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 Single : A 1 MET CE :methyl -172:sc= -0.0074 (180deg=-0.115) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.0872 (180deg=-0.218) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.09) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 43:sc= 0.0653 USER MOD Single : A 12 ASN : amide:sc=-0.000504 X(o=-0.0005,f=-0.35) USER MOD Single : A 13 HIS : no HD1:sc=-0.00481 X(o=-0.0048,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 177:sc= 0 (180deg=-0.0153) USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.191 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc=-0.00439 (180deg=-0.0883) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0301) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 38:sc= 0.011 USER MOD Single : A 37 LYS NZ :NH3+ 147:sc= 1.22 (180deg=0.399) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 0.412 (180deg=-0.0223) USER MOD Single : A 53 GLN : amide:sc= 0.139 X(o=0.14,f=-0.18) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.921 6.442 0.590 1.00 0.00 N ATOM 2 CA MET A 1 10.150 7.617 1.026 1.00 0.00 C ATOM 3 C MET A 1 9.338 8.050 -0.185 1.00 0.00 C ATOM 4 O MET A 1 9.806 8.868 -0.973 1.00 0.00 O ATOM 5 CB MET A 1 11.057 8.760 1.524 1.00 0.00 C ATOM 6 CG MET A 1 11.912 8.433 2.749 1.00 0.00 C ATOM 7 SD MET A 1 12.869 9.818 3.433 1.00 0.00 S ATOM 8 CE MET A 1 13.922 10.268 2.025 1.00 0.00 C ATOM 0 H1 MET A 1 11.600 6.178 1.332 1.00 0.00 H new ATOM 0 H2 MET A 1 10.273 5.647 0.414 1.00 0.00 H new ATOM 0 H3 MET A 1 11.435 6.669 -0.285 1.00 0.00 H new ATOM 0 HA MET A 1 9.513 7.366 1.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.718 9.058 0.710 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.432 9.622 1.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.260 8.044 3.531 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.603 7.633 2.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.658 11.006 2.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.435 9.380 1.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.306 10.688 1.230 1.00 0.00 H new ATOM 18 N LEU A 2 8.174 7.442 -0.406 1.00 0.00 N ATOM 19 CA LEU A 2 7.311 7.745 -1.544 1.00 0.00 C ATOM 20 C LEU A 2 5.842 7.588 -1.163 1.00 0.00 C ATOM 21 O LEU A 2 5.525 6.995 -0.127 1.00 0.00 O ATOM 22 CB LEU A 2 7.743 6.900 -2.756 1.00 0.00 C ATOM 23 CG LEU A 2 7.643 5.371 -2.584 1.00 0.00 C ATOM 24 CD1 LEU A 2 6.247 4.845 -2.930 1.00 0.00 C ATOM 25 CD2 LEU A 2 8.666 4.683 -3.492 1.00 0.00 C ATOM 0 H LEU A 2 7.800 6.718 0.207 1.00 0.00 H new ATOM 0 HA LEU A 2 7.422 8.789 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.133 7.190 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.775 7.152 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 2 7.844 5.147 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.222 3.764 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.510 5.310 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.014 5.087 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.593 3.602 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.464 4.944 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.670 5.012 -3.224 1.00 0.00 H new ATOM 37 N LYS A 3 4.946 8.110 -2.008 1.00 0.00 N ATOM 38 CA LYS A 3 3.504 8.085 -1.803 1.00 0.00 C ATOM 39 C LYS A 3 2.809 7.178 -2.829 1.00 0.00 C ATOM 40 O LYS A 3 2.609 7.526 -3.995 1.00 0.00 O ATOM 41 CB LYS A 3 2.985 9.541 -1.753 1.00 0.00 C ATOM 42 CG LYS A 3 3.372 10.440 -2.950 1.00 0.00 C ATOM 43 CD LYS A 3 2.766 11.853 -2.894 1.00 0.00 C ATOM 44 CE LYS A 3 1.232 11.794 -2.886 1.00 0.00 C ATOM 45 NZ LYS A 3 0.591 13.116 -3.008 1.00 0.00 N ATOM 0 H LYS A 3 5.217 8.573 -2.875 1.00 0.00 H new ATOM 0 HA LYS A 3 3.255 7.631 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.898 9.516 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.355 10.007 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.458 10.523 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.053 9.956 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.118 12.368 -2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.107 12.433 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.897 11.160 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.899 11.322 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.443 13.003 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.883 13.718 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.880 13.561 -3.903 1.00 0.00 H new ATOM 59 N LEU A 4 2.397 5.998 -2.378 1.00 0.00 N ATOM 60 CA LEU A 4 1.705 4.960 -3.141 1.00 0.00 C ATOM 61 C LEU A 4 0.205 5.067 -2.850 1.00 0.00 C ATOM 62 O LEU A 4 -0.179 5.591 -1.801 1.00 0.00 O ATOM 63 CB LEU A 4 2.320 3.606 -2.732 1.00 0.00 C ATOM 64 CG LEU A 4 1.905 2.386 -3.580 1.00 0.00 C ATOM 65 CD1 LEU A 4 3.049 1.363 -3.578 1.00 0.00 C ATOM 66 CD2 LEU A 4 0.651 1.683 -3.045 1.00 0.00 C ATOM 0 H LEU A 4 2.546 5.721 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 4 1.823 5.068 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.406 3.697 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.054 3.408 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 4 1.686 2.758 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.764 0.497 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.944 1.818 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.253 1.047 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.410 0.833 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.836 1.333 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.185 2.383 -3.041 1.00 0.00 H new ATOM 78 N LYS A 5 -0.673 4.738 -3.796 1.00 0.00 N ATOM 79 CA LYS A 5 -2.124 4.771 -3.607 1.00 0.00 C ATOM 80 C LYS A 5 -2.733 3.444 -4.050 1.00 0.00 C ATOM 81 O LYS A 5 -2.203 2.824 -4.972 1.00 0.00 O ATOM 82 CB LYS A 5 -2.801 5.980 -4.275 1.00 0.00 C ATOM 83 CG LYS A 5 -4.139 6.240 -3.553 1.00 0.00 C ATOM 84 CD LYS A 5 -5.068 7.205 -4.282 1.00 0.00 C ATOM 85 CE LYS A 5 -6.333 7.484 -3.458 1.00 0.00 C ATOM 86 NZ LYS A 5 -7.166 6.279 -3.242 1.00 0.00 N ATOM 0 H LYS A 5 -0.393 4.436 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.314 4.904 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.158 6.858 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.972 5.784 -5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.656 5.290 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.931 6.635 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.544 8.141 -4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.345 6.786 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.045 7.897 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.929 8.243 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.995 6.529 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.482 5.906 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.607 5.554 -2.748 1.00 0.00 H new ATOM 100 N VAL A 6 -3.722 2.942 -3.310 1.00 0.00 N ATOM 101 CA VAL A 6 -4.437 1.716 -3.633 1.00 0.00 C ATOM 102 C VAL A 6 -5.910 2.131 -3.757 1.00 0.00 C ATOM 103 O VAL A 6 -6.400 2.961 -2.976 1.00 0.00 O ATOM 104 CB VAL A 6 -4.174 0.593 -2.613 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.587 -0.750 -3.236 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.695 0.509 -2.197 1.00 0.00 C ATOM 0 H VAL A 6 -4.052 3.388 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.092 1.271 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.758 0.816 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.405 -1.553 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.647 -0.723 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.002 -0.927 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.565 -0.299 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.080 0.314 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.391 1.452 -1.743 1.00 0.00 H new ATOM 116 N GLU A 7 -6.625 1.535 -4.708 1.00 0.00 N ATOM 117 CA GLU A 7 -8.013 1.797 -5.025 1.00 0.00 C ATOM 118 C GLU A 7 -8.751 0.481 -5.305 1.00 0.00 C ATOM 119 O GLU A 7 -8.386 -0.294 -6.200 1.00 0.00 O ATOM 120 CB GLU A 7 -8.040 2.730 -6.250 1.00 0.00 C ATOM 121 CG GLU A 7 -9.344 3.512 -6.357 1.00 0.00 C ATOM 122 CD GLU A 7 -9.421 4.597 -5.283 1.00 0.00 C ATOM 123 OE1 GLU A 7 -8.707 5.621 -5.397 1.00 0.00 O ATOM 124 OE2 GLU A 7 -10.171 4.401 -4.295 1.00 0.00 O ATOM 0 H GLU A 7 -6.221 0.816 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.521 2.275 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.205 3.428 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.898 2.140 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.420 3.967 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.190 2.832 -6.254 1.00 0.00 H new ATOM 131 N GLY A 8 -9.816 0.229 -4.551 1.00 0.00 N ATOM 132 CA GLY A 8 -10.649 -0.954 -4.664 1.00 0.00 C ATOM 133 C GLY A 8 -12.052 -0.595 -4.219 1.00 0.00 C ATOM 134 O GLY A 8 -12.882 -0.213 -5.039 1.00 0.00 O ATOM 0 H GLY A 8 -10.130 0.868 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.658 -1.315 -5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.250 -1.759 -4.047 1.00 0.00 H new ATOM 138 N MET A 9 -12.326 -0.721 -2.921 1.00 0.00 N ATOM 139 CA MET A 9 -13.621 -0.395 -2.342 1.00 0.00 C ATOM 140 C MET A 9 -13.396 0.238 -0.984 1.00 0.00 C ATOM 141 O MET A 9 -12.656 -0.319 -0.168 1.00 0.00 O ATOM 142 CB MET A 9 -14.495 -1.631 -2.139 1.00 0.00 C ATOM 143 CG MET A 9 -14.792 -2.406 -3.417 1.00 0.00 C ATOM 144 SD MET A 9 -16.099 -3.631 -3.162 1.00 0.00 S ATOM 145 CE MET A 9 -16.201 -4.288 -4.840 1.00 0.00 C ATOM 0 H MET A 9 -11.646 -1.056 -2.238 1.00 0.00 H new ATOM 0 HA MET A 9 -14.130 0.278 -3.032 1.00 0.00 H new ATOM 0 HB2 MET A 9 -14.003 -2.297 -1.430 1.00 0.00 H new ATOM 0 HB3 MET A 9 -15.438 -1.324 -1.686 1.00 0.00 H new ATOM 0 HG2 MET A 9 -15.090 -1.712 -4.203 1.00 0.00 H new ATOM 0 HG3 MET A 9 -13.886 -2.905 -3.760 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.964 -5.066 -4.881 1.00 0.00 H new ATOM 0 HE2 MET A 9 -16.464 -3.486 -5.530 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.237 -4.710 -5.125 1.00 0.00 H new ATOM 155 N THR A 10 -14.068 1.355 -0.724 1.00 0.00 N ATOM 156 CA THR A 10 -13.963 2.089 0.526 1.00 0.00 C ATOM 157 C THR A 10 -14.721 1.353 1.642 1.00 0.00 C ATOM 158 O THR A 10 -15.890 1.629 1.921 1.00 0.00 O ATOM 159 CB THR A 10 -14.434 3.537 0.315 1.00 0.00 C ATOM 160 OG1 THR A 10 -13.937 4.036 -0.921 1.00 0.00 O ATOM 161 CG2 THR A 10 -13.927 4.396 1.467 1.00 0.00 C ATOM 0 H THR A 10 -14.712 1.781 -1.391 1.00 0.00 H new ATOM 0 HA THR A 10 -12.923 2.139 0.849 1.00 0.00 H new ATOM 0 HB THR A 10 -15.523 3.567 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.243 4.958 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.256 5.425 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.324 4.014 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.838 4.364 1.493 1.00 0.00 H new ATOM 169 N CYS A 11 -14.080 0.347 2.227 1.00 0.00 N ATOM 170 CA CYS A 11 -14.589 -0.482 3.305 1.00 0.00 C ATOM 171 C CYS A 11 -13.394 -0.981 4.129 1.00 0.00 C ATOM 172 O CYS A 11 -12.229 -0.733 3.788 1.00 0.00 O ATOM 173 CB CYS A 11 -15.444 -1.618 2.719 1.00 0.00 C ATOM 174 SG CYS A 11 -17.199 -1.212 2.845 1.00 0.00 S ATOM 0 H CYS A 11 -13.139 0.076 1.943 1.00 0.00 H new ATOM 0 HA CYS A 11 -15.242 0.079 3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -15.176 -1.783 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -15.240 -2.547 3.251 1.00 0.00 H new ATOM 0 HG CYS A 11 -17.381 0.034 2.520 1.00 0.00 H new ATOM 180 N ASN A 12 -13.678 -1.656 5.245 1.00 0.00 N ATOM 181 CA ASN A 12 -12.664 -2.190 6.154 1.00 0.00 C ATOM 182 C ASN A 12 -11.856 -3.322 5.519 1.00 0.00 C ATOM 183 O ASN A 12 -10.674 -3.455 5.839 1.00 0.00 O ATOM 184 CB ASN A 12 -13.290 -2.666 7.479 1.00 0.00 C ATOM 185 CG ASN A 12 -13.782 -1.524 8.355 1.00 0.00 C ATOM 186 OD1 ASN A 12 -13.096 -0.515 8.510 1.00 0.00 O ATOM 187 ND2 ASN A 12 -14.959 -1.623 8.946 1.00 0.00 N ATOM 0 H ASN A 12 -14.633 -1.849 5.546 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.979 -1.369 6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.124 -3.333 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.553 -3.248 8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.301 -0.862 9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.526 -2.461 8.816 1.00 0.00 H new ATOM 194 N HIS A 13 -12.440 -4.120 4.617 1.00 0.00 N ATOM 195 CA HIS A 13 -11.709 -5.212 3.971 1.00 0.00 C ATOM 196 C HIS A 13 -10.511 -4.694 3.167 1.00 0.00 C ATOM 197 O HIS A 13 -9.484 -5.373 3.132 1.00 0.00 O ATOM 198 CB HIS A 13 -12.639 -6.079 3.120 1.00 0.00 C ATOM 199 CG HIS A 13 -13.565 -6.912 3.962 1.00 0.00 C ATOM 200 ND1 HIS A 13 -14.912 -6.705 4.121 1.00 0.00 N ATOM 201 CD2 HIS A 13 -13.201 -7.965 4.758 1.00 0.00 C ATOM 202 CE1 HIS A 13 -15.357 -7.611 5.001 1.00 0.00 C ATOM 203 NE2 HIS A 13 -14.352 -8.400 5.433 1.00 0.00 N ATOM 0 H HIS A 13 -13.412 -4.029 4.320 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.308 -5.849 4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.226 -5.440 2.460 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.043 -6.732 2.483 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.210 -8.384 4.850 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.384 -7.698 5.322 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -14.416 -9.158 6.112 1.00 0.00 H new ATOM 211 N CYS A 14 -10.597 -3.487 2.600 1.00 0.00 N ATOM 212 CA CYS A 14 -9.521 -2.869 1.840 1.00 0.00 C ATOM 213 C CYS A 14 -8.336 -2.669 2.781 1.00 0.00 C ATOM 214 O CYS A 14 -7.227 -3.084 2.460 1.00 0.00 O ATOM 215 CB CYS A 14 -9.999 -1.521 1.283 1.00 0.00 C ATOM 216 SG CYS A 14 -8.710 -0.682 0.317 1.00 0.00 S ATOM 0 H CYS A 14 -11.434 -2.907 2.661 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.225 -3.500 1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.876 -1.680 0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.309 -0.879 2.107 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.170 0.449 -0.130 1.00 0.00 H new ATOM 222 N VAL A 15 -8.587 -2.061 3.947 1.00 0.00 N ATOM 223 CA VAL A 15 -7.594 -1.773 4.978 1.00 0.00 C ATOM 224 C VAL A 15 -6.843 -3.066 5.307 1.00 0.00 C ATOM 225 O VAL A 15 -5.611 -3.108 5.311 1.00 0.00 O ATOM 226 CB VAL A 15 -8.295 -1.158 6.219 1.00 0.00 C ATOM 227 CG1 VAL A 15 -7.324 -0.622 7.279 1.00 0.00 C ATOM 228 CG2 VAL A 15 -9.252 -0.018 5.825 1.00 0.00 C ATOM 0 H VAL A 15 -9.523 -1.746 4.203 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.867 -1.040 4.628 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.849 -1.989 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.889 -0.209 8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.691 -1.434 7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.701 0.158 6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.724 0.387 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.692 0.770 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.019 -0.403 5.153 1.00 0.00 H new ATOM 238 N MET A 16 -7.597 -4.136 5.568 1.00 0.00 N ATOM 239 CA MET A 16 -7.041 -5.436 5.888 1.00 0.00 C ATOM 240 C MET A 16 -6.180 -5.944 4.727 1.00 0.00 C ATOM 241 O MET A 16 -5.025 -6.300 4.947 1.00 0.00 O ATOM 242 CB MET A 16 -8.187 -6.421 6.176 1.00 0.00 C ATOM 243 CG MET A 16 -8.936 -6.120 7.482 1.00 0.00 C ATOM 244 SD MET A 16 -10.594 -6.868 7.605 1.00 0.00 S ATOM 245 CE MET A 16 -10.208 -8.627 7.380 1.00 0.00 C ATOM 0 H MET A 16 -8.617 -4.116 5.561 1.00 0.00 H new ATOM 0 HA MET A 16 -6.408 -5.352 6.772 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.894 -6.397 5.347 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.784 -7.433 6.222 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.332 -6.470 8.319 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.032 -5.039 7.588 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.119 -9.216 7.484 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.787 -8.783 6.387 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.486 -8.940 8.134 1.00 0.00 H new ATOM 255 N ALA A 17 -6.697 -5.933 3.496 1.00 0.00 N ATOM 256 CA ALA A 17 -5.987 -6.417 2.322 1.00 0.00 C ATOM 257 C ALA A 17 -4.681 -5.668 2.054 1.00 0.00 C ATOM 258 O ALA A 17 -3.632 -6.310 1.944 1.00 0.00 O ATOM 259 CB ALA A 17 -6.909 -6.358 1.097 1.00 0.00 C ATOM 0 H ALA A 17 -7.632 -5.582 3.290 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.705 -7.451 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.373 -6.721 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.786 -6.982 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.225 -5.328 0.928 1.00 0.00 H new ATOM 265 N VAL A 18 -4.700 -4.339 1.983 1.00 0.00 N ATOM 266 CA VAL A 18 -3.501 -3.561 1.706 1.00 0.00 C ATOM 267 C VAL A 18 -2.471 -3.721 2.819 1.00 0.00 C ATOM 268 O VAL A 18 -1.319 -4.046 2.520 1.00 0.00 O ATOM 269 CB VAL A 18 -3.822 -2.097 1.336 1.00 0.00 C ATOM 270 CG1 VAL A 18 -4.816 -2.040 0.170 1.00 0.00 C ATOM 271 CG2 VAL A 18 -4.353 -1.244 2.488 1.00 0.00 C ATOM 0 H VAL A 18 -5.541 -3.777 2.115 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.032 -3.968 0.810 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.862 -1.667 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.029 -1.000 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.386 -2.537 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.740 -2.542 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.549 -0.233 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.277 -1.680 2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.612 -1.210 3.287 1.00 0.00 H new ATOM 281 N THR A 19 -2.853 -3.579 4.093 1.00 0.00 N ATOM 282 CA THR A 19 -1.877 -3.722 5.164 1.00 0.00 C ATOM 283 C THR A 19 -1.317 -5.149 5.180 1.00 0.00 C ATOM 284 O THR A 19 -0.112 -5.337 5.348 1.00 0.00 O ATOM 285 CB THR A 19 -2.463 -3.255 6.501 1.00 0.00 C ATOM 286 OG1 THR A 19 -2.963 -1.948 6.313 1.00 0.00 O ATOM 287 CG2 THR A 19 -1.367 -3.219 7.570 1.00 0.00 C ATOM 0 H THR A 19 -3.804 -3.371 4.396 1.00 0.00 H new ATOM 0 HA THR A 19 -1.025 -3.067 4.981 1.00 0.00 H new ATOM 0 HB THR A 19 -3.249 -3.936 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.884 -1.995 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.793 -2.886 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.946 -4.217 7.693 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.582 -2.529 7.263 1.00 0.00 H new ATOM 295 N LYS A 20 -2.136 -6.191 4.994 1.00 0.00 N ATOM 296 CA LYS A 20 -1.616 -7.560 4.976 1.00 0.00 C ATOM 297 C LYS A 20 -0.670 -7.753 3.785 1.00 0.00 C ATOM 298 O LYS A 20 0.285 -8.528 3.916 1.00 0.00 O ATOM 299 CB LYS A 20 -2.742 -8.607 4.971 1.00 0.00 C ATOM 300 CG LYS A 20 -3.592 -8.694 6.257 1.00 0.00 C ATOM 301 CD LYS A 20 -2.920 -9.341 7.476 1.00 0.00 C ATOM 302 CE LYS A 20 -2.056 -8.389 8.315 1.00 0.00 C ATOM 303 NZ LYS A 20 -2.813 -7.300 8.975 1.00 0.00 N ATOM 0 H LYS A 20 -3.144 -6.114 4.856 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.052 -7.713 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.407 -8.393 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.300 -9.586 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.900 -7.685 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.499 -9.254 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.693 -9.767 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.298 -10.168 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.535 -8.967 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.293 -7.948 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.195 -6.808 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.148 -6.626 8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.628 -7.701 9.481 1.00 0.00 H new ATOM 317 N ALA A 21 -0.882 -7.048 2.665 1.00 0.00 N ATOM 318 CA ALA A 21 -0.014 -7.161 1.500 1.00 0.00 C ATOM 319 C ALA A 21 1.357 -6.560 1.825 1.00 0.00 C ATOM 320 O ALA A 21 2.377 -7.229 1.663 1.00 0.00 O ATOM 321 CB ALA A 21 -0.629 -6.421 0.302 1.00 0.00 C ATOM 0 H ALA A 21 -1.654 -6.391 2.548 1.00 0.00 H new ATOM 0 HA ALA A 21 0.098 -8.214 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.031 -6.514 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.600 -6.856 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.754 -5.367 0.551 1.00 0.00 H new ATOM 327 N LEU A 22 1.389 -5.323 2.342 1.00 0.00 N ATOM 328 CA LEU A 22 2.639 -4.635 2.686 1.00 0.00 C ATOM 329 C LEU A 22 3.378 -5.380 3.797 1.00 0.00 C ATOM 330 O LEU A 22 4.606 -5.462 3.782 1.00 0.00 O ATOM 331 CB LEU A 22 2.384 -3.163 3.058 1.00 0.00 C ATOM 332 CG LEU A 22 2.401 -2.230 1.828 1.00 0.00 C ATOM 333 CD1 LEU A 22 1.234 -2.482 0.868 1.00 0.00 C ATOM 334 CD2 LEU A 22 2.346 -0.764 2.263 1.00 0.00 C ATOM 0 H LEU A 22 0.551 -4.774 2.532 1.00 0.00 H new ATOM 0 HA LEU A 22 3.280 -4.635 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.420 -3.080 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.142 -2.835 3.769 1.00 0.00 H new ATOM 0 HG LEU A 22 3.332 -2.448 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.302 -1.795 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.277 -3.509 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.291 -2.322 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.359 -0.122 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.431 -0.586 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.209 -0.538 2.889 1.00 0.00 H new ATOM 346 N LYS A 23 2.647 -6.003 4.728 1.00 0.00 N ATOM 347 CA LYS A 23 3.212 -6.775 5.832 1.00 0.00 C ATOM 348 C LYS A 23 4.033 -7.976 5.331 1.00 0.00 C ATOM 349 O LYS A 23 4.671 -8.648 6.143 1.00 0.00 O ATOM 350 CB LYS A 23 2.078 -7.137 6.811 1.00 0.00 C ATOM 351 CG LYS A 23 2.505 -8.062 7.961 1.00 0.00 C ATOM 352 CD LYS A 23 1.511 -8.043 9.120 1.00 0.00 C ATOM 353 CE LYS A 23 1.926 -8.992 10.248 1.00 0.00 C ATOM 354 NZ LYS A 23 1.851 -10.416 9.855 1.00 0.00 N ATOM 0 H LYS A 23 1.627 -5.982 4.732 1.00 0.00 H new ATOM 0 HA LYS A 23 3.937 -6.175 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.671 -6.218 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.273 -7.617 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.604 -9.081 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.487 -7.758 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.430 -7.029 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.523 -8.324 8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.945 -8.758 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.284 -8.824 11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.027 -11.015 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.906 -10.622 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.568 -10.614 9.128 1.00 0.00 H new ATOM 368 N LYS A 24 4.046 -8.299 4.027 1.00 0.00 N ATOM 369 CA LYS A 24 4.851 -9.415 3.538 1.00 0.00 C ATOM 370 C LYS A 24 6.325 -9.188 3.902 1.00 0.00 C ATOM 371 O LYS A 24 7.019 -10.171 4.151 1.00 0.00 O ATOM 372 CB LYS A 24 4.658 -9.652 2.030 1.00 0.00 C ATOM 373 CG LYS A 24 5.368 -8.613 1.146 1.00 0.00 C ATOM 374 CD LYS A 24 5.301 -8.913 -0.349 1.00 0.00 C ATOM 375 CE LYS A 24 3.875 -8.858 -0.892 1.00 0.00 C ATOM 376 NZ LYS A 24 3.299 -10.182 -1.172 1.00 0.00 N ATOM 0 H LYS A 24 3.515 -7.808 3.308 1.00 0.00 H new ATOM 0 HA LYS A 24 4.510 -10.327 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.028 -10.645 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.592 -9.642 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.925 -7.634 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.414 -8.551 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.920 -8.196 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.720 -9.901 -0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.241 -8.340 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.867 -8.267 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.332 -10.070 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.882 -10.671 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.276 -10.743 -0.296 1.00 0.00 H new ATOM 390 N VAL A 25 6.809 -7.941 3.934 1.00 0.00 N ATOM 391 CA VAL A 25 8.193 -7.633 4.294 1.00 0.00 C ATOM 392 C VAL A 25 8.227 -7.395 5.819 1.00 0.00 C ATOM 393 O VAL A 25 7.180 -7.073 6.397 1.00 0.00 O ATOM 394 CB VAL A 25 8.736 -6.460 3.439 1.00 0.00 C ATOM 395 CG1 VAL A 25 8.405 -6.624 1.947 1.00 0.00 C ATOM 396 CG2 VAL A 25 8.239 -5.085 3.889 1.00 0.00 C ATOM 0 H VAL A 25 6.250 -7.118 3.710 1.00 0.00 H new ATOM 0 HA VAL A 25 8.869 -8.458 4.070 1.00 0.00 H new ATOM 0 HB VAL A 25 9.815 -6.503 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.806 -5.777 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.850 -7.547 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.324 -6.664 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.662 -4.316 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.151 -5.053 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.549 -4.905 4.918 1.00 0.00 H new ATOM 406 N PRO A 26 9.378 -7.520 6.503 1.00 0.00 N ATOM 407 CA PRO A 26 9.472 -7.318 7.949 1.00 0.00 C ATOM 408 C PRO A 26 9.254 -5.843 8.324 1.00 0.00 C ATOM 409 O PRO A 26 8.115 -5.429 8.541 1.00 0.00 O ATOM 410 CB PRO A 26 10.837 -7.890 8.337 1.00 0.00 C ATOM 411 CG PRO A 26 11.675 -7.669 7.080 1.00 0.00 C ATOM 412 CD PRO A 26 10.674 -7.897 5.953 1.00 0.00 C ATOM 0 HA PRO A 26 8.689 -7.829 8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.260 -7.374 9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.772 -8.946 8.598 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.096 -6.664 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.510 -8.367 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.921 -7.293 5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.676 -8.938 5.631 1.00 0.00 H new ATOM 420 N GLY A 27 10.301 -5.027 8.359 1.00 0.00 N ATOM 421 CA GLY A 27 10.253 -3.614 8.686 1.00 0.00 C ATOM 422 C GLY A 27 11.426 -2.988 7.963 1.00 0.00 C ATOM 423 O GLY A 27 12.452 -2.705 8.575 1.00 0.00 O ATOM 0 H GLY A 27 11.246 -5.350 8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.312 -3.169 8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.328 -3.458 9.762 1.00 0.00 H new ATOM 427 N VAL A 28 11.291 -2.837 6.643 1.00 0.00 N ATOM 428 CA VAL A 28 12.331 -2.270 5.792 1.00 0.00 C ATOM 429 C VAL A 28 12.787 -0.902 6.332 1.00 0.00 C ATOM 430 O VAL A 28 13.967 -0.572 6.238 1.00 0.00 O ATOM 431 CB VAL A 28 11.856 -2.326 4.327 1.00 0.00 C ATOM 432 CG1 VAL A 28 10.676 -1.398 4.020 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.010 -2.073 3.368 1.00 0.00 C ATOM 0 H VAL A 28 10.449 -3.108 6.135 1.00 0.00 H new ATOM 0 HA VAL A 28 13.249 -2.857 5.813 1.00 0.00 H new ATOM 0 HB VAL A 28 11.484 -3.340 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.401 -1.495 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.826 -1.672 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.961 -0.366 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.647 -2.118 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.433 -1.087 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.778 -2.832 3.515 1.00 0.00 H new ATOM 443 N GLU A 29 11.863 -0.125 6.908 1.00 0.00 N ATOM 444 CA GLU A 29 12.053 1.176 7.546 1.00 0.00 C ATOM 445 C GLU A 29 10.695 1.580 8.115 1.00 0.00 C ATOM 446 O GLU A 29 10.473 1.388 9.313 1.00 0.00 O ATOM 447 CB GLU A 29 12.711 2.240 6.657 1.00 0.00 C ATOM 448 CG GLU A 29 13.288 3.388 7.494 1.00 0.00 C ATOM 449 CD GLU A 29 14.484 4.099 6.850 1.00 0.00 C ATOM 450 OE1 GLU A 29 14.759 3.939 5.635 1.00 0.00 O ATOM 451 OE2 GLU A 29 15.184 4.832 7.583 1.00 0.00 O ATOM 0 H GLU A 29 10.886 -0.416 6.941 1.00 0.00 H new ATOM 0 HA GLU A 29 12.788 1.092 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.505 1.783 6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.977 2.633 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.501 4.120 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.592 2.997 8.465 1.00 0.00 H new ATOM 458 N LYS A 30 9.749 2.082 7.306 1.00 0.00 N ATOM 459 CA LYS A 30 8.422 2.447 7.816 1.00 0.00 C ATOM 460 C LYS A 30 7.383 2.413 6.705 1.00 0.00 C ATOM 461 O LYS A 30 7.710 2.594 5.537 1.00 0.00 O ATOM 462 CB LYS A 30 8.453 3.824 8.512 1.00 0.00 C ATOM 463 CG LYS A 30 7.169 4.153 9.300 1.00 0.00 C ATOM 464 CD LYS A 30 6.793 3.101 10.359 1.00 0.00 C ATOM 465 CE LYS A 30 5.583 3.559 11.176 1.00 0.00 C ATOM 466 NZ LYS A 30 5.206 2.570 12.208 1.00 0.00 N ATOM 0 H LYS A 30 9.878 2.242 6.307 1.00 0.00 H new ATOM 0 HA LYS A 30 8.134 1.707 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.304 3.858 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.615 4.597 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.294 5.118 9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.342 4.258 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.570 2.152 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.640 2.927 11.022 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.808 4.513 11.653 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.738 3.727 10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.382 2.919 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.967 1.666 11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.003 2.428 12.860 1.00 0.00 H new ATOM 480 N VAL A 31 6.138 2.140 7.072 1.00 0.00 N ATOM 481 CA VAL A 31 4.991 2.069 6.194 1.00 0.00 C ATOM 482 C VAL A 31 3.785 2.536 7.005 1.00 0.00 C ATOM 483 O VAL A 31 3.665 2.170 8.176 1.00 0.00 O ATOM 484 CB VAL A 31 4.773 0.627 5.674 1.00 0.00 C ATOM 485 CG1 VAL A 31 5.667 0.309 4.476 1.00 0.00 C ATOM 486 CG2 VAL A 31 4.961 -0.470 6.735 1.00 0.00 C ATOM 0 H VAL A 31 5.894 1.953 8.045 1.00 0.00 H new ATOM 0 HA VAL A 31 5.141 2.699 5.317 1.00 0.00 H new ATOM 0 HB VAL A 31 3.725 0.615 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.481 -0.712 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.446 1.001 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.713 0.412 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.789 -1.447 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.977 -0.426 7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.251 -0.316 7.547 1.00 0.00 H new ATOM 496 N GLU A 32 2.942 3.375 6.408 1.00 0.00 N ATOM 497 CA GLU A 32 1.716 3.885 7.006 1.00 0.00 C ATOM 498 C GLU A 32 0.674 3.979 5.889 1.00 0.00 C ATOM 499 O GLU A 32 1.034 4.285 4.751 1.00 0.00 O ATOM 500 CB GLU A 32 1.966 5.229 7.704 1.00 0.00 C ATOM 501 CG GLU A 32 0.692 6.028 8.026 1.00 0.00 C ATOM 502 CD GLU A 32 -0.372 5.329 8.890 1.00 0.00 C ATOM 503 OE1 GLU A 32 -0.407 4.079 8.991 1.00 0.00 O ATOM 504 OE2 GLU A 32 -1.204 6.075 9.448 1.00 0.00 O ATOM 0 H GLU A 32 3.101 3.728 5.464 1.00 0.00 H new ATOM 0 HA GLU A 32 1.348 3.218 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.509 5.047 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.611 5.838 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.988 6.948 8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.227 6.317 7.084 1.00 0.00 H new ATOM 511 N VAL A 33 -0.588 3.643 6.147 1.00 0.00 N ATOM 512 CA VAL A 33 -1.673 3.697 5.173 1.00 0.00 C ATOM 513 C VAL A 33 -2.920 4.277 5.847 1.00 0.00 C ATOM 514 O VAL A 33 -3.279 3.816 6.937 1.00 0.00 O ATOM 515 CB VAL A 33 -1.836 2.309 4.515 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.938 1.161 5.534 1.00 0.00 C ATOM 517 CG2 VAL A 33 -3.016 2.242 3.538 1.00 0.00 C ATOM 0 H VAL A 33 -0.891 3.317 7.065 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.459 4.373 4.345 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.916 2.172 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.051 0.214 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.033 1.132 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.802 1.322 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.077 1.242 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.941 2.466 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.870 2.970 2.740 1.00 0.00 H new ATOM 527 N SER A 34 -3.586 5.259 5.229 1.00 0.00 N ATOM 528 CA SER A 34 -4.778 5.872 5.807 1.00 0.00 C ATOM 529 C SER A 34 -6.040 5.410 5.075 1.00 0.00 C ATOM 530 O SER A 34 -6.261 5.727 3.904 1.00 0.00 O ATOM 531 CB SER A 34 -4.620 7.402 5.815 1.00 0.00 C ATOM 532 OG SER A 34 -4.219 7.934 4.566 1.00 0.00 O ATOM 0 H SER A 34 -3.315 5.645 4.325 1.00 0.00 H new ATOM 0 HA SER A 34 -4.891 5.547 6.841 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.567 7.856 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.886 7.680 6.572 1.00 0.00 H new ATOM 0 HG SER A 34 -4.664 7.444 3.844 1.00 0.00 H new ATOM 538 N LEU A 35 -6.938 4.734 5.800 1.00 0.00 N ATOM 539 CA LEU A 35 -8.207 4.226 5.270 1.00 0.00 C ATOM 540 C LEU A 35 -9.147 5.331 4.773 1.00 0.00 C ATOM 541 O LEU A 35 -10.106 5.065 4.050 1.00 0.00 O ATOM 542 CB LEU A 35 -8.939 3.389 6.336 1.00 0.00 C ATOM 543 CG LEU A 35 -9.646 4.170 7.469 1.00 0.00 C ATOM 544 CD1 LEU A 35 -10.525 3.201 8.261 1.00 0.00 C ATOM 545 CD2 LEU A 35 -8.669 4.845 8.441 1.00 0.00 C ATOM 0 H LEU A 35 -6.801 4.521 6.788 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.945 3.609 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.683 2.772 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.217 2.710 6.790 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.232 4.958 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.029 3.740 9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.268 2.759 7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.905 2.413 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.230 5.375 9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.039 4.088 8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.043 5.552 7.896 1.00 0.00 H new ATOM 557 N GLU A 36 -8.912 6.567 5.199 1.00 0.00 N ATOM 558 CA GLU A 36 -9.706 7.732 4.842 1.00 0.00 C ATOM 559 C GLU A 36 -9.385 8.268 3.444 1.00 0.00 C ATOM 560 O GLU A 36 -10.150 9.078 2.918 1.00 0.00 O ATOM 561 CB GLU A 36 -9.428 8.829 5.863 1.00 0.00 C ATOM 562 CG GLU A 36 -9.931 8.504 7.270 1.00 0.00 C ATOM 563 CD GLU A 36 -9.547 9.618 8.237 1.00 0.00 C ATOM 564 OE1 GLU A 36 -9.429 10.785 7.806 1.00 0.00 O ATOM 565 OE2 GLU A 36 -9.363 9.320 9.437 1.00 0.00 O ATOM 0 H GLU A 36 -8.137 6.791 5.823 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.754 7.432 4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.354 9.011 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.895 9.754 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.014 8.381 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.506 7.558 7.606 1.00 0.00 H new ATOM 572 N LYS A 37 -8.257 7.861 2.848 1.00 0.00 N ATOM 573 CA LYS A 37 -7.840 8.323 1.523 1.00 0.00 C ATOM 574 C LYS A 37 -7.297 7.199 0.643 1.00 0.00 C ATOM 575 O LYS A 37 -7.215 7.371 -0.571 1.00 0.00 O ATOM 576 CB LYS A 37 -6.791 9.445 1.676 1.00 0.00 C ATOM 577 CG LYS A 37 -7.354 10.751 2.265 1.00 0.00 C ATOM 578 CD LYS A 37 -7.202 10.877 3.792 1.00 0.00 C ATOM 579 CE LYS A 37 -8.274 11.837 4.338 1.00 0.00 C ATOM 580 NZ LYS A 37 -8.143 12.093 5.789 1.00 0.00 N ATOM 0 H LYS A 37 -7.608 7.200 3.275 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.726 8.707 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.983 9.089 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.355 9.657 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.853 11.595 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.411 10.824 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.303 9.898 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.207 11.247 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.212 12.784 3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.261 11.421 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.447 13.065 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.739 11.423 6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.150 11.971 6.075 1.00 0.00 H new ATOM 594 N GLY A 38 -6.950 6.040 1.202 1.00 0.00 N ATOM 595 CA GLY A 38 -6.421 4.922 0.440 1.00 0.00 C ATOM 596 C GLY A 38 -4.961 5.121 0.035 1.00 0.00 C ATOM 597 O GLY A 38 -4.495 4.433 -0.875 1.00 0.00 O ATOM 0 H GLY A 38 -7.030 5.855 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.508 4.011 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.026 4.780 -0.456 1.00 0.00 H new ATOM 601 N GLU A 39 -4.261 6.106 0.607 1.00 0.00 N ATOM 602 CA GLU A 39 -2.858 6.353 0.302 1.00 0.00 C ATOM 603 C GLU A 39 -2.004 5.603 1.320 1.00 0.00 C ATOM 604 O GLU A 39 -2.383 5.467 2.487 1.00 0.00 O ATOM 605 CB GLU A 39 -2.510 7.846 0.242 1.00 0.00 C ATOM 606 CG GLU A 39 -2.933 8.680 1.452 1.00 0.00 C ATOM 607 CD GLU A 39 -2.175 10.008 1.512 1.00 0.00 C ATOM 608 OE1 GLU A 39 -2.145 10.744 0.496 1.00 0.00 O ATOM 609 OE2 GLU A 39 -1.561 10.284 2.567 1.00 0.00 O ATOM 0 H GLU A 39 -4.655 6.750 1.292 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.647 5.980 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.431 7.943 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.973 8.272 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.005 8.874 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.751 8.115 2.366 1.00 0.00 H new ATOM 616 N ALA A 40 -0.845 5.138 0.864 1.00 0.00 N ATOM 617 CA ALA A 40 0.140 4.387 1.604 1.00 0.00 C ATOM 618 C ALA A 40 1.509 5.043 1.426 1.00 0.00 C ATOM 619 O ALA A 40 2.018 5.145 0.310 1.00 0.00 O ATOM 620 CB ALA A 40 0.134 2.943 1.084 1.00 0.00 C ATOM 0 H ALA A 40 -0.558 5.292 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.090 4.377 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.873 2.356 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.855 2.508 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.380 2.938 0.022 1.00 0.00 H new ATOM 626 N LEU A 41 2.071 5.567 2.508 1.00 0.00 N ATOM 627 CA LEU A 41 3.385 6.198 2.530 1.00 0.00 C ATOM 628 C LEU A 41 4.354 5.060 2.842 1.00 0.00 C ATOM 629 O LEU A 41 4.048 4.226 3.707 1.00 0.00 O ATOM 630 CB LEU A 41 3.447 7.305 3.598 1.00 0.00 C ATOM 631 CG LEU A 41 2.474 8.477 3.351 1.00 0.00 C ATOM 632 CD1 LEU A 41 2.581 9.499 4.486 1.00 0.00 C ATOM 633 CD2 LEU A 41 2.716 9.179 2.009 1.00 0.00 C ATOM 0 H LEU A 41 1.613 5.565 3.419 1.00 0.00 H new ATOM 0 HA LEU A 41 3.627 6.688 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.231 6.867 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.464 7.695 3.643 1.00 0.00 H new ATOM 0 HG LEU A 41 1.472 8.050 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.890 10.322 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.330 9.020 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.599 9.884 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.002 9.994 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.730 9.578 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.588 8.464 1.196 1.00 0.00 H new ATOM 645 N VAL A 42 5.468 4.964 2.116 1.00 0.00 N ATOM 646 CA VAL A 42 6.446 3.908 2.337 1.00 0.00 C ATOM 647 C VAL A 42 7.879 4.431 2.265 1.00 0.00 C ATOM 648 O VAL A 42 8.298 5.111 1.319 1.00 0.00 O ATOM 649 CB VAL A 42 6.153 2.691 1.436 1.00 0.00 C ATOM 650 CG1 VAL A 42 5.944 3.024 -0.047 1.00 0.00 C ATOM 651 CG2 VAL A 42 7.255 1.628 1.574 1.00 0.00 C ATOM 0 H VAL A 42 5.713 5.611 1.366 1.00 0.00 H new ATOM 0 HA VAL A 42 6.346 3.544 3.360 1.00 0.00 H new ATOM 0 HB VAL A 42 5.201 2.302 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.744 2.107 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.098 3.703 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.841 3.499 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.025 0.780 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.213 2.057 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.309 1.292 2.610 1.00 0.00 H new ATOM 661 N GLU A 43 8.646 4.049 3.276 1.00 0.00 N ATOM 662 CA GLU A 43 10.030 4.368 3.485 1.00 0.00 C ATOM 663 C GLU A 43 10.813 3.066 3.627 1.00 0.00 C ATOM 664 O GLU A 43 10.322 2.090 4.199 1.00 0.00 O ATOM 665 CB GLU A 43 10.138 5.247 4.738 1.00 0.00 C ATOM 666 CG GLU A 43 11.596 5.607 5.003 1.00 0.00 C ATOM 667 CD GLU A 43 11.822 6.573 6.155 1.00 0.00 C ATOM 668 OE1 GLU A 43 11.032 6.614 7.130 1.00 0.00 O ATOM 669 OE2 GLU A 43 12.840 7.295 6.099 1.00 0.00 O ATOM 0 H GLU A 43 8.277 3.462 4.024 1.00 0.00 H new ATOM 0 HA GLU A 43 10.449 4.921 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.550 6.155 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.724 4.720 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.150 4.690 5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.017 6.042 4.097 1.00 0.00 H new ATOM 676 N GLY A 44 12.046 3.080 3.130 1.00 0.00 N ATOM 677 CA GLY A 44 12.993 1.988 3.162 1.00 0.00 C ATOM 678 C GLY A 44 13.436 1.587 1.767 1.00 0.00 C ATOM 679 O GLY A 44 12.929 2.096 0.765 1.00 0.00 O ATOM 0 H GLY A 44 12.426 3.906 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.863 2.278 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.542 1.130 3.661 1.00 0.00 H new ATOM 683 N THR A 45 14.353 0.627 1.705 1.00 0.00 N ATOM 684 CA THR A 45 14.952 0.045 0.505 1.00 0.00 C ATOM 685 C THR A 45 13.952 -0.748 -0.362 1.00 0.00 C ATOM 686 O THR A 45 14.353 -1.433 -1.308 1.00 0.00 O ATOM 687 CB THR A 45 16.137 -0.825 0.964 1.00 0.00 C ATOM 688 OG1 THR A 45 15.695 -1.701 1.975 1.00 0.00 O ATOM 689 CG2 THR A 45 17.260 0.029 1.555 1.00 0.00 C ATOM 0 H THR A 45 14.726 0.203 2.554 1.00 0.00 H new ATOM 0 HA THR A 45 15.292 0.847 -0.151 1.00 0.00 H new ATOM 0 HB THR A 45 16.513 -1.365 0.095 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.442 -2.261 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.081 -0.616 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.618 0.731 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.883 0.581 2.416 1.00 0.00 H new ATOM 697 N ALA A 46 12.660 -0.744 -0.015 1.00 0.00 N ATOM 698 CA ALA A 46 11.613 -1.426 -0.754 1.00 0.00 C ATOM 699 C ALA A 46 11.447 -0.731 -2.102 1.00 0.00 C ATOM 700 O ALA A 46 11.527 0.499 -2.188 1.00 0.00 O ATOM 701 CB ALA A 46 10.291 -1.366 0.019 1.00 0.00 C ATOM 0 H ALA A 46 12.314 -0.252 0.809 1.00 0.00 H new ATOM 0 HA ALA A 46 11.884 -2.472 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.515 -1.881 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.414 -1.849 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.002 -0.325 0.166 1.00 0.00 H new ATOM 707 N ASP A 47 11.235 -1.519 -3.151 1.00 0.00 N ATOM 708 CA ASP A 47 11.037 -1.004 -4.498 1.00 0.00 C ATOM 709 C ASP A 47 9.528 -0.847 -4.696 1.00 0.00 C ATOM 710 O ASP A 47 8.800 -1.816 -4.443 1.00 0.00 O ATOM 711 CB ASP A 47 11.627 -1.978 -5.521 1.00 0.00 C ATOM 712 CG ASP A 47 11.733 -1.354 -6.913 1.00 0.00 C ATOM 713 OD1 ASP A 47 10.750 -0.797 -7.458 1.00 0.00 O ATOM 714 OD2 ASP A 47 12.823 -1.466 -7.521 1.00 0.00 O ATOM 0 H ASP A 47 11.196 -2.536 -3.089 1.00 0.00 H new ATOM 0 HA ASP A 47 11.539 -0.046 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.616 -2.296 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.005 -2.872 -5.571 1.00 0.00 H new ATOM 719 N PRO A 48 9.022 0.311 -5.156 1.00 0.00 N ATOM 720 CA PRO A 48 7.593 0.500 -5.345 1.00 0.00 C ATOM 721 C PRO A 48 6.997 -0.522 -6.309 1.00 0.00 C ATOM 722 O PRO A 48 5.842 -0.885 -6.115 1.00 0.00 O ATOM 723 CB PRO A 48 7.405 1.936 -5.843 1.00 0.00 C ATOM 724 CG PRO A 48 8.775 2.306 -6.401 1.00 0.00 C ATOM 725 CD PRO A 48 9.732 1.529 -5.501 1.00 0.00 C ATOM 0 HA PRO A 48 7.060 0.343 -4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.631 1.997 -6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.108 2.605 -5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.877 2.015 -7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.955 3.380 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.666 1.308 -6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.988 2.102 -4.610 1.00 0.00 H new ATOM 733 N LYS A 49 7.745 -1.010 -7.310 1.00 0.00 N ATOM 734 CA LYS A 49 7.212 -1.994 -8.255 1.00 0.00 C ATOM 735 C LYS A 49 6.712 -3.227 -7.515 1.00 0.00 C ATOM 736 O LYS A 49 5.611 -3.697 -7.794 1.00 0.00 O ATOM 737 CB LYS A 49 8.275 -2.436 -9.265 1.00 0.00 C ATOM 738 CG LYS A 49 8.709 -1.329 -10.229 1.00 0.00 C ATOM 739 CD LYS A 49 9.677 -1.871 -11.296 1.00 0.00 C ATOM 740 CE LYS A 49 10.981 -2.443 -10.730 1.00 0.00 C ATOM 741 NZ LYS A 49 11.783 -1.411 -10.049 1.00 0.00 N ATOM 0 H LYS A 49 8.713 -0.740 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 49 6.390 -1.514 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.149 -2.797 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.888 -3.276 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.832 -0.900 -10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.190 -0.525 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.171 -2.648 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.918 -1.068 -11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.751 -3.246 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.566 -2.883 -11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.516 -1.867 -9.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.235 -0.798 -10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.166 -0.838 -9.439 1.00 0.00 H new ATOM 755 N ALA A 50 7.514 -3.735 -6.576 1.00 0.00 N ATOM 756 CA ALA A 50 7.190 -4.912 -5.795 1.00 0.00 C ATOM 757 C ALA A 50 5.904 -4.698 -5.003 1.00 0.00 C ATOM 758 O ALA A 50 5.005 -5.534 -5.050 1.00 0.00 O ATOM 759 CB ALA A 50 8.352 -5.259 -4.860 1.00 0.00 C ATOM 0 H ALA A 50 8.419 -3.327 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 50 7.029 -5.748 -6.476 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.098 -6.145 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.247 -5.457 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.539 -4.423 -4.186 1.00 0.00 H new ATOM 765 N LEU A 51 5.803 -3.581 -4.279 1.00 0.00 N ATOM 766 CA LEU A 51 4.629 -3.273 -3.468 1.00 0.00 C ATOM 767 C LEU A 51 3.394 -3.055 -4.337 1.00 0.00 C ATOM 768 O LEU A 51 2.318 -3.548 -3.980 1.00 0.00 O ATOM 769 CB LEU A 51 4.904 -2.078 -2.547 1.00 0.00 C ATOM 770 CG LEU A 51 6.046 -2.329 -1.544 1.00 0.00 C ATOM 771 CD1 LEU A 51 6.198 -1.095 -0.662 1.00 0.00 C ATOM 772 CD2 LEU A 51 5.821 -3.559 -0.649 1.00 0.00 C ATOM 0 H LEU A 51 6.532 -2.868 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 51 4.418 -4.134 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.150 -1.208 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.994 -1.835 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 51 6.946 -2.526 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.003 -1.257 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.433 -0.231 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.266 -0.914 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.665 -3.673 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.905 -3.427 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.733 -4.450 -1.271 1.00 0.00 H new ATOM 784 N VAL A 52 3.525 -2.329 -5.454 1.00 0.00 N ATOM 785 CA VAL A 52 2.429 -2.080 -6.383 1.00 0.00 C ATOM 786 C VAL A 52 1.949 -3.458 -6.829 1.00 0.00 C ATOM 787 O VAL A 52 0.771 -3.750 -6.666 1.00 0.00 O ATOM 788 CB VAL A 52 2.871 -1.165 -7.552 1.00 0.00 C ATOM 789 CG1 VAL A 52 1.888 -1.171 -8.736 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.007 0.294 -7.087 1.00 0.00 C ATOM 0 H VAL A 52 4.405 -1.896 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 52 1.610 -1.532 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 52 3.828 -1.571 -7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.258 -0.510 -9.519 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.798 -2.184 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.911 -0.824 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.318 0.916 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.047 0.647 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.752 0.355 -6.294 1.00 0.00 H new ATOM 800 N GLN A 53 2.843 -4.326 -7.320 1.00 0.00 N ATOM 801 CA GLN A 53 2.450 -5.659 -7.748 1.00 0.00 C ATOM 802 C GLN A 53 1.851 -6.462 -6.599 1.00 0.00 C ATOM 803 O GLN A 53 0.930 -7.221 -6.856 1.00 0.00 O ATOM 804 CB GLN A 53 3.612 -6.410 -8.416 1.00 0.00 C ATOM 805 CG GLN A 53 3.631 -6.164 -9.930 1.00 0.00 C ATOM 806 CD GLN A 53 2.478 -6.894 -10.627 1.00 0.00 C ATOM 807 OE1 GLN A 53 2.536 -8.093 -10.891 1.00 0.00 O ATOM 808 NE2 GLN A 53 1.391 -6.218 -10.949 1.00 0.00 N ATOM 0 H GLN A 53 3.837 -4.123 -7.427 1.00 0.00 H new ATOM 0 HA GLN A 53 1.672 -5.538 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.557 -6.086 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.520 -7.478 -8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.560 -5.094 -10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.581 -6.502 -10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.328 -5.222 -10.736 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.614 -6.691 -11.410 1.00 0.00 H new ATOM 817 N ALA A 54 2.295 -6.292 -5.352 1.00 0.00 N ATOM 818 CA ALA A 54 1.739 -7.029 -4.227 1.00 0.00 C ATOM 819 C ALA A 54 0.249 -6.720 -4.082 1.00 0.00 C ATOM 820 O ALA A 54 -0.564 -7.643 -3.981 1.00 0.00 O ATOM 821 CB ALA A 54 2.479 -6.671 -2.935 1.00 0.00 C ATOM 0 H ALA A 54 3.043 -5.645 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 54 1.863 -8.096 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.051 -7.231 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.534 -6.924 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.379 -5.603 -2.743 1.00 0.00 H new ATOM 827 N VAL A 55 -0.104 -5.428 -4.055 1.00 0.00 N ATOM 828 CA VAL A 55 -1.505 -5.021 -3.922 1.00 0.00 C ATOM 829 C VAL A 55 -2.294 -5.250 -5.219 1.00 0.00 C ATOM 830 O VAL A 55 -3.503 -5.490 -5.159 1.00 0.00 O ATOM 831 CB VAL A 55 -1.655 -3.583 -3.387 1.00 0.00 C ATOM 832 CG1 VAL A 55 -1.134 -3.487 -1.945 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.975 -2.529 -4.262 1.00 0.00 C ATOM 0 H VAL A 55 0.557 -4.654 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.948 -5.670 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.722 -3.364 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.248 -2.465 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.703 -4.163 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.080 -3.765 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.122 -1.542 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.092 -2.742 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.409 -2.551 -5.261 1.00 0.00 H new ATOM 843 N GLU A 56 -1.663 -5.123 -6.386 1.00 0.00 N ATOM 844 CA GLU A 56 -2.279 -5.304 -7.694 1.00 0.00 C ATOM 845 C GLU A 56 -2.623 -6.778 -7.907 1.00 0.00 C ATOM 846 O GLU A 56 -3.728 -7.101 -8.338 1.00 0.00 O ATOM 847 CB GLU A 56 -1.340 -4.757 -8.774 1.00 0.00 C ATOM 848 CG GLU A 56 -2.040 -4.523 -10.114 1.00 0.00 C ATOM 849 CD GLU A 56 -1.043 -4.273 -11.246 1.00 0.00 C ATOM 850 OE1 GLU A 56 0.076 -3.754 -11.024 1.00 0.00 O ATOM 851 OE2 GLU A 56 -1.352 -4.655 -12.399 1.00 0.00 O ATOM 0 H GLU A 56 -0.674 -4.883 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.214 -4.747 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.906 -3.819 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.516 -5.455 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.655 -5.389 -10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.712 -3.669 -10.028 1.00 0.00 H new ATOM 858 N GLU A 57 -1.709 -7.688 -7.570 1.00 0.00 N ATOM 859 CA GLU A 57 -1.911 -9.127 -7.699 1.00 0.00 C ATOM 860 C GLU A 57 -2.999 -9.584 -6.735 1.00 0.00 C ATOM 861 O GLU A 57 -3.634 -10.613 -6.974 1.00 0.00 O ATOM 862 CB GLU A 57 -0.609 -9.887 -7.429 1.00 0.00 C ATOM 863 CG GLU A 57 0.318 -9.852 -8.646 1.00 0.00 C ATOM 864 CD GLU A 57 -0.046 -10.969 -9.622 1.00 0.00 C ATOM 865 OE1 GLU A 57 -1.158 -10.967 -10.201 1.00 0.00 O ATOM 866 OE2 GLU A 57 0.759 -11.921 -9.752 1.00 0.00 O ATOM 0 H GLU A 57 -0.794 -7.440 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.224 -9.344 -8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.101 -9.449 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.836 -10.922 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.240 -8.885 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.354 -9.963 -8.326 1.00 0.00 H new ATOM 873 N GLU A 58 -3.223 -8.812 -5.666 1.00 0.00 N ATOM 874 CA GLU A 58 -4.242 -9.062 -4.662 1.00 0.00 C ATOM 875 C GLU A 58 -5.635 -8.897 -5.310 1.00 0.00 C ATOM 876 O GLU A 58 -6.631 -9.303 -4.709 1.00 0.00 O ATOM 877 CB GLU A 58 -4.046 -8.075 -3.495 1.00 0.00 C ATOM 878 CG GLU A 58 -4.116 -8.705 -2.108 1.00 0.00 C ATOM 879 CD GLU A 58 -2.833 -9.456 -1.763 1.00 0.00 C ATOM 880 OE1 GLU A 58 -2.672 -10.641 -2.139 1.00 0.00 O ATOM 881 OE2 GLU A 58 -2.025 -8.920 -0.977 1.00 0.00 O ATOM 0 H GLU A 58 -2.678 -7.971 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.162 -10.077 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.078 -7.587 -3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.806 -7.296 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.294 -7.928 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.962 -9.390 -2.062 1.00 0.00 H new ATOM 888 N GLY A 59 -5.702 -8.287 -6.505 1.00 0.00 N ATOM 889 CA GLY A 59 -6.879 -8.042 -7.319 1.00 0.00 C ATOM 890 C GLY A 59 -7.419 -6.616 -7.281 1.00 0.00 C ATOM 891 O GLY A 59 -8.625 -6.452 -7.462 1.00 0.00 O ATOM 0 H GLY A 59 -4.859 -7.927 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.643 -8.295 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.669 -8.720 -6.997 1.00 0.00 H new ATOM 895 N TYR A 60 -6.587 -5.585 -7.077 1.00 0.00 N ATOM 896 CA TYR A 60 -7.046 -4.186 -7.003 1.00 0.00 C ATOM 897 C TYR A 60 -6.198 -3.243 -7.861 1.00 0.00 C ATOM 898 O TYR A 60 -5.207 -3.675 -8.453 1.00 0.00 O ATOM 899 CB TYR A 60 -7.060 -3.752 -5.533 1.00 0.00 C ATOM 900 CG TYR A 60 -7.904 -4.654 -4.662 1.00 0.00 C ATOM 901 CD1 TYR A 60 -7.338 -5.791 -4.062 1.00 0.00 C ATOM 902 CD2 TYR A 60 -9.270 -4.390 -4.503 1.00 0.00 C ATOM 903 CE1 TYR A 60 -8.118 -6.647 -3.266 1.00 0.00 C ATOM 904 CE2 TYR A 60 -10.049 -5.220 -3.690 1.00 0.00 C ATOM 905 CZ TYR A 60 -9.485 -6.353 -3.069 1.00 0.00 C ATOM 906 OH TYR A 60 -10.263 -7.135 -2.278 1.00 0.00 O ATOM 0 H TYR A 60 -5.580 -5.694 -6.959 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.054 -4.127 -7.413 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.038 -3.740 -5.153 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.437 -2.732 -5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.291 -6.010 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.721 -3.548 -5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.677 -7.521 -2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.093 -4.991 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.175 -6.777 -2.260 1.00 0.00 H new ATOM 916 N LYS A 61 -6.565 -1.958 -7.959 1.00 0.00 N ATOM 917 CA LYS A 61 -5.809 -0.999 -8.769 1.00 0.00 C ATOM 918 C LYS A 61 -4.923 -0.194 -7.838 1.00 0.00 C ATOM 919 O LYS A 61 -5.377 0.259 -6.791 1.00 0.00 O ATOM 920 CB LYS A 61 -6.738 -0.045 -9.546 1.00 0.00 C ATOM 921 CG LYS A 61 -7.431 -0.629 -10.792 1.00 0.00 C ATOM 922 CD LYS A 61 -8.249 -1.882 -10.480 1.00 0.00 C ATOM 923 CE LYS A 61 -9.208 -2.284 -11.597 1.00 0.00 C ATOM 924 NZ LYS A 61 -10.002 -3.440 -11.157 1.00 0.00 N ATOM 0 H LYS A 61 -7.378 -1.562 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.218 -1.547 -9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.508 0.314 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.156 0.823 -9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.084 0.127 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.678 -0.869 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.568 -2.710 -10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.820 -1.714 -9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.864 -1.450 -11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.650 -2.533 -12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.658 -3.719 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.367 -4.234 -10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.543 -3.186 -10.306 1.00 0.00 H new ATOM 938 N ALA A 62 -3.666 -0.004 -8.208 1.00 0.00 N ATOM 939 CA ALA A 62 -2.708 0.763 -7.436 1.00 0.00 C ATOM 940 C ALA A 62 -2.017 1.741 -8.364 1.00 0.00 C ATOM 941 O ALA A 62 -2.014 1.568 -9.584 1.00 0.00 O ATOM 942 CB ALA A 62 -1.713 -0.156 -6.733 1.00 0.00 C ATOM 0 H ALA A 62 -3.278 -0.387 -9.070 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.221 1.320 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.005 0.444 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.249 -0.825 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.173 -0.744 -7.475 1.00 0.00 H new ATOM 948 N GLU A 63 -1.418 2.761 -7.778 1.00 0.00 N ATOM 949 CA GLU A 63 -0.713 3.807 -8.482 1.00 0.00 C ATOM 950 C GLU A 63 0.402 4.288 -7.561 1.00 0.00 C ATOM 951 O GLU A 63 0.382 4.003 -6.358 1.00 0.00 O ATOM 952 CB GLU A 63 -1.723 4.912 -8.805 1.00 0.00 C ATOM 953 CG GLU A 63 -1.355 5.690 -10.066 1.00 0.00 C ATOM 954 CD GLU A 63 -2.301 6.868 -10.279 1.00 0.00 C ATOM 955 OE1 GLU A 63 -3.540 6.736 -10.090 1.00 0.00 O ATOM 956 OE2 GLU A 63 -1.787 7.975 -10.566 1.00 0.00 O ATOM 0 H GLU A 63 -1.411 2.885 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.270 3.473 -9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.712 4.471 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.785 5.601 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.330 6.052 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.394 5.027 -10.930 1.00 0.00 H new ATOM 963 N VAL A 64 1.379 5.022 -8.087 1.00 0.00 N ATOM 964 CA VAL A 64 2.478 5.494 -7.264 1.00 0.00 C ATOM 965 C VAL A 64 3.002 6.834 -7.766 1.00 0.00 C ATOM 966 O VAL A 64 2.796 7.204 -8.926 1.00 0.00 O ATOM 967 CB VAL A 64 3.529 4.359 -7.201 1.00 0.00 C ATOM 968 CG1 VAL A 64 4.236 4.099 -8.541 1.00 0.00 C ATOM 969 CG2 VAL A 64 4.553 4.591 -6.090 1.00 0.00 C ATOM 0 H VAL A 64 1.429 5.298 -9.068 1.00 0.00 H new ATOM 0 HA VAL A 64 2.161 5.707 -6.243 1.00 0.00 H new ATOM 0 HB VAL A 64 2.961 3.458 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.958 3.291 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.499 3.818 -9.293 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.753 5.003 -8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.272 3.772 -6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.076 5.531 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.042 4.636 -5.128 1.00 0.00 H new ATOM 979 N LEU A 65 3.672 7.556 -6.871 1.00 0.00 N ATOM 980 CA LEU A 65 4.300 8.855 -7.042 1.00 0.00 C ATOM 981 C LEU A 65 5.285 9.008 -5.872 1.00 0.00 C ATOM 982 O LEU A 65 5.283 8.185 -4.954 1.00 0.00 O ATOM 983 CB LEU A 65 3.198 9.937 -7.030 1.00 0.00 C ATOM 984 CG LEU A 65 3.670 11.391 -7.214 1.00 0.00 C ATOM 985 CD1 LEU A 65 4.407 11.580 -8.545 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.456 12.319 -7.158 1.00 0.00 C ATOM 0 H LEU A 65 3.798 7.210 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 65 4.837 8.955 -7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.483 9.706 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.661 9.868 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 65 4.368 11.632 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.725 12.618 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.280 10.929 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.740 11.328 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.781 13.351 -7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.759 12.055 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.961 12.213 -6.193 1.00 0.00 H new ATOM 998 N ALA A 66 6.185 9.984 -5.920 1.00 0.00 N ATOM 999 CA ALA A 66 7.155 10.275 -4.881 1.00 0.00 C ATOM 1000 C ALA A 66 7.235 11.785 -4.881 1.00 0.00 C ATOM 1001 O ALA A 66 7.624 12.352 -5.927 1.00 0.00 O ATOM 1002 CB ALA A 66 8.508 9.608 -5.133 1.00 0.00 C ATOM 0 H ALA A 66 6.258 10.617 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 66 6.859 9.876 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.194 9.860 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.378 8.527 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.917 9.961 -6.080 1.00 0.00 H new TER 1008 ALA A 66