.859 2.178 -7.386 1.00 0.00 C ATOM 725 CD PRO A 48 10.676 1.396 -6.360 1.00 0.00 C ATOM 0 HA PRO A 48 7.859 1.133 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.731 1.931 -7.753 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.097 2.972 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.979 1.762 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.178 3.219 -7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.498 0.865 -6.840 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.116 2.065 -5.621 1.00 0.00 H new ATOM 733 N LYS A 49 7.990 -1.056 -7.493 1.00 0.00 N ATOM 734 CA LYS A 49 7.234 -2.192 -8.011 1.00 0.00 C ATOM 735 C LYS A 49 7.017 -3.285 -6.971 1.00 0.00 C ATOM 736 O LYS A 49 6.098 -4.073 -7.155 1.00 0.00 O ATOM 737 CB LYS A 49 7.862 -2.814 -9.261 1.00 0.00 C ATOM 738 CG LYS A 49 9.199 -3.537 -9.002 1.00 0.00 C ATOM 739 CD LYS A 49 9.698 -4.259 -10.254 1.00 0.00 C ATOM 740 CE LYS A 49 8.779 -5.443 -10.597 1.00 0.00 C ATOM 741 NZ LYS A 49 9.089 -6.033 -11.910 1.00 0.00 N ATOM 0 H LYS A 49 8.881 -0.885 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 49 6.267 -1.768 -8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.156 -3.523 -9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.023 -2.031 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.947 -2.815 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.074 -4.256 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.732 -3.563 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.715 -4.616 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.874 -6.208 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.742 -5.109 -10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.443 -6.827 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.973 -5.312 -12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.070 -6.378 -11.913 1.00 0.00 H new ATOM 755 N ALA A 50 7.848 -3.384 -5.927 1.00 0.00 N ATOM 756 CA ALA A 50 7.680 -4.410 -4.912 1.00 0.00 C ATOM 757 C ALA A 50 6.323 -4.211 -4.249 1.00 0.00 C ATOM 758 O ALA A 50 5.576 -5.177 -4.101 1.00 0.00 O ATOM 759 CB ALA A 50 8.821 -4.377 -3.888 1.00 0.00 C ATOM 0 H ALA A 50 8.641 -2.762 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 50 7.716 -5.395 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.664 -5.157 -3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.771 -4.546 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.840 -3.404 -3.396 1.00 0.00 H new ATOM 765 N LEU A 51 6.016 -2.966 -3.864 1.00 0.00 N ATOM 766 CA LEU A 51 4.755 -2.612 -3.228 1.00 0.00 C ATOM 767 C LEU A 51 3.626 -2.727 -4.252 1.00 0.00 C ATOM 768 O LEU A 51 2.595 -3.339 -3.958 1.00 0.00 O ATOM 769 CB LEU A 51 4.759 -1.177 -2.659 1.00 0.00 C ATOM 770 CG LEU A 51 5.806 -0.780 -1.599 1.00 0.00 C ATOM 771 CD1 LEU A 51 6.016 -1.855 -0.535 1.00 0.00 C ATOM 772 CD2 LEU A 51 7.163 -0.402 -2.195 1.00 0.00 C ATOM 0 H LEU A 51 6.646 -2.174 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 51 4.608 -3.301 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.871 -0.493 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.774 -0.994 -2.229 1.00 0.00 H new ATOM 0 HG LEU A 51 5.378 0.105 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.764 -1.516 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.076 -2.043 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.358 -2.775 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.851 -0.134 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.565 -1.249 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.041 0.447 -2.867 1.00 0.00 H new ATOM 784 N VAL A 52 3.822 -2.138 -5.444 1.00 0.00 N ATOM 785 CA VAL A 52 2.805 -2.172 -6.495 1.00 0.00 C ATOM 786 C VAL A 52 2.397 -3.615 -6.779 1.00 0.00 C ATOM 787 O VAL A 52 1.224 -3.930 -6.634 1.00 0.00 O ATOM 788 CB VAL A 52 3.272 -1.448 -7.771 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.245 -1.554 -8.903 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.525 0.046 -7.530 1.00 0.00 C ATOM 0 H VAL A 52 4.673 -1.636 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 52 1.928 -1.630 -6.140 1.00 0.00 H new ATOM 0 HB VAL A 52 4.199 -1.946 -8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.617 -1.029 -9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.082 -2.603 -9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.304 -1.106 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.852 0.514 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.605 0.521 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.298 0.166 -6.771 1.00 0.00 H new ATOM 800 N GLN A 53 3.330 -4.483 -7.182 1.00 0.00 N ATOM 801 CA GLN A 53 3.015 -5.872 -7.477 1.00 0.00 C ATOM 802 C GLN A 53 2.446 -6.550 -6.234 1.00 0.00 C ATOM 803 O GLN A 53 1.476 -7.290 -6.375 1.00 0.00 O ATOM 804 CB GLN A 53 4.220 -6.619 -8.064 1.00 0.00 C ATOM 805 CG GLN A 53 4.580 -6.121 -9.477 1.00 0.00 C ATOM 806 CD GLN A 53 3.543 -6.509 -10.538 1.00 0.00 C ATOM 807 OE1 GLN A 53 3.287 -7.689 -10.775 1.00 0.00 O ATOM 808 NE2 GLN A 53 2.930 -5.562 -11.232 1.00 0.00 N ATOM 0 H GLN A 53 4.312 -4.240 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 53 2.248 -5.901 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.080 -6.493 -7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.001 -7.686 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.682 -5.036 -9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.551 -6.527 -9.762 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.133 -4.580 -11.045 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.254 -5.815 -11.953 1.00 0.00 H new ATOM 817 N ALA A 54 2.964 -6.254 -5.030 1.00 0.00 N ATOM 818 CA ALA A 54 2.439 -6.865 -3.818 1.00 0.00 C ATOM 819 C ALA A 54 0.927 -6.654 -3.732 1.00 0.00 C ATOM 820 O ALA A 54 0.241 -7.624 -3.398 1.00 0.00 O ATOM 821 CB ALA A 54 3.143 -6.368 -2.549 1.00 0.00 C ATOM 0 H ALA A 54 3.735 -5.603 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 54 2.644 -7.934 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.710 -6.858 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.206 -6.603 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.014 -5.289 -2.460 1.00 0.00 H new ATOM 827 N VAL A 55 0.404 -5.449 -4.006 1.00 0.00 N ATOM 828 CA VAL A 55 -1.051 -5.216 -3.962 1.00 0.00 C ATOM 829 C VAL A 55 -1.744 -5.639 -5.271 1.00 0.00 C ATOM 830 O VAL A 55 -2.889 -6.087 -5.223 1.00 0.00 O ATOM 831 CB VAL A 55 -1.424 -3.800 -3.485 1.00 0.00 C ATOM 832 CG1 VAL A 55 -1.017 -3.614 -2.017 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.812 -2.675 -4.317 1.00 0.00 C ATOM 0 H VAL A 55 0.957 -4.630 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.450 -5.875 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.505 -3.727 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.285 -2.610 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.536 -4.347 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.060 -3.753 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.125 -1.712 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.275 -2.747 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.149 -2.762 -5.350 1.00 0.00 H new ATOM 843 N GLU A 56 -1.086 -5.524 -6.428 1.00 0.00 N ATOM 844 CA GLU A 56 -1.620 -5.909 -7.736 1.00 0.00 C ATOM 845 C GLU A 56 -2.027 -7.380 -7.689 1.00 0.00 C ATOM 846 O GLU A 56 -3.109 -7.745 -8.144 1.00 0.00 O ATOM 847 CB GLU A 56 -0.544 -5.691 -8.819 1.00 0.00 C ATOM 848 CG GLU A 56 -1.024 -5.827 -10.277 1.00 0.00 C ATOM 849 CD GLU A 56 -1.543 -4.543 -10.935 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.424 -3.441 -10.354 1.00 0.00 O ATOM 851 OE2 GLU A 56 -1.985 -4.625 -12.105 1.00 0.00 O ATOM 0 H GLU A 56 -0.139 -5.149 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.490 -5.298 -7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.119 -4.696 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.262 -6.406 -8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.198 -6.211 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.816 -6.575 -10.310 1.00 0.00 H new ATOM 858 N GLU A 57 -1.169 -8.222 -7.113 1.00 0.00 N ATOM 859 CA GLU A 57 -1.381 -9.654 -6.984 1.00 0.00 C ATOM 860 C GLU A 57 -2.535 -9.964 -6.030 1.00 0.00 C ATOM 861 O GLU A 57 -3.143 -11.022 -6.163 1.00 0.00 O ATOM 862 CB GLU A 57 -0.079 -10.317 -6.525 1.00 0.00 C ATOM 863 CG GLU A 57 1.006 -10.229 -7.609 1.00 0.00 C ATOM 864 CD GLU A 57 2.342 -10.724 -7.073 1.00 0.00 C ATOM 865 OE1 GLU A 57 2.591 -11.952 -7.141 1.00 0.00 O ATOM 866 OE2 GLU A 57 3.167 -9.908 -6.617 1.00 0.00 O ATOM 0 H GLU A 57 -0.283 -7.912 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.662 -10.061 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.275 -9.835 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.268 -11.362 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.712 -10.824 -8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.104 -9.198 -7.950 1.00 0.00 H new ATOM 873 N GLU A 58 -2.845 -9.090 -5.066 1.00 0.00 N ATOM 874 CA GLU A 58 -3.962 -9.335 -4.159 1.00 0.00 C ATOM 875 C GLU A 58 -5.266 -9.198 -4.942 1.00 0.00 C ATOM 876 O GLU A 58 -6.211 -9.941 -4.667 1.00 0.00 O ATOM 877 CB GLU A 58 -4.011 -8.324 -3.004 1.00 0.00 C ATOM 878 CG GLU A 58 -2.878 -8.440 -1.990 1.00 0.00 C ATOM 879 CD GLU A 58 -2.843 -9.793 -1.285 1.00 0.00 C ATOM 880 OE1 GLU A 58 -3.914 -10.310 -0.899 1.00 0.00 O ATOM 881 OE2 GLU A 58 -1.719 -10.306 -1.092 1.00 0.00 O ATOM 0 H GLU A 58 -2.343 -8.218 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.831 -10.334 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.001 -7.318 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.959 -8.441 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.927 -8.276 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.983 -7.651 -1.245 1.00 0.00 H new ATOM 888 N GLY A 59 -5.306 -8.248 -5.882 1.00 0.00 N ATOM 889 CA GLY A 59 -6.447 -7.944 -6.728 1.00 0.00 C ATOM 890 C GLY A 59 -6.898 -6.488 -6.595 1.00 0.00 C ATOM 891 O GLY A 59 -8.096 -6.229 -6.715 1.00 0.00 O ATOM 0 H GLY A 59 -4.505 -7.648 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.190 -8.149 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.275 -8.604 -6.468 1.00 0.00 H new ATOM 895 N TYR A 60 -5.992 -5.545 -6.310 1.00 0.00 N ATOM 896 CA TYR A 60 -6.294 -4.116 -6.167 1.00 0.00 C ATOM 897 C TYR A 60 -5.486 -3.322 -7.202 1.00 0.00 C ATOM 898 O TYR A 60 -4.606 -3.901 -7.847 1.00 0.00 O ATOM 899 CB TYR A 60 -6.039 -3.677 -4.721 1.00 0.00 C ATOM 900 CG TYR A 60 -6.758 -4.529 -3.684 1.00 0.00 C ATOM 901 CD1 TYR A 60 -8.165 -4.518 -3.604 1.00 0.00 C ATOM 902 CD2 TYR A 60 -6.017 -5.346 -2.807 1.00 0.00 C ATOM 903 CE1 TYR A 60 -8.830 -5.324 -2.660 1.00 0.00 C ATOM 904 CE2 TYR A 60 -6.675 -6.140 -1.850 1.00 0.00 C ATOM 905 CZ TYR A 60 -8.086 -6.141 -1.779 1.00 0.00 C ATOM 906 OH TYR A 60 -8.704 -6.882 -0.818 1.00 0.00 O ATOM 0 H TYR A 60 -5.005 -5.760 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.347 -3.917 -6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.967 -3.710 -4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.352 -2.639 -4.606 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.736 -3.888 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.939 -5.363 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.909 -5.318 -2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.101 -6.750 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.033 -7.382 -0.308 1.00 0.00 H new ATOM 916 N LYS A 61 -5.725 -2.008 -7.357 1.00 0.00 N ATOM 917 CA LYS A 61 -5.013 -1.206 -8.357 1.00 0.00 C ATOM 918 C LYS A 61 -4.277 -0.018 -7.758 1.00 0.00 C ATOM 919 O LYS A 61 -4.866 1.031 -7.516 1.00 0.00 O ATOM 920 CB LYS A 61 -5.984 -0.810 -9.476 1.00 0.00 C ATOM 921 CG LYS A 61 -5.209 -0.146 -10.620 1.00 0.00 C ATOM 922 CD LYS A 61 -5.954 -0.293 -11.949 1.00 0.00 C ATOM 923 CE LYS A 61 -5.161 0.326 -13.103 1.00 0.00 C ATOM 924 NZ LYS A 61 -3.850 -0.328 -13.277 1.00 0.00 N ATOM 0 H LYS A 61 -6.403 -1.484 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.222 -1.820 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.510 -1.691 -9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.740 -0.126 -9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.061 0.911 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.220 -0.596 -10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.133 -1.349 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.930 0.188 -11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.735 0.241 -14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.015 1.390 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.461 -0.082 -14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.199 -0.004 -12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.965 -1.359 -13.211 1.00 0.00 H new ATOM 938 N ALA A 62 -2.971 -0.165 -7.558 1.00 0.00 N ATOM 939 CA ALA A 62 -2.109 0.852 -7.000 1.00 0.00 C ATOM 940 C ALA A 62 -1.180 1.454 -8.045 1.00 0.00 C ATOM 941 O ALA A 62 -0.914 0.857 -9.092 1.00 0.00 O ATOM 942 CB ALA A 62 -1.302 0.229 -5.866 1.00 0.00 C ATOM 0 H ALA A 62 -2.475 -1.026 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.727 1.668 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.644 0.982 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.981 -0.146 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.703 -0.595 -6.255 1.00 0.00 H new ATOM 948 N GLU A 63 -0.638 2.635 -7.756 1.00 0.00 N ATOM 949 CA GLU A 63 0.271 3.368 -8.624 1.00 0.00 C ATOM 950 C GLU A 63 1.134 4.275 -7.746 1.00 0.00 C ATOM 951 O GLU A 63 0.614 4.954 -6.856 1.00 0.00 O ATOM 952 CB GLU A 63 -0.566 4.111 -9.681 1.00 0.00 C ATOM 953 CG GLU A 63 0.253 4.644 -10.863 1.00 0.00 C ATOM 954 CD GLU A 63 -0.571 4.722 -12.157 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.769 5.089 -12.101 1.00 0.00 O ATOM 956 OE2 GLU A 63 -0.026 4.416 -13.246 1.00 0.00 O ATOM 0 H GLU A 63 -0.828 3.122 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 63 0.955 2.720 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.335 3.438 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.079 4.945 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.636 5.635 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.117 3.999 -11.024 1.00 0.00 H new ATOM 963 N VAL A 64 2.458 4.240 -7.927 1.00 0.00 N ATOM 964 CA VAL A 64 3.361 5.063 -7.122 1.00 0.00 C ATOM 965 C VAL A 64 3.381 6.519 -7.577 1.00 0.00 C ATOM 966 O VAL A 64 3.087 6.819 -8.738 1.00 0.00 O ATOM 967 CB VAL A 64 4.795 4.493 -7.105 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.857 3.276 -6.181 1.00 0.00 C ATOM 969 CG2 VAL A 64 5.375 4.121 -8.478 1.00 0.00 C ATOM 0 H VAL A 64 2.924 3.654 -8.620 1.00 0.00 H new ATOM 0 HA VAL A 64 2.967 5.036 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 64 5.418 5.308 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.871 2.877 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.575 3.572 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.169 2.511 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.385 3.731 -8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.748 3.361 -8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.404 5.007 -9.113 1.00 0.00 H new ATOM 979 N LEU A 65 3.762 7.396 -6.647 1.00 0.00 N ATOM 980 CA LEU A 65 3.911 8.835 -6.812 1.00 0.00 C ATOM 981 C LEU A 65 5.319 9.196 -6.325 1.00 0.00 C ATOM 982 O LEU A 65 5.975 8.379 -5.666 1.00 0.00 O ATOM 983 CB LEU A 65 2.815 9.612 -6.045 1.00 0.00 C ATOM 984 CG LEU A 65 1.934 10.518 -6.922 1.00 0.00 C ATOM 985 CD1 LEU A 65 2.768 11.545 -7.702 1.00 0.00 C ATOM 986 CD2 LEU A 65 1.051 9.691 -7.861 1.00 0.00 C ATOM 0 H LEU A 65 3.988 7.096 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 65 3.789 9.118 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.175 8.896 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.291 10.224 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 65 1.279 11.077 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.108 12.165 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.316 12.176 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.473 11.024 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.440 10.359 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.680 9.084 -8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.403 9.041 -7.273 1.00 0.00 H new ATOM 998 N ALA A 66 5.795 10.406 -6.619 1.00 0.00 N ATOM 999 CA ALA A 66 7.114 10.901 -6.244 1.00 0.00 C ATOM 1000 C ALA A 66 6.977 12.265 -5.616 1.00 0.00 C ATOM 1001 O ALA A 66 6.045 13.011 -5.977 1.00 0.00 O ATOM 1002 CB ALA A 66 8.022 10.971 -7.473 1.00 0.00 C ATOM 0 H ALA A 66 5.251 11.091 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 66 7.564 10.218 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.004 11.342 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.125 9.976 -7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.585 11.645 -8.210 1.00 0.00 H new TER 1008 ALA A 66