USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 ALA N :NH3+ -106:sc= 0.0858 (180deg=0) USER MOD Single : A 4 MET CE :methyl -148:sc= -0.203 (180deg=-2.08) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.119 (180deg=-0.119) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.195 F(o=-1.7,f=-0.19) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 39:sc= 0.0331 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -100:sc= -1.67 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= -0.302 USER MOD Single : A 34 THR OG1 : rot -47:sc= 0.783 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 42 MET CE :methyl -131:sc= -0.0295 (180deg=-1.64!) USER MOD Single : A 43 MET CE :methyl -177:sc= -1.17 (180deg=-1.2) USER MOD Single : A 48 THR OG1 : rot -37:sc= 0.0871 USER MOD Single : A 57 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.086) USER MOD Single : A 61 SER OG : rot 180:sc= -0.473 USER MOD Single : A 63 CYS SG : rot 159:sc= 0.283 USER MOD Single : A 64 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 66 ASN : amide:sc= 0.0253 X(o=0.025,f=0) USER MOD Single : A 70 MET CE :methyl 168:sc= 0 (180deg=-0.0363) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.535 -6.153 1.525 1.00 0.00 N ATOM 2 CA ALA A 1 4.410 -4.926 0.748 1.00 0.00 C ATOM 3 C ALA A 1 3.609 -5.163 -0.527 1.00 0.00 C ATOM 4 O ALA A 1 3.293 -6.302 -0.870 1.00 0.00 O ATOM 5 CB ALA A 1 5.786 -4.371 0.414 1.00 0.00 C ATOM 0 H1 ALA A 1 3.913 -6.102 2.357 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.261 -6.966 0.937 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.521 -6.268 1.836 1.00 0.00 H new ATOM 0 HA ALA A 1 3.873 -4.195 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.678 -3.455 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.325 -4.155 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.343 -5.105 -0.168 1.00 0.00 H new ATOM 11 N ASP A 2 3.283 -4.081 -1.225 1.00 0.00 N ATOM 12 CA ASP A 2 2.519 -4.171 -2.464 1.00 0.00 C ATOM 13 C ASP A 2 3.427 -3.995 -3.677 1.00 0.00 C ATOM 14 O ASP A 2 4.310 -3.137 -3.685 1.00 0.00 O ATOM 15 CB ASP A 2 1.411 -3.117 -2.483 1.00 0.00 C ATOM 16 CG ASP A 2 0.387 -3.333 -1.386 1.00 0.00 C ATOM 17 OD1 ASP A 2 -0.384 -4.312 -1.478 1.00 0.00 O ATOM 18 OD2 ASP A 2 0.356 -2.524 -0.436 1.00 0.00 O ATOM 0 H ASP A 2 3.536 -3.131 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 2 2.068 -5.162 -2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.854 -2.127 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.911 -3.137 -3.451 1.00 0.00 H new ATOM 23 N ASP A 3 3.204 -4.813 -4.700 1.00 0.00 N ATOM 24 CA ASP A 3 4.002 -4.748 -5.919 1.00 0.00 C ATOM 25 C ASP A 3 3.109 -4.595 -7.146 1.00 0.00 C ATOM 26 O ASP A 3 3.394 -3.796 -8.037 1.00 0.00 O ATOM 27 CB ASP A 3 4.867 -6.002 -6.055 1.00 0.00 C ATOM 28 CG ASP A 3 5.954 -6.074 -5.001 1.00 0.00 C ATOM 29 OD1 ASP A 3 5.880 -5.305 -4.019 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.878 -6.899 -5.157 1.00 0.00 O ATOM 0 H ASP A 3 2.477 -5.529 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 3 4.650 -3.874 -5.853 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.234 -6.886 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.323 -6.019 -7.045 1.00 0.00 H new ATOM 35 N MET A 4 2.027 -5.367 -7.184 1.00 0.00 N ATOM 36 CA MET A 4 1.092 -5.316 -8.302 1.00 0.00 C ATOM 37 C MET A 4 0.572 -3.898 -8.512 1.00 0.00 C ATOM 38 O MET A 4 0.172 -3.532 -9.617 1.00 0.00 O ATOM 39 CB MET A 4 -0.079 -6.271 -8.058 1.00 0.00 C ATOM 40 CG MET A 4 0.346 -7.631 -7.529 1.00 0.00 C ATOM 41 SD MET A 4 1.682 -8.365 -8.492 1.00 0.00 S ATOM 42 CE MET A 4 1.000 -8.267 -10.146 1.00 0.00 C ATOM 0 H MET A 4 1.777 -6.034 -6.454 1.00 0.00 H new ATOM 0 HA MET A 4 1.623 -5.625 -9.202 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.768 -5.814 -7.348 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.626 -6.408 -8.991 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.665 -7.529 -6.492 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.512 -8.303 -7.535 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.358 -9.109 -10.738 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.088 -8.297 -10.093 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.315 -7.335 -10.615 1.00 0.00 H new ATOM 52 N GLU A 5 0.580 -3.105 -7.445 1.00 0.00 N ATOM 53 CA GLU A 5 0.108 -1.727 -7.514 1.00 0.00 C ATOM 54 C GLU A 5 1.005 -0.889 -8.421 1.00 0.00 C ATOM 55 O GLU A 5 0.521 -0.087 -9.220 1.00 0.00 O ATOM 56 CB GLU A 5 0.060 -1.110 -6.115 1.00 0.00 C ATOM 57 CG GLU A 5 -1.211 -0.324 -5.839 1.00 0.00 C ATOM 58 CD GLU A 5 -1.686 -0.467 -4.406 1.00 0.00 C ATOM 59 OE1 GLU A 5 -1.655 -1.600 -3.882 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.088 0.553 -3.810 1.00 0.00 O ATOM 0 H GLU A 5 0.908 -3.393 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.898 -1.735 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.154 -1.904 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.919 -0.451 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.036 0.730 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.997 -0.663 -6.514 1.00 0.00 H new ATOM 67 N ARG A 6 2.313 -1.082 -8.291 1.00 0.00 N ATOM 68 CA ARG A 6 3.278 -0.343 -9.096 1.00 0.00 C ATOM 69 C ARG A 6 3.052 -0.597 -10.584 1.00 0.00 C ATOM 70 O ARG A 6 2.773 0.329 -11.346 1.00 0.00 O ATOM 71 CB ARG A 6 4.705 -0.739 -8.712 1.00 0.00 C ATOM 72 CG ARG A 6 5.300 0.123 -7.610 1.00 0.00 C ATOM 73 CD ARG A 6 5.599 1.530 -8.105 1.00 0.00 C ATOM 74 NE ARG A 6 6.348 2.308 -7.121 1.00 0.00 N ATOM 75 CZ ARG A 6 6.685 3.581 -7.294 1.00 0.00 C ATOM 76 NH1 ARG A 6 6.341 4.217 -8.405 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.368 4.221 -6.353 1.00 0.00 N ATOM 0 H ARG A 6 2.729 -1.744 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 6 3.138 0.720 -8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.710 -1.780 -8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.341 -0.675 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.607 0.171 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.217 -0.337 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.168 1.475 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.664 2.040 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 6 6.627 1.849 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.816 3.729 -9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.601 5.195 -8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.634 3.735 -5.497 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.627 5.199 -6.486 1.00 0.00 H new ATOM 91 N ILE A 7 3.174 -1.857 -10.989 1.00 0.00 N ATOM 92 CA ILE A 7 2.983 -2.232 -12.384 1.00 0.00 C ATOM 93 C ILE A 7 1.649 -1.715 -12.914 1.00 0.00 C ATOM 94 O ILE A 7 1.586 -1.116 -13.988 1.00 0.00 O ATOM 95 CB ILE A 7 3.039 -3.760 -12.569 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.302 -4.328 -11.920 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.990 -4.116 -14.048 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.049 -4.993 -10.585 1.00 0.00 C ATOM 0 H ILE A 7 3.404 -2.635 -10.371 1.00 0.00 H new ATOM 0 HA ILE A 7 3.797 -1.776 -12.948 1.00 0.00 H new ATOM 0 HB ILE A 7 2.172 -4.203 -12.080 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.755 -5.052 -12.597 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.025 -3.523 -11.785 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.030 -5.199 -14.163 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.064 -3.739 -14.482 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.840 -3.665 -14.559 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.989 -5.372 -10.184 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.625 -4.267 -9.891 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.351 -5.820 -10.717 1.00 0.00 H new ATOM 110 N PHE A 8 0.585 -1.950 -12.153 1.00 0.00 N ATOM 111 CA PHE A 8 -0.748 -1.508 -12.545 1.00 0.00 C ATOM 112 C PHE A 8 -0.747 -0.022 -12.893 1.00 0.00 C ATOM 113 O PHE A 8 -1.372 0.400 -13.867 1.00 0.00 O ATOM 114 CB PHE A 8 -1.749 -1.780 -11.421 1.00 0.00 C ATOM 115 CG PHE A 8 -3.102 -1.173 -11.664 1.00 0.00 C ATOM 116 CD1 PHE A 8 -4.041 -1.831 -12.443 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.434 0.054 -11.114 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.287 -1.276 -12.668 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.679 0.614 -11.335 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.605 -0.051 -12.114 1.00 0.00 C ATOM 0 H PHE A 8 0.620 -2.444 -11.261 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.045 -2.070 -13.430 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.860 -2.857 -11.297 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.347 -1.391 -10.485 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.796 -2.788 -12.879 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.713 0.579 -10.506 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.010 -1.799 -13.276 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.927 1.570 -10.899 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.577 0.386 -12.290 1.00 0.00 H new ATOM 130 N LYS A 9 -0.043 0.768 -12.090 1.00 0.00 N ATOM 131 CA LYS A 9 0.041 2.206 -12.311 1.00 0.00 C ATOM 132 C LYS A 9 1.066 2.532 -13.392 1.00 0.00 C ATOM 133 O LYS A 9 1.037 3.612 -13.983 1.00 0.00 O ATOM 134 CB LYS A 9 0.411 2.922 -11.010 1.00 0.00 C ATOM 135 CG LYS A 9 -0.645 2.799 -9.925 1.00 0.00 C ATOM 136 CD LYS A 9 -0.176 3.415 -8.618 1.00 0.00 C ATOM 137 CE LYS A 9 0.396 2.364 -7.679 1.00 0.00 C ATOM 138 NZ LYS A 9 0.456 2.851 -6.273 1.00 0.00 N ATOM 0 H LYS A 9 0.478 0.436 -11.279 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.936 2.554 -12.645 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.352 2.517 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.581 3.978 -11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.562 3.290 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.885 1.748 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.581 4.172 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.011 3.922 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.216 1.463 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.397 2.087 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.851 2.106 -5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.061 3.696 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.502 3.092 -5.948 1.00 0.00 H new ATOM 152 N ARG A 10 1.969 1.591 -13.648 1.00 0.00 N ATOM 153 CA ARG A 10 3.002 1.778 -14.659 1.00 0.00 C ATOM 154 C ARG A 10 2.387 2.167 -16.000 1.00 0.00 C ATOM 155 O ARG A 10 2.749 3.186 -16.589 1.00 0.00 O ATOM 156 CB ARG A 10 3.829 0.501 -14.817 1.00 0.00 C ATOM 157 CG ARG A 10 5.133 0.709 -15.570 1.00 0.00 C ATOM 158 CD ARG A 10 5.668 -0.600 -16.129 1.00 0.00 C ATOM 159 NE ARG A 10 6.900 -0.408 -16.888 1.00 0.00 N ATOM 160 CZ ARG A 10 8.091 -0.234 -16.326 1.00 0.00 C ATOM 161 NH1 ARG A 10 8.210 -0.228 -15.005 1.00 0.00 N ATOM 162 NH2 ARG A 10 9.166 -0.065 -17.085 1.00 0.00 N ATOM 0 H ARG A 10 2.006 0.691 -13.169 1.00 0.00 H new ATOM 0 HA ARG A 10 3.654 2.587 -14.329 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.050 0.097 -13.829 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.232 -0.246 -15.340 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.975 1.416 -16.384 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.873 1.151 -14.903 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.851 -1.296 -15.310 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.914 -1.055 -16.771 1.00 0.00 H new ATOM 0 HE ARG A 10 6.843 -0.407 -17.906 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.386 -0.357 -14.418 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.126 -0.094 -14.576 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.078 -0.069 -18.101 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.080 0.069 -16.652 1.00 0.00 H new ATOM 176 N PHE A 11 1.455 1.348 -16.477 1.00 0.00 N ATOM 177 CA PHE A 11 0.790 1.605 -17.749 1.00 0.00 C ATOM 178 C PHE A 11 -0.240 2.723 -17.609 1.00 0.00 C ATOM 179 O PHE A 11 -0.599 3.377 -18.588 1.00 0.00 O ATOM 180 CB PHE A 11 0.111 0.333 -18.260 1.00 0.00 C ATOM 181 CG PHE A 11 1.035 -0.848 -18.341 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.390 -0.670 -18.569 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.549 -2.137 -18.188 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.243 -1.755 -18.644 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.397 -3.226 -18.262 1.00 0.00 C ATOM 186 CZ PHE A 11 2.746 -3.035 -18.490 1.00 0.00 C ATOM 0 H PHE A 11 1.143 0.501 -16.002 1.00 0.00 H new ATOM 0 HA PHE A 11 1.546 1.919 -18.468 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.723 0.087 -17.603 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.307 0.526 -19.248 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.784 0.328 -18.690 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.505 -2.292 -18.009 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.297 -1.602 -18.823 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.005 -4.225 -18.142 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.411 -3.884 -18.548 1.00 0.00 H new ATOM 196 N ASP A 12 -0.711 2.935 -16.385 1.00 0.00 N ATOM 197 CA ASP A 12 -1.699 3.973 -16.114 1.00 0.00 C ATOM 198 C ASP A 12 -1.036 5.345 -16.029 1.00 0.00 C ATOM 199 O ASP A 12 -0.995 5.962 -14.965 1.00 0.00 O ATOM 200 CB ASP A 12 -2.444 3.671 -14.813 1.00 0.00 C ATOM 201 CG ASP A 12 -3.836 4.270 -14.792 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.772 3.614 -15.295 1.00 0.00 O ATOM 203 OD2 ASP A 12 -3.991 5.395 -14.271 1.00 0.00 O ATOM 0 H ASP A 12 -0.424 2.402 -15.564 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.413 3.985 -16.938 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.514 2.591 -14.680 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.871 4.060 -13.971 1.00 0.00 H new ATOM 208 N THR A 13 -0.516 5.816 -17.159 1.00 0.00 N ATOM 209 CA THR A 13 0.146 7.113 -17.212 1.00 0.00 C ATOM 210 C THR A 13 -0.806 8.197 -17.703 1.00 0.00 C ATOM 211 O THR A 13 -0.391 9.322 -17.981 1.00 0.00 O ATOM 212 CB THR A 13 1.382 7.076 -18.131 1.00 0.00 C ATOM 213 OG1 THR A 13 2.071 5.831 -17.974 1.00 0.00 O ATOM 214 CG2 THR A 13 2.325 8.227 -17.817 1.00 0.00 C ATOM 0 H THR A 13 -0.541 5.318 -18.049 1.00 0.00 H new ATOM 0 HA THR A 13 0.465 7.347 -16.196 1.00 0.00 H new ATOM 0 HB THR A 13 1.044 7.176 -19.162 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.855 5.814 -18.562 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.190 8.180 -18.479 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.806 9.174 -17.966 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.656 8.154 -16.781 1.00 0.00 H new ATOM 222 N ASN A 14 -2.085 7.852 -17.807 1.00 0.00 N ATOM 223 CA ASN A 14 -3.097 8.797 -18.266 1.00 0.00 C ATOM 224 C ASN A 14 -4.078 9.130 -17.145 1.00 0.00 C ATOM 225 O ASN A 14 -5.104 9.769 -17.374 1.00 0.00 O ATOM 226 CB ASN A 14 -3.852 8.225 -19.467 1.00 0.00 C ATOM 227 CG ASN A 14 -3.784 6.711 -19.526 1.00 0.00 C ATOM 228 OD1 ASN A 14 -4.260 6.057 -18.473 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 -3.308 6.138 -20.506 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.446 6.925 -17.580 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.592 9.715 -18.567 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.895 8.537 -19.419 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.437 8.641 -20.385 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.954 6.682 -21.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.268 5.119 -20.531 1.00 0.00 H new ATOM 236 N GLY A 15 -3.754 8.692 -15.933 1.00 0.00 N ATOM 237 CA GLY A 15 -4.616 8.952 -14.795 1.00 0.00 C ATOM 238 C GLY A 15 -5.984 8.317 -14.946 1.00 0.00 C ATOM 239 O GLY A 15 -6.985 8.867 -14.486 1.00 0.00 O ATOM 0 H GLY A 15 -2.910 8.161 -15.718 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.141 8.574 -13.890 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.731 10.029 -14.669 1.00 0.00 H new ATOM 243 N ASP A 16 -6.028 7.158 -15.593 1.00 0.00 N ATOM 244 CA ASP A 16 -7.284 6.448 -15.804 1.00 0.00 C ATOM 245 C ASP A 16 -7.480 5.364 -14.748 1.00 0.00 C ATOM 246 O ASP A 16 -6.551 5.018 -14.020 1.00 0.00 O ATOM 247 CB ASP A 16 -7.314 5.826 -17.202 1.00 0.00 C ATOM 248 CG ASP A 16 -7.615 6.846 -18.282 1.00 0.00 C ATOM 249 OD1 ASP A 16 -8.107 7.942 -17.943 1.00 0.00 O ATOM 250 OD2 ASP A 16 -7.359 6.548 -19.468 1.00 0.00 O ATOM 0 H ASP A 16 -5.209 6.690 -15.980 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.098 7.167 -15.716 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.353 5.356 -17.408 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.067 5.038 -17.230 1.00 0.00 H new ATOM 255 N GLY A 17 -8.697 4.834 -14.670 1.00 0.00 N ATOM 256 CA GLY A 17 -8.993 3.797 -13.699 1.00 0.00 C ATOM 257 C GLY A 17 -8.610 2.415 -14.192 1.00 0.00 C ATOM 258 O GLY A 17 -8.575 1.459 -13.417 1.00 0.00 O ATOM 0 H GLY A 17 -9.483 5.104 -15.262 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.461 4.009 -12.772 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.058 3.814 -13.466 1.00 0.00 H new ATOM 262 N LYS A 18 -8.323 2.309 -15.485 1.00 0.00 N ATOM 263 CA LYS A 18 -7.941 1.034 -16.081 1.00 0.00 C ATOM 264 C LYS A 18 -6.702 1.193 -16.957 1.00 0.00 C ATOM 265 O LYS A 18 -6.290 2.311 -17.268 1.00 0.00 O ATOM 266 CB LYS A 18 -9.096 0.469 -16.911 1.00 0.00 C ATOM 267 CG LYS A 18 -10.420 0.436 -16.167 1.00 0.00 C ATOM 268 CD LYS A 18 -11.550 -0.045 -17.061 1.00 0.00 C ATOM 269 CE LYS A 18 -12.538 1.071 -17.360 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.724 0.576 -18.113 1.00 0.00 N ATOM 0 H LYS A 18 -8.348 3.090 -16.140 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.708 0.339 -15.274 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.211 1.069 -17.814 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.843 -0.542 -17.230 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.335 -0.220 -15.301 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.652 1.432 -15.790 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.139 -0.428 -17.995 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.070 -0.873 -16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.866 1.526 -16.425 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.041 1.851 -17.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.373 1.367 -18.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.415 0.165 -19.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.213 -0.150 -17.552 1.00 0.00 H new ATOM 284 N ILE A 19 -6.115 0.069 -17.353 1.00 0.00 N ATOM 285 CA ILE A 19 -4.925 0.084 -18.195 1.00 0.00 C ATOM 286 C ILE A 19 -5.088 -0.844 -19.394 1.00 0.00 C ATOM 287 O ILE A 19 -5.579 -1.965 -19.262 1.00 0.00 O ATOM 288 CB ILE A 19 -3.671 -0.332 -17.405 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.887 -1.695 -16.743 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.328 0.721 -16.361 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.710 -2.157 -15.912 1.00 0.00 C ATOM 0 H ILE A 19 -6.444 -0.864 -17.104 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.800 1.108 -18.546 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.834 -0.414 -18.099 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.772 -1.646 -16.109 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.090 -2.437 -17.515 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.439 0.412 -15.811 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.136 1.674 -16.855 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.163 0.832 -15.669 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.934 -3.129 -15.473 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.827 -2.239 -16.546 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.520 -1.436 -15.117 1.00 0.00 H new ATOM 303 N SER A 20 -4.672 -0.369 -20.563 1.00 0.00 N ATOM 304 CA SER A 20 -4.773 -1.156 -21.787 1.00 0.00 C ATOM 305 C SER A 20 -4.121 -2.524 -21.610 1.00 0.00 C ATOM 306 O SER A 20 -2.923 -2.624 -21.341 1.00 0.00 O ATOM 307 CB SER A 20 -4.116 -0.413 -22.952 1.00 0.00 C ATOM 308 OG SER A 20 -4.747 -0.730 -24.180 1.00 0.00 O ATOM 0 H SER A 20 -4.262 0.556 -20.689 1.00 0.00 H new ATOM 0 HA SER A 20 -5.830 -1.303 -22.008 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.170 0.662 -22.779 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.059 -0.675 -23.004 1.00 0.00 H new ATOM 0 HG SER A 20 -5.715 -0.802 -24.042 1.00 0.00 H new ATOM 314 N LEU A 21 -4.918 -3.576 -21.761 1.00 0.00 N ATOM 315 CA LEU A 21 -4.420 -4.940 -21.618 1.00 0.00 C ATOM 316 C LEU A 21 -3.857 -5.455 -22.939 1.00 0.00 C ATOM 317 O LEU A 21 -3.134 -6.451 -22.970 1.00 0.00 O ATOM 318 CB LEU A 21 -5.539 -5.863 -21.133 1.00 0.00 C ATOM 319 CG LEU A 21 -6.915 -5.638 -21.760 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.874 -5.920 -23.253 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.961 -6.509 -21.079 1.00 0.00 C ATOM 0 H LEU A 21 -5.912 -3.511 -21.982 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.617 -4.933 -20.880 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.240 -6.894 -21.323 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.632 -5.752 -20.053 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.192 -4.594 -21.616 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.862 -5.754 -23.682 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.155 -5.253 -23.730 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.575 -6.955 -23.420 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.934 -6.335 -21.538 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.689 -7.559 -21.191 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.010 -6.258 -20.020 1.00 0.00 H new ATOM 333 N SER A 22 -4.191 -4.769 -24.027 1.00 0.00 N ATOM 334 CA SER A 22 -3.720 -5.158 -25.351 1.00 0.00 C ATOM 335 C SER A 22 -2.303 -4.649 -25.594 1.00 0.00 C ATOM 336 O SER A 22 -1.461 -5.362 -26.140 1.00 0.00 O ATOM 337 CB SER A 22 -4.661 -4.618 -26.429 1.00 0.00 C ATOM 338 OG SER A 22 -5.847 -5.390 -26.505 1.00 0.00 O ATOM 0 H SER A 22 -4.786 -3.941 -24.018 1.00 0.00 H new ATOM 0 HA SER A 22 -3.710 -6.247 -25.401 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.912 -3.580 -26.210 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.156 -4.626 -27.395 1.00 0.00 H new ATOM 0 HG SER A 22 -6.432 -5.023 -27.200 1.00 0.00 H new ATOM 344 N GLU A 23 -2.048 -3.410 -25.186 1.00 0.00 N ATOM 345 CA GLU A 23 -0.733 -2.804 -25.360 1.00 0.00 C ATOM 346 C GLU A 23 0.284 -3.425 -24.407 1.00 0.00 C ATOM 347 O GLU A 23 1.486 -3.418 -24.672 1.00 0.00 O ATOM 348 CB GLU A 23 -0.808 -1.293 -25.129 1.00 0.00 C ATOM 349 CG GLU A 23 -1.775 -0.582 -26.061 1.00 0.00 C ATOM 350 CD GLU A 23 -1.108 -0.093 -27.332 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.360 0.905 -27.263 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.334 -0.707 -28.395 1.00 0.00 O ATOM 0 H GLU A 23 -2.734 -2.806 -24.733 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.408 -2.992 -26.383 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.107 -1.106 -24.098 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.186 -0.865 -25.255 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.589 -1.260 -26.320 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.220 0.266 -25.539 1.00 0.00 H new ATOM 359 N LEU A 24 -0.208 -3.962 -23.296 1.00 0.00 N ATOM 360 CA LEU A 24 0.656 -4.588 -22.301 1.00 0.00 C ATOM 361 C LEU A 24 1.386 -5.790 -22.892 1.00 0.00 C ATOM 362 O LEU A 24 2.615 -5.811 -22.961 1.00 0.00 O ATOM 363 CB LEU A 24 -0.164 -5.023 -21.085 1.00 0.00 C ATOM 364 CG LEU A 24 0.491 -6.056 -20.168 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.187 -7.466 -20.648 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.994 -5.827 -20.096 1.00 0.00 C ATOM 0 H LEU A 24 -1.201 -3.977 -23.061 1.00 0.00 H new ATOM 0 HA LEU A 24 1.398 -3.854 -21.987 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.397 -4.138 -20.493 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.112 -5.429 -21.438 1.00 0.00 H new ATOM 0 HG LEU A 24 0.077 -5.939 -19.167 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.662 -8.187 -19.983 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.891 -7.626 -20.647 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.572 -7.597 -21.659 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.444 -6.571 -19.439 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.424 -5.916 -21.094 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.192 -4.829 -19.704 1.00 0.00 H new ATOM 378 N THR A 25 0.621 -6.789 -23.321 1.00 0.00 N ATOM 379 CA THR A 25 1.194 -7.994 -23.907 1.00 0.00 C ATOM 380 C THR A 25 2.131 -7.651 -25.060 1.00 0.00 C ATOM 381 O THR A 25 3.137 -8.327 -25.275 1.00 0.00 O ATOM 382 CB THR A 25 0.096 -8.946 -24.419 1.00 0.00 C ATOM 383 OG1 THR A 25 0.678 -9.971 -25.232 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.949 -8.186 -25.222 1.00 0.00 C ATOM 0 H THR A 25 -0.398 -6.787 -23.273 1.00 0.00 H new ATOM 0 HA THR A 25 1.758 -8.492 -23.119 1.00 0.00 H new ATOM 0 HB THR A 25 -0.392 -9.400 -23.557 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.555 -9.747 -26.178 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.713 -8.879 -25.573 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.410 -7.426 -24.592 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.473 -7.708 -26.078 1.00 0.00 H new ATOM 392 N ASP A 26 1.795 -6.598 -25.797 1.00 0.00 N ATOM 393 CA ASP A 26 2.608 -6.165 -26.927 1.00 0.00 C ATOM 394 C ASP A 26 3.800 -5.339 -26.454 1.00 0.00 C ATOM 395 O ASP A 26 4.786 -5.185 -27.174 1.00 0.00 O ATOM 396 CB ASP A 26 1.764 -5.350 -27.908 1.00 0.00 C ATOM 397 CG ASP A 26 2.300 -5.414 -29.325 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.176 -4.591 -29.666 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.843 -6.286 -30.092 1.00 0.00 O ATOM 0 H ASP A 26 0.965 -6.029 -25.632 1.00 0.00 H new ATOM 0 HA ASP A 26 2.983 -7.054 -27.434 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.738 -5.719 -27.894 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.734 -4.311 -27.581 1.00 0.00 H new ATOM 404 N ALA A 27 3.701 -4.808 -25.239 1.00 0.00 N ATOM 405 CA ALA A 27 4.771 -3.999 -24.670 1.00 0.00 C ATOM 406 C ALA A 27 5.786 -4.868 -23.936 1.00 0.00 C ATOM 407 O ALA A 27 6.982 -4.574 -23.931 1.00 0.00 O ATOM 408 CB ALA A 27 4.195 -2.949 -23.731 1.00 0.00 C ATOM 0 H ALA A 27 2.891 -4.924 -24.631 1.00 0.00 H new ATOM 0 HA ALA A 27 5.287 -3.496 -25.488 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.005 -2.351 -23.313 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.514 -2.301 -24.283 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.653 -3.441 -22.924 1.00 0.00 H new ATOM 414 N LEU A 28 5.303 -5.939 -23.317 1.00 0.00 N ATOM 415 CA LEU A 28 6.169 -6.852 -22.579 1.00 0.00 C ATOM 416 C LEU A 28 7.352 -7.292 -23.435 1.00 0.00 C ATOM 417 O LEU A 28 8.506 -7.187 -23.018 1.00 0.00 O ATOM 418 CB LEU A 28 5.376 -8.076 -22.116 1.00 0.00 C ATOM 419 CG LEU A 28 4.811 -8.012 -20.696 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.901 -9.201 -20.430 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.939 -7.962 -19.675 1.00 0.00 C ATOM 0 H LEU A 28 4.316 -6.197 -23.311 1.00 0.00 H new ATOM 0 HA LEU A 28 6.553 -6.324 -21.706 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.548 -8.231 -22.808 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.021 -8.951 -22.190 1.00 0.00 H new ATOM 0 HG LEU A 28 4.221 -7.100 -20.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.508 -9.139 -19.415 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.074 -9.192 -21.140 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.467 -10.125 -20.544 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.519 -7.917 -18.670 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.556 -8.856 -19.770 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.551 -7.078 -19.852 1.00 0.00 H new ATOM 433 N ARG A 29 7.058 -7.783 -24.634 1.00 0.00 N ATOM 434 CA ARG A 29 8.097 -8.238 -25.550 1.00 0.00 C ATOM 435 C ARG A 29 9.202 -7.194 -25.680 1.00 0.00 C ATOM 436 O ARG A 29 10.383 -7.531 -25.776 1.00 0.00 O ATOM 437 CB ARG A 29 7.500 -8.538 -26.925 1.00 0.00 C ATOM 438 CG ARG A 29 6.657 -7.403 -27.484 1.00 0.00 C ATOM 439 CD ARG A 29 5.795 -7.869 -28.647 1.00 0.00 C ATOM 440 NE ARG A 29 5.710 -6.864 -29.703 1.00 0.00 N ATOM 441 CZ ARG A 29 6.732 -6.532 -30.484 1.00 0.00 C ATOM 442 NH1 ARG A 29 7.909 -7.121 -30.328 1.00 0.00 N ATOM 443 NH2 ARG A 29 6.577 -5.607 -31.424 1.00 0.00 N ATOM 0 H ARG A 29 6.108 -7.876 -24.994 1.00 0.00 H new ATOM 0 HA ARG A 29 8.530 -9.152 -25.143 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.308 -8.757 -27.623 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.886 -9.436 -26.857 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.020 -7.000 -26.697 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.308 -6.593 -27.814 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.207 -8.791 -29.057 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.793 -8.100 -28.286 1.00 0.00 H new ATOM 0 HE ARG A 29 4.818 -6.391 -29.849 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.032 -7.832 -29.607 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.692 -6.864 -30.929 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.673 -5.151 -31.547 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.362 -5.352 -32.023 1.00 0.00 H new ATOM 457 N THR A 30 8.811 -5.923 -25.683 1.00 0.00 N ATOM 458 CA THR A 30 9.767 -4.829 -25.804 1.00 0.00 C ATOM 459 C THR A 30 10.702 -4.782 -24.601 1.00 0.00 C ATOM 460 O THR A 30 11.899 -4.528 -24.742 1.00 0.00 O ATOM 461 CB THR A 30 9.052 -3.471 -25.938 1.00 0.00 C ATOM 462 OG1 THR A 30 9.208 -2.965 -27.269 1.00 0.00 O ATOM 463 CG2 THR A 30 9.608 -2.466 -24.940 1.00 0.00 C ATOM 0 H THR A 30 7.838 -5.626 -25.603 1.00 0.00 H new ATOM 0 HA THR A 30 10.349 -5.015 -26.707 1.00 0.00 H new ATOM 0 HB THR A 30 7.993 -3.620 -25.728 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.749 -2.102 -27.347 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.088 -1.515 -25.053 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.462 -2.841 -23.927 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.673 -2.322 -25.124 1.00 0.00 H new ATOM 471 N LEU A 31 10.150 -5.027 -23.418 1.00 0.00 N ATOM 472 CA LEU A 31 10.935 -5.013 -22.189 1.00 0.00 C ATOM 473 C LEU A 31 11.889 -6.203 -22.138 1.00 0.00 C ATOM 474 O LEU A 31 12.707 -6.317 -21.227 1.00 0.00 O ATOM 475 CB LEU A 31 10.012 -5.033 -20.969 1.00 0.00 C ATOM 476 CG LEU A 31 9.720 -3.678 -20.325 1.00 0.00 C ATOM 477 CD1 LEU A 31 11.009 -3.026 -19.847 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.992 -2.768 -21.304 1.00 0.00 C ATOM 0 H LEU A 31 9.161 -5.238 -23.284 1.00 0.00 H new ATOM 0 HA LEU A 31 11.525 -4.096 -22.175 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.064 -5.485 -21.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.455 -5.683 -20.214 1.00 0.00 H new ATOM 0 HG LEU A 31 9.075 -3.839 -19.461 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.782 -2.062 -19.391 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.492 -3.670 -19.112 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.678 -2.878 -20.695 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.792 -1.808 -20.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.612 -2.614 -22.187 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.050 -3.230 -21.598 1.00 0.00 H new ATOM 490 N GLY A 32 11.779 -7.085 -23.127 1.00 0.00 N ATOM 491 CA GLY A 32 12.639 -8.253 -23.177 1.00 0.00 C ATOM 492 C GLY A 32 11.894 -9.535 -22.861 1.00 0.00 C ATOM 493 O GLY A 32 12.439 -10.629 -23.007 1.00 0.00 O ATOM 0 H GLY A 32 11.110 -7.012 -23.894 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.085 -8.330 -24.169 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.458 -8.128 -22.469 1.00 0.00 H new ATOM 497 N SER A 33 10.646 -9.401 -22.424 1.00 0.00 N ATOM 498 CA SER A 33 9.828 -10.558 -22.080 1.00 0.00 C ATOM 499 C SER A 33 9.761 -11.541 -23.245 1.00 0.00 C ATOM 500 O SER A 33 9.616 -11.143 -24.402 1.00 0.00 O ATOM 501 CB SER A 33 8.416 -10.113 -21.692 1.00 0.00 C ATOM 502 OG SER A 33 8.069 -10.589 -20.403 1.00 0.00 O ATOM 0 H SER A 33 10.179 -8.503 -22.300 1.00 0.00 H new ATOM 0 HA SER A 33 10.290 -11.060 -21.230 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.356 -9.025 -21.710 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.700 -10.484 -22.425 1.00 0.00 H new ATOM 0 HG SER A 33 7.133 -10.880 -20.403 1.00 0.00 H new ATOM 508 N THR A 34 9.867 -12.828 -22.931 1.00 0.00 N ATOM 509 CA THR A 34 9.820 -13.870 -23.950 1.00 0.00 C ATOM 510 C THR A 34 8.536 -14.685 -23.843 1.00 0.00 C ATOM 511 O THR A 34 8.497 -15.852 -24.234 1.00 0.00 O ATOM 512 CB THR A 34 11.028 -14.818 -23.840 1.00 0.00 C ATOM 513 OG1 THR A 34 11.064 -15.699 -24.968 1.00 0.00 O ATOM 514 CG2 THR A 34 10.962 -15.632 -22.556 1.00 0.00 C ATOM 0 H THR A 34 9.986 -13.174 -21.979 1.00 0.00 H new ATOM 0 HA THR A 34 9.849 -13.368 -24.917 1.00 0.00 H new ATOM 0 HB THR A 34 11.935 -14.214 -23.822 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.171 -16.074 -25.119 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.826 -16.294 -22.500 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.965 -14.959 -21.698 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.048 -16.226 -22.548 1.00 0.00 H new ATOM 522 N SER A 35 7.488 -14.064 -23.313 1.00 0.00 N ATOM 523 CA SER A 35 6.203 -14.734 -23.152 1.00 0.00 C ATOM 524 C SER A 35 5.056 -13.813 -23.558 1.00 0.00 C ATOM 525 O SER A 35 3.904 -14.037 -23.184 1.00 0.00 O ATOM 526 CB SER A 35 6.019 -15.189 -21.703 1.00 0.00 C ATOM 527 OG SER A 35 6.175 -14.105 -20.804 1.00 0.00 O ATOM 0 H SER A 35 7.503 -13.097 -22.988 1.00 0.00 H new ATOM 0 HA SER A 35 6.192 -15.608 -23.803 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.029 -15.628 -21.579 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.745 -15.968 -21.468 1.00 0.00 H new ATOM 0 HG SER A 35 6.051 -14.422 -19.885 1.00 0.00 H new ATOM 533 N ALA A 36 5.380 -12.777 -24.324 1.00 0.00 N ATOM 534 CA ALA A 36 4.377 -11.823 -24.782 1.00 0.00 C ATOM 535 C ALA A 36 3.245 -12.529 -25.522 1.00 0.00 C ATOM 536 O ALA A 36 2.126 -12.021 -25.593 1.00 0.00 O ATOM 537 CB ALA A 36 5.019 -10.772 -25.676 1.00 0.00 C ATOM 0 H ALA A 36 6.329 -12.577 -24.641 1.00 0.00 H new ATOM 0 HA ALA A 36 3.953 -11.331 -23.907 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.259 -10.066 -26.011 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.788 -10.239 -25.117 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.470 -11.257 -26.541 1.00 0.00 H new ATOM 543 N ASP A 37 3.544 -13.701 -26.071 1.00 0.00 N ATOM 544 CA ASP A 37 2.551 -14.477 -26.805 1.00 0.00 C ATOM 545 C ASP A 37 1.678 -15.285 -25.849 1.00 0.00 C ATOM 546 O ASP A 37 0.502 -15.524 -26.121 1.00 0.00 O ATOM 547 CB ASP A 37 3.238 -15.411 -27.802 1.00 0.00 C ATOM 548 CG ASP A 37 2.274 -16.400 -28.427 1.00 0.00 C ATOM 549 OD1 ASP A 37 1.231 -15.960 -28.955 1.00 0.00 O ATOM 550 OD2 ASP A 37 2.562 -17.614 -28.389 1.00 0.00 O ATOM 0 H ASP A 37 4.466 -14.135 -26.022 1.00 0.00 H new ATOM 0 HA ASP A 37 1.913 -13.782 -27.351 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.706 -14.818 -28.588 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.035 -15.955 -27.296 1.00 0.00 H new ATOM 555 N GLU A 38 2.264 -15.703 -24.731 1.00 0.00 N ATOM 556 CA GLU A 38 1.539 -16.486 -23.737 1.00 0.00 C ATOM 557 C GLU A 38 0.706 -15.582 -22.834 1.00 0.00 C ATOM 558 O GLU A 38 -0.357 -15.975 -22.353 1.00 0.00 O ATOM 559 CB GLU A 38 2.515 -17.309 -22.894 1.00 0.00 C ATOM 560 CG GLU A 38 1.835 -18.348 -22.017 1.00 0.00 C ATOM 561 CD GLU A 38 2.691 -19.581 -21.803 1.00 0.00 C ATOM 562 OE1 GLU A 38 3.797 -19.446 -21.240 1.00 0.00 O ATOM 563 OE2 GLU A 38 2.254 -20.682 -22.200 1.00 0.00 O ATOM 0 H GLU A 38 3.237 -15.513 -24.491 1.00 0.00 H new ATOM 0 HA GLU A 38 0.866 -17.162 -24.264 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.221 -17.810 -23.556 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.094 -16.635 -22.262 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.597 -17.903 -21.051 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.890 -18.641 -22.474 1.00 0.00 H new ATOM 570 N VAL A 39 1.198 -14.368 -22.606 1.00 0.00 N ATOM 571 CA VAL A 39 0.500 -13.406 -21.761 1.00 0.00 C ATOM 572 C VAL A 39 -0.749 -12.870 -22.454 1.00 0.00 C ATOM 573 O VAL A 39 -1.750 -12.572 -21.804 1.00 0.00 O ATOM 574 CB VAL A 39 1.412 -12.224 -21.385 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.757 -11.402 -22.617 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.750 -11.357 -20.324 1.00 0.00 C ATOM 0 H VAL A 39 2.077 -14.027 -22.995 1.00 0.00 H new ATOM 0 HA VAL A 39 0.210 -13.934 -20.853 1.00 0.00 H new ATOM 0 HB VAL A 39 2.339 -12.621 -20.971 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.402 -10.571 -22.331 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.275 -12.031 -23.341 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.842 -11.014 -23.063 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.408 -10.526 -20.070 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.193 -10.968 -20.708 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.560 -11.955 -19.433 1.00 0.00 H new ATOM 586 N GLN A 40 -0.680 -12.752 -23.776 1.00 0.00 N ATOM 587 CA GLN A 40 -1.806 -12.251 -24.556 1.00 0.00 C ATOM 588 C GLN A 40 -3.033 -13.138 -24.373 1.00 0.00 C ATOM 589 O GLN A 40 -4.156 -12.646 -24.267 1.00 0.00 O ATOM 590 CB GLN A 40 -1.433 -12.176 -26.038 1.00 0.00 C ATOM 591 CG GLN A 40 -2.626 -12.293 -26.972 1.00 0.00 C ATOM 592 CD GLN A 40 -2.231 -12.231 -28.434 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.161 -12.933 -28.788 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.880 -11.560 -29.237 1.00 0.00 N flip ATOM 0 H GLN A 40 0.142 -12.996 -24.329 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.047 -11.250 -24.198 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.924 -11.231 -26.229 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.724 -12.972 -26.266 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.143 -13.233 -26.779 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.332 -11.491 -26.756 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.696 -11.036 -28.921 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.602 -11.529 -30.218 1.00 0.00 H new ATOM 603 N ARG A 41 -2.810 -14.448 -24.336 1.00 0.00 N ATOM 604 CA ARG A 41 -3.897 -15.404 -24.167 1.00 0.00 C ATOM 605 C ARG A 41 -4.289 -15.528 -22.697 1.00 0.00 C ATOM 606 O ARG A 41 -5.391 -15.971 -22.374 1.00 0.00 O ATOM 607 CB ARG A 41 -3.491 -16.773 -24.715 1.00 0.00 C ATOM 608 CG ARG A 41 -2.211 -17.319 -24.104 1.00 0.00 C ATOM 609 CD ARG A 41 -1.830 -18.659 -24.712 1.00 0.00 C ATOM 610 NE ARG A 41 -2.586 -19.762 -24.123 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.693 -20.961 -24.683 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.095 -21.212 -25.840 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.398 -21.913 -24.086 1.00 0.00 N ATOM 0 H ARG A 41 -1.886 -14.871 -24.421 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.759 -15.038 -24.725 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.300 -17.481 -24.536 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.365 -16.700 -25.795 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.401 -16.606 -24.256 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.339 -17.430 -23.027 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.006 -18.632 -25.787 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.764 -18.833 -24.568 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.057 -19.602 -23.233 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.551 -20.483 -26.302 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.179 -22.134 -26.268 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.859 -21.724 -23.196 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.479 -22.834 -24.517 1.00 0.00 H new ATOM 627 N MET A 42 -3.379 -15.134 -21.813 1.00 0.00 N ATOM 628 CA MET A 42 -3.629 -15.201 -20.378 1.00 0.00 C ATOM 629 C MET A 42 -4.478 -14.020 -19.919 1.00 0.00 C ATOM 630 O MET A 42 -5.466 -14.193 -19.205 1.00 0.00 O ATOM 631 CB MET A 42 -2.307 -15.223 -19.608 1.00 0.00 C ATOM 632 CG MET A 42 -1.522 -16.513 -19.786 1.00 0.00 C ATOM 633 SD MET A 42 -1.994 -17.783 -18.597 1.00 0.00 S ATOM 634 CE MET A 42 -0.979 -19.154 -19.145 1.00 0.00 C ATOM 0 H MET A 42 -2.462 -14.765 -22.065 1.00 0.00 H new ATOM 0 HA MET A 42 -4.176 -16.121 -20.173 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.692 -14.385 -19.935 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.511 -15.075 -18.548 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.677 -16.891 -20.796 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.457 -16.303 -19.684 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.595 -20.049 -19.237 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.538 -18.916 -20.113 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.186 -19.333 -18.419 1.00 0.00 H new ATOM 644 N MET A 43 -4.087 -12.819 -20.332 1.00 0.00 N ATOM 645 CA MET A 43 -4.813 -11.609 -19.964 1.00 0.00 C ATOM 646 C MET A 43 -6.284 -11.720 -20.351 1.00 0.00 C ATOM 647 O MET A 43 -7.137 -11.031 -19.791 1.00 0.00 O ATOM 648 CB MET A 43 -4.186 -10.387 -20.637 1.00 0.00 C ATOM 649 CG MET A 43 -3.999 -10.549 -22.137 1.00 0.00 C ATOM 650 SD MET A 43 -4.634 -9.144 -23.072 1.00 0.00 S ATOM 651 CE MET A 43 -4.684 -9.832 -24.725 1.00 0.00 C ATOM 0 H MET A 43 -3.271 -12.658 -20.922 1.00 0.00 H new ATOM 0 HA MET A 43 -4.748 -11.491 -18.882 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.815 -9.516 -20.449 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.218 -10.186 -20.178 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.939 -10.676 -22.355 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.504 -11.457 -22.466 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.006 -9.065 -25.429 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.691 -10.185 -25.002 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.386 -10.666 -24.751 1.00 0.00 H new ATOM 661 N ALA A 44 -6.575 -12.589 -21.314 1.00 0.00 N ATOM 662 CA ALA A 44 -7.943 -12.790 -21.775 1.00 0.00 C ATOM 663 C ALA A 44 -8.812 -13.384 -20.672 1.00 0.00 C ATOM 664 O ALA A 44 -10.038 -13.297 -20.721 1.00 0.00 O ATOM 665 CB ALA A 44 -7.959 -13.687 -23.003 1.00 0.00 C ATOM 0 H ALA A 44 -5.881 -13.165 -21.790 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.357 -11.818 -22.043 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.987 -13.829 -23.337 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.379 -13.222 -23.801 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.522 -14.654 -22.753 1.00 0.00 H new ATOM 671 N GLU A 45 -8.168 -13.989 -19.678 1.00 0.00 N ATOM 672 CA GLU A 45 -8.884 -14.599 -18.564 1.00 0.00 C ATOM 673 C GLU A 45 -9.394 -13.535 -17.597 1.00 0.00 C ATOM 674 O GLU A 45 -10.542 -13.582 -17.155 1.00 0.00 O ATOM 675 CB GLU A 45 -7.977 -15.584 -17.824 1.00 0.00 C ATOM 676 CG GLU A 45 -7.454 -16.709 -18.702 1.00 0.00 C ATOM 677 CD GLU A 45 -8.439 -17.855 -18.829 1.00 0.00 C ATOM 678 OE1 GLU A 45 -9.660 -17.597 -18.778 1.00 0.00 O ATOM 679 OE2 GLU A 45 -7.988 -19.009 -18.980 1.00 0.00 O ATOM 0 H GLU A 45 -7.153 -14.069 -19.622 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.741 -15.138 -18.968 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.131 -15.040 -17.403 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.528 -16.014 -16.987 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.229 -16.316 -19.694 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.518 -17.083 -18.287 1.00 0.00 H new ATOM 686 N ILE A 46 -8.533 -12.577 -17.273 1.00 0.00 N ATOM 687 CA ILE A 46 -8.896 -11.501 -16.359 1.00 0.00 C ATOM 688 C ILE A 46 -9.887 -10.540 -17.007 1.00 0.00 C ATOM 689 O ILE A 46 -10.748 -9.974 -16.335 1.00 0.00 O ATOM 690 CB ILE A 46 -7.656 -10.710 -15.900 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.885 -10.180 -17.111 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.760 -11.584 -15.036 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.764 -9.233 -16.745 1.00 0.00 C ATOM 0 H ILE A 46 -7.579 -12.524 -17.630 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.361 -11.968 -15.491 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.986 -9.860 -15.303 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.472 -11.022 -17.666 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.579 -9.669 -17.778 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.888 -11.011 -14.720 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.314 -11.917 -14.158 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.435 -12.452 -15.610 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.261 -8.897 -17.652 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.173 -8.372 -16.217 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.049 -9.747 -16.103 1.00 0.00 H new ATOM 705 N ASP A 47 -9.759 -10.362 -18.318 1.00 0.00 N ATOM 706 CA ASP A 47 -10.645 -9.471 -19.058 1.00 0.00 C ATOM 707 C ASP A 47 -11.978 -10.151 -19.354 1.00 0.00 C ATOM 708 O ASP A 47 -12.052 -11.070 -20.170 1.00 0.00 O ATOM 709 CB ASP A 47 -9.983 -9.031 -20.366 1.00 0.00 C ATOM 710 CG ASP A 47 -10.713 -7.876 -21.022 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.440 -7.104 -20.223 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.624 -7.680 -22.234 1.00 0.00 O ATOM 0 H ASP A 47 -9.051 -10.823 -18.889 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.835 -8.593 -18.440 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.951 -8.740 -20.168 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.950 -9.875 -21.055 1.00 0.00 H new ATOM 717 N THR A 48 -13.031 -9.692 -18.684 1.00 0.00 N ATOM 718 CA THR A 48 -14.362 -10.256 -18.874 1.00 0.00 C ATOM 719 C THR A 48 -15.176 -9.424 -19.859 1.00 0.00 C ATOM 720 O THR A 48 -16.190 -9.883 -20.384 1.00 0.00 O ATOM 721 CB THR A 48 -15.128 -10.348 -17.541 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.316 -11.130 -17.712 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.496 -8.962 -17.031 1.00 0.00 C ATOM 0 H THR A 48 -12.988 -8.932 -18.005 1.00 0.00 H new ATOM 0 HA THR A 48 -14.226 -11.260 -19.276 1.00 0.00 H new ATOM 0 HB THR A 48 -14.480 -10.827 -16.807 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.706 -10.944 -18.592 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.036 -9.053 -16.089 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.588 -8.379 -16.874 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.127 -8.460 -17.764 1.00 0.00 H new ATOM 731 N ASP A 49 -14.725 -8.199 -20.105 1.00 0.00 N ATOM 732 CA ASP A 49 -15.412 -7.303 -21.028 1.00 0.00 C ATOM 733 C ASP A 49 -14.732 -7.306 -22.394 1.00 0.00 C ATOM 734 O ASP A 49 -15.128 -6.571 -23.298 1.00 0.00 O ATOM 735 CB ASP A 49 -15.444 -5.881 -20.464 1.00 0.00 C ATOM 736 CG ASP A 49 -14.744 -5.774 -19.124 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.377 -6.098 -18.097 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.564 -5.366 -19.101 1.00 0.00 O ATOM 0 H ASP A 49 -13.887 -7.804 -19.678 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.435 -7.660 -21.149 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.971 -5.201 -21.173 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.480 -5.559 -20.356 1.00 0.00 H new ATOM 743 N GLY A 50 -13.705 -8.138 -22.537 1.00 0.00 N ATOM 744 CA GLY A 50 -12.986 -8.220 -23.794 1.00 0.00 C ATOM 745 C GLY A 50 -12.635 -6.855 -24.352 1.00 0.00 C ATOM 746 O GLY A 50 -12.600 -6.664 -25.568 1.00 0.00 O ATOM 0 H GLY A 50 -13.358 -8.757 -21.804 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.072 -8.796 -23.649 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.592 -8.761 -24.521 1.00 0.00 H new ATOM 750 N ASP A 51 -12.376 -5.903 -23.462 1.00 0.00 N ATOM 751 CA ASP A 51 -12.026 -4.548 -23.872 1.00 0.00 C ATOM 752 C ASP A 51 -10.533 -4.293 -23.689 1.00 0.00 C ATOM 753 O ASP A 51 -9.833 -5.076 -23.048 1.00 0.00 O ATOM 754 CB ASP A 51 -12.833 -3.526 -23.070 1.00 0.00 C ATOM 755 CG ASP A 51 -12.273 -3.310 -21.678 1.00 0.00 C ATOM 756 OD1 ASP A 51 -11.930 -4.311 -21.014 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.176 -2.140 -21.253 1.00 0.00 O ATOM 0 H ASP A 51 -12.402 -6.045 -22.452 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.267 -4.441 -24.930 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.845 -2.576 -23.605 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.867 -3.862 -22.994 1.00 0.00 H new ATOM 762 N GLY A 52 -10.052 -3.192 -24.259 1.00 0.00 N ATOM 763 CA GLY A 52 -8.645 -2.854 -24.148 1.00 0.00 C ATOM 764 C GLY A 52 -8.333 -2.076 -22.885 1.00 0.00 C ATOM 765 O GLY A 52 -7.723 -1.008 -22.939 1.00 0.00 O ATOM 0 H GLY A 52 -10.611 -2.529 -24.795 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.053 -3.769 -24.163 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.346 -2.266 -25.016 1.00 0.00 H new ATOM 769 N PHE A 53 -8.754 -2.611 -21.743 1.00 0.00 N ATOM 770 CA PHE A 53 -8.519 -1.959 -20.461 1.00 0.00 C ATOM 771 C PHE A 53 -8.790 -2.918 -19.305 1.00 0.00 C ATOM 772 O PHE A 53 -9.616 -3.824 -19.417 1.00 0.00 O ATOM 773 CB PHE A 53 -9.403 -0.717 -20.326 1.00 0.00 C ATOM 774 CG PHE A 53 -8.779 0.527 -20.891 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.647 1.075 -20.310 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.325 1.147 -22.003 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.072 2.221 -20.828 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.754 2.293 -22.526 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.625 2.829 -21.937 1.00 0.00 C ATOM 0 H PHE A 53 -9.260 -3.495 -21.680 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.472 -1.657 -20.422 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.352 -0.899 -20.831 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.629 -0.554 -19.272 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.209 0.602 -19.443 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.207 0.731 -22.467 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.191 2.640 -20.365 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.190 2.768 -23.393 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.176 3.723 -22.344 1.00 0.00 H new ATOM 789 N ILE A 54 -8.088 -2.711 -18.196 1.00 0.00 N ATOM 790 CA ILE A 54 -8.253 -3.556 -17.020 1.00 0.00 C ATOM 791 C ILE A 54 -8.077 -2.752 -15.736 1.00 0.00 C ATOM 792 O ILE A 54 -7.213 -1.879 -15.651 1.00 0.00 O ATOM 793 CB ILE A 54 -7.250 -4.725 -17.021 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.818 -4.197 -16.905 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.411 -5.560 -18.283 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.780 -5.290 -16.779 1.00 0.00 C ATOM 0 H ILE A 54 -7.400 -1.966 -18.087 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.266 -3.957 -17.060 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.454 -5.360 -16.159 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.591 -3.590 -17.782 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.750 -3.541 -16.037 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.695 -6.382 -18.269 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.424 -5.961 -18.327 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.229 -4.936 -19.158 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.789 -4.843 -16.701 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.982 -5.883 -15.887 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.820 -5.933 -17.658 1.00 0.00 H new ATOM 808 N ASP A 55 -8.901 -3.053 -14.739 1.00 0.00 N ATOM 809 CA ASP A 55 -8.836 -2.360 -13.457 1.00 0.00 C ATOM 810 C ASP A 55 -7.959 -3.124 -12.470 1.00 0.00 C ATOM 811 O ASP A 55 -7.265 -4.071 -12.844 1.00 0.00 O ATOM 812 CB ASP A 55 -10.240 -2.180 -12.878 1.00 0.00 C ATOM 813 CG ASP A 55 -10.589 -0.723 -12.648 1.00 0.00 C ATOM 814 OD1 ASP A 55 -9.946 -0.087 -11.787 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.505 -0.219 -13.330 1.00 0.00 O ATOM 0 H ASP A 55 -9.622 -3.772 -14.793 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.393 -1.379 -13.625 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.969 -2.622 -13.557 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.313 -2.721 -11.935 1.00 0.00 H new ATOM 820 N PHE A 56 -7.994 -2.707 -11.209 1.00 0.00 N ATOM 821 CA PHE A 56 -7.201 -3.351 -10.168 1.00 0.00 C ATOM 822 C PHE A 56 -7.613 -4.810 -9.995 1.00 0.00 C ATOM 823 O PHE A 56 -6.769 -5.689 -9.826 1.00 0.00 O ATOM 824 CB PHE A 56 -7.357 -2.604 -8.842 1.00 0.00 C ATOM 825 CG PHE A 56 -6.185 -2.771 -7.919 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.893 -2.556 -8.371 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.374 -3.144 -6.598 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.812 -2.708 -7.523 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.297 -3.298 -5.745 1.00 0.00 C ATOM 830 CZ PHE A 56 -4.014 -3.081 -6.209 1.00 0.00 C ATOM 0 H PHE A 56 -8.563 -1.926 -10.883 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.155 -3.321 -10.472 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.500 -1.543 -9.047 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.258 -2.956 -8.340 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.729 -2.266 -9.398 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.375 -3.317 -6.230 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.810 -2.535 -7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.458 -3.588 -4.717 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.171 -3.203 -5.545 1.00 0.00 H new ATOM 840 N ASN A 57 -8.918 -5.059 -10.036 1.00 0.00 N ATOM 841 CA ASN A 57 -9.444 -6.410 -9.883 1.00 0.00 C ATOM 842 C ASN A 57 -9.040 -7.289 -11.063 1.00 0.00 C ATOM 843 O ASN A 57 -8.701 -8.459 -10.890 1.00 0.00 O ATOM 844 CB ASN A 57 -10.968 -6.376 -9.756 1.00 0.00 C ATOM 845 CG ASN A 57 -11.455 -6.977 -8.452 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.339 -6.429 -7.794 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.876 -8.110 -8.071 1.00 0.00 N ATOM 0 H ASN A 57 -9.631 -4.342 -10.174 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.020 -6.836 -8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.313 -5.344 -9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.411 -6.919 -10.591 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.161 -8.561 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.147 -8.529 -8.648 1.00 0.00 H new ATOM 854 N GLU A 58 -9.079 -6.715 -12.261 1.00 0.00 N ATOM 855 CA GLU A 58 -8.717 -7.447 -13.470 1.00 0.00 C ATOM 856 C GLU A 58 -7.228 -7.782 -13.477 1.00 0.00 C ATOM 857 O GLU A 58 -6.843 -8.946 -13.590 1.00 0.00 O ATOM 858 CB GLU A 58 -9.073 -6.629 -14.713 1.00 0.00 C ATOM 859 CG GLU A 58 -10.547 -6.688 -15.078 1.00 0.00 C ATOM 860 CD GLU A 58 -10.810 -6.266 -16.511 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.164 -6.823 -17.422 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.663 -5.378 -16.720 1.00 0.00 O ATOM 0 H GLU A 58 -9.357 -5.747 -12.421 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.282 -8.379 -13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.790 -5.590 -14.547 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.484 -6.990 -15.556 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.914 -7.703 -14.929 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.111 -6.043 -14.404 1.00 0.00 H new ATOM 869 N PHE A 59 -6.395 -6.753 -13.357 1.00 0.00 N ATOM 870 CA PHE A 59 -4.949 -6.937 -13.351 1.00 0.00 C ATOM 871 C PHE A 59 -4.526 -7.891 -12.238 1.00 0.00 C ATOM 872 O PHE A 59 -3.639 -8.725 -12.424 1.00 0.00 O ATOM 873 CB PHE A 59 -4.243 -5.591 -13.180 1.00 0.00 C ATOM 874 CG PHE A 59 -2.757 -5.662 -13.388 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.232 -6.191 -14.556 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.885 -5.202 -12.414 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.865 -6.258 -14.750 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.517 -5.266 -12.603 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.007 -5.796 -13.772 1.00 0.00 C ATOM 0 H PHE A 59 -6.697 -5.783 -13.263 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.660 -7.372 -14.308 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.667 -4.876 -13.885 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.444 -5.209 -12.179 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.899 -6.555 -15.324 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.279 -4.789 -11.497 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.469 -6.671 -15.666 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.152 -4.902 -11.837 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.061 -5.849 -13.921 1.00 0.00 H new ATOM 889 N ILE A 60 -5.167 -7.762 -11.081 1.00 0.00 N ATOM 890 CA ILE A 60 -4.859 -8.612 -9.938 1.00 0.00 C ATOM 891 C ILE A 60 -5.214 -10.068 -10.224 1.00 0.00 C ATOM 892 O ILE A 60 -4.425 -10.974 -9.957 1.00 0.00 O ATOM 893 CB ILE A 60 -5.608 -8.151 -8.675 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.913 -6.935 -8.059 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.694 -9.286 -7.665 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.643 -7.278 -7.313 1.00 0.00 C ATOM 0 H ILE A 60 -5.903 -7.077 -10.911 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.786 -8.530 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.621 -7.864 -8.956 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.679 -6.222 -8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.603 -6.440 -7.376 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.226 -8.944 -6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.228 -10.127 -8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.689 -9.602 -7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.205 -6.368 -6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.873 -7.968 -6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.935 -7.746 -7.997 1.00 0.00 H new ATOM 908 N SER A 61 -6.407 -10.284 -10.769 1.00 0.00 N ATOM 909 CA SER A 61 -6.869 -11.629 -11.089 1.00 0.00 C ATOM 910 C SER A 61 -5.804 -12.399 -11.864 1.00 0.00 C ATOM 911 O SER A 61 -5.750 -13.628 -11.815 1.00 0.00 O ATOM 912 CB SER A 61 -8.163 -11.567 -11.903 1.00 0.00 C ATOM 913 OG SER A 61 -8.488 -12.837 -12.441 1.00 0.00 O ATOM 0 H SER A 61 -7.071 -9.544 -10.998 1.00 0.00 H new ATOM 0 HA SER A 61 -7.062 -12.152 -10.153 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.978 -11.217 -11.270 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.054 -10.843 -12.711 1.00 0.00 H new ATOM 0 HG SER A 61 -9.320 -12.771 -12.955 1.00 0.00 H new ATOM 919 N PHE A 62 -4.957 -11.667 -12.580 1.00 0.00 N ATOM 920 CA PHE A 62 -3.893 -12.279 -13.367 1.00 0.00 C ATOM 921 C PHE A 62 -2.823 -12.881 -12.460 1.00 0.00 C ATOM 922 O PHE A 62 -2.351 -13.994 -12.694 1.00 0.00 O ATOM 923 CB PHE A 62 -3.262 -11.246 -14.302 1.00 0.00 C ATOM 924 CG PHE A 62 -2.555 -11.855 -15.479 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.544 -12.784 -15.292 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.901 -11.499 -16.773 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.892 -13.346 -16.373 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.252 -12.058 -17.858 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.247 -12.983 -17.657 1.00 0.00 C ATOM 0 H PHE A 62 -4.987 -10.649 -12.631 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.331 -13.079 -13.964 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.039 -10.573 -14.664 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.554 -10.641 -13.736 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.262 -13.072 -14.290 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.687 -10.776 -16.936 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.105 -14.069 -16.214 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.531 -11.772 -18.861 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.739 -13.422 -18.503 1.00 0.00 H new ATOM 939 N CYS A 63 -2.446 -12.137 -11.426 1.00 0.00 N ATOM 940 CA CYS A 63 -1.431 -12.596 -10.484 1.00 0.00 C ATOM 941 C CYS A 63 -2.003 -13.646 -9.538 1.00 0.00 C ATOM 942 O CYS A 63 -1.365 -14.662 -9.264 1.00 0.00 O ATOM 943 CB CYS A 63 -0.879 -11.416 -9.683 1.00 0.00 C ATOM 944 SG CYS A 63 0.416 -11.866 -8.504 1.00 0.00 S ATOM 0 H CYS A 63 -2.827 -11.214 -11.219 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.620 -13.050 -11.053 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.483 -10.674 -10.376 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.699 -10.942 -9.143 1.00 0.00 H new ATOM 0 HG CYS A 63 1.121 -10.814 -8.212 1.00 0.00 H new ATOM 950 N ASN A 64 -3.209 -13.392 -9.039 1.00 0.00 N ATOM 951 CA ASN A 64 -3.866 -14.315 -8.121 1.00 0.00 C ATOM 952 C ASN A 64 -4.009 -15.698 -8.749 1.00 0.00 C ATOM 953 O ASN A 64 -4.112 -16.702 -8.045 1.00 0.00 O ATOM 954 CB ASN A 64 -5.242 -13.778 -7.724 1.00 0.00 C ATOM 955 CG ASN A 64 -5.268 -13.248 -6.303 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.777 -13.904 -5.393 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.718 -12.056 -6.106 1.00 0.00 N ATOM 0 H ASN A 64 -3.750 -12.555 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.246 -14.404 -7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.531 -12.982 -8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.982 -14.572 -7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.706 -11.648 -5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.308 -11.548 -6.890 1.00 0.00 H new ATOM 964 N ALA A 65 -4.013 -15.741 -10.077 1.00 0.00 N ATOM 965 CA ALA A 65 -4.140 -17.000 -10.800 1.00 0.00 C ATOM 966 C ALA A 65 -2.801 -17.725 -10.881 1.00 0.00 C ATOM 967 O ALA A 65 -2.750 -18.927 -11.135 1.00 0.00 O ATOM 968 CB ALA A 65 -4.695 -16.754 -12.195 1.00 0.00 C ATOM 0 H ALA A 65 -3.930 -14.918 -10.674 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.835 -17.636 -10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.784 -17.703 -12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.677 -16.287 -12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.022 -16.095 -12.744 1.00 0.00 H new ATOM 974 N ASN A 66 -1.719 -16.984 -10.664 1.00 0.00 N ATOM 975 CA ASN A 66 -0.378 -17.557 -10.714 1.00 0.00 C ATOM 976 C ASN A 66 -0.188 -18.387 -11.980 1.00 0.00 C ATOM 977 O ASN A 66 0.177 -19.562 -11.933 1.00 0.00 O ATOM 978 CB ASN A 66 -0.125 -18.424 -9.479 1.00 0.00 C ATOM 979 CG ASN A 66 0.035 -17.600 -8.216 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.149 -17.245 -7.830 1.00 0.00 O ATOM 981 ND2 ASN A 66 -1.081 -17.291 -7.566 1.00 0.00 N ATOM 0 H ASN A 66 -1.744 -15.987 -10.452 1.00 0.00 H new ATOM 0 HA ASN A 66 0.340 -16.737 -10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.953 -19.121 -9.352 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.773 -19.021 -9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.036 -16.738 -6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.983 -17.607 -7.923 1.00 0.00 H new ATOM 988 N PRO A 67 -0.440 -17.762 -13.140 1.00 0.00 N ATOM 989 CA PRO A 67 -0.302 -18.424 -14.441 1.00 0.00 C ATOM 990 C PRO A 67 1.153 -18.706 -14.796 1.00 0.00 C ATOM 991 O PRO A 67 1.450 -19.630 -15.552 1.00 0.00 O ATOM 992 CB PRO A 67 -0.905 -17.412 -15.419 1.00 0.00 C ATOM 993 CG PRO A 67 -0.747 -16.093 -14.744 1.00 0.00 C ATOM 994 CD PRO A 67 -0.879 -16.363 -13.271 1.00 0.00 C ATOM 0 HA PRO A 67 -0.792 -19.398 -14.457 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.387 -17.431 -16.378 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.954 -17.631 -15.619 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.222 -15.650 -14.974 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.507 -15.389 -15.081 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.257 -15.690 -12.682 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.905 -16.230 -12.928 1.00 0.00 H new ATOM 1002 N GLY A 68 2.059 -17.903 -14.245 1.00 0.00 N ATOM 1003 CA GLY A 68 3.473 -18.084 -14.516 1.00 0.00 C ATOM 1004 C GLY A 68 4.029 -17.013 -15.433 1.00 0.00 C ATOM 1005 O GLY A 68 5.153 -17.128 -15.925 1.00 0.00 O ATOM 0 H GLY A 68 1.839 -17.131 -13.616 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.024 -18.075 -13.576 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.631 -19.063 -14.968 1.00 0.00 H new ATOM 1009 N LEU A 69 3.241 -15.969 -15.667 1.00 0.00 N ATOM 1010 CA LEU A 69 3.661 -14.873 -16.533 1.00 0.00 C ATOM 1011 C LEU A 69 4.114 -13.671 -15.710 1.00 0.00 C ATOM 1012 O LEU A 69 5.260 -13.236 -15.808 1.00 0.00 O ATOM 1013 CB LEU A 69 2.517 -14.466 -17.464 1.00 0.00 C ATOM 1014 CG LEU A 69 2.093 -15.507 -18.500 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.275 -15.909 -19.368 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.492 -16.726 -17.816 1.00 0.00 C ATOM 0 H LEU A 69 2.308 -15.859 -15.269 1.00 0.00 H new ATOM 0 HA LEU A 69 4.504 -15.218 -17.132 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.649 -14.216 -16.853 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.809 -13.557 -17.990 1.00 0.00 H new ATOM 0 HG LEU A 69 1.332 -15.063 -19.142 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.954 -16.651 -20.099 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.661 -15.031 -19.887 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.059 -16.334 -18.741 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.196 -17.457 -18.569 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.231 -17.171 -17.150 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.618 -16.425 -17.239 1.00 0.00 H new ATOM 1028 N MET A 70 3.205 -13.140 -14.898 1.00 0.00 N ATOM 1029 CA MET A 70 3.513 -11.991 -14.055 1.00 0.00 C ATOM 1030 C MET A 70 4.674 -12.301 -13.116 1.00 0.00 C ATOM 1031 O MET A 70 5.365 -11.396 -12.646 1.00 0.00 O ATOM 1032 CB MET A 70 2.281 -11.582 -13.244 1.00 0.00 C ATOM 1033 CG MET A 70 1.042 -11.357 -14.095 1.00 0.00 C ATOM 1034 SD MET A 70 0.558 -9.621 -14.173 1.00 0.00 S ATOM 1035 CE MET A 70 1.713 -9.003 -15.394 1.00 0.00 C ATOM 0 H MET A 70 2.250 -13.487 -14.806 1.00 0.00 H new ATOM 0 HA MET A 70 3.804 -11.164 -14.703 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.069 -12.355 -12.505 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.505 -10.668 -12.694 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.228 -11.724 -15.104 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.217 -11.942 -13.690 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.409 -8.005 -15.710 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.712 -8.958 -14.960 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.722 -9.670 -16.256 1.00 0.00 H new ATOM 1045 N LYS A 71 4.884 -13.584 -12.845 1.00 0.00 N ATOM 1046 CA LYS A 71 5.962 -14.014 -11.962 1.00 0.00 C ATOM 1047 C LYS A 71 7.278 -13.347 -12.347 1.00 0.00 C ATOM 1048 O LYS A 71 8.012 -12.859 -11.487 1.00 0.00 O ATOM 1049 CB LYS A 71 6.114 -15.536 -12.014 1.00 0.00 C ATOM 1050 CG LYS A 71 4.848 -16.288 -11.641 1.00 0.00 C ATOM 1051 CD LYS A 71 4.593 -16.243 -10.144 1.00 0.00 C ATOM 1052 CE LYS A 71 3.628 -15.127 -9.776 1.00 0.00 C ATOM 1053 NZ LYS A 71 3.910 -14.572 -8.423 1.00 0.00 N ATOM 0 H LYS A 71 4.321 -14.345 -13.224 1.00 0.00 H new ATOM 0 HA LYS A 71 5.708 -13.715 -10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.417 -15.828 -13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.916 -15.836 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.998 -15.856 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.931 -17.325 -11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.187 -17.199 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.536 -16.098 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.695 -14.330 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.606 -15.506 -9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.230 -13.814 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.821 -15.326 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.876 -14.187 -8.400 1.00 0.00 H new ATOM 1067 N ASP A 72 7.571 -13.329 -13.642 1.00 0.00 N ATOM 1068 CA ASP A 72 8.798 -12.719 -14.141 1.00 0.00 C ATOM 1069 C ASP A 72 8.615 -11.219 -14.346 1.00 0.00 C ATOM 1070 O ASP A 72 9.572 -10.449 -14.259 1.00 0.00 O ATOM 1071 CB ASP A 72 9.223 -13.378 -15.454 1.00 0.00 C ATOM 1072 CG ASP A 72 9.610 -14.833 -15.274 1.00 0.00 C ATOM 1073 OD1 ASP A 72 8.707 -15.694 -15.302 1.00 0.00 O ATOM 1074 OD2 ASP A 72 10.816 -15.109 -15.104 1.00 0.00 O ATOM 0 H ASP A 72 6.975 -13.730 -14.366 1.00 0.00 H new ATOM 0 HA ASP A 72 9.580 -12.873 -13.397 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.406 -13.309 -16.173 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.066 -12.830 -15.876 1.00 0.00 H new ATOM 1079 N VAL A 73 7.380 -10.810 -14.619 1.00 0.00 N ATOM 1080 CA VAL A 73 7.071 -9.402 -14.836 1.00 0.00 C ATOM 1081 C VAL A 73 7.230 -8.600 -13.550 1.00 0.00 C ATOM 1082 O VAL A 73 8.059 -7.694 -13.470 1.00 0.00 O ATOM 1083 CB VAL A 73 5.638 -9.217 -15.370 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.354 -7.748 -15.639 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.426 -10.049 -16.626 1.00 0.00 C ATOM 0 H VAL A 73 6.577 -11.434 -14.695 1.00 0.00 H new ATOM 0 HA VAL A 73 7.778 -9.034 -15.580 1.00 0.00 H new ATOM 0 HB VAL A 73 4.938 -9.564 -14.610 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.337 -7.637 -16.016 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.462 -7.181 -14.714 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.059 -7.371 -16.380 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.408 -9.906 -16.990 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.133 -9.735 -17.394 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.584 -11.103 -16.396 1.00 0.00 H new ATOM 1095 N ALA A 74 6.431 -8.939 -12.544 1.00 0.00 N ATOM 1096 CA ALA A 74 6.484 -8.252 -11.260 1.00 0.00 C ATOM 1097 C ALA A 74 7.905 -8.234 -10.706 1.00 0.00 C ATOM 1098 O ALA A 74 8.264 -7.359 -9.918 1.00 0.00 O ATOM 1099 CB ALA A 74 5.538 -8.913 -10.268 1.00 0.00 C ATOM 0 H ALA A 74 5.739 -9.686 -12.594 1.00 0.00 H new ATOM 0 HA ALA A 74 6.168 -7.220 -11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.588 -8.389 -9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.519 -8.870 -10.653 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.828 -9.954 -10.127 1.00 0.00 H new ATOM 1105 N LYS A 75 8.710 -9.205 -11.123 1.00 0.00 N ATOM 1106 CA LYS A 75 10.093 -9.300 -10.670 1.00 0.00 C ATOM 1107 C LYS A 75 10.890 -8.071 -11.093 1.00 0.00 C ATOM 1108 O LYS A 75 11.824 -7.657 -10.406 1.00 0.00 O ATOM 1109 CB LYS A 75 10.749 -10.564 -11.230 1.00 0.00 C ATOM 1110 CG LYS A 75 11.766 -10.288 -12.324 1.00 0.00 C ATOM 1111 CD LYS A 75 12.187 -11.567 -13.029 1.00 0.00 C ATOM 1112 CE LYS A 75 12.729 -12.593 -12.046 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.031 -13.158 -12.496 1.00 0.00 N ATOM 0 H LYS A 75 8.429 -9.938 -11.774 1.00 0.00 H new ATOM 0 HA LYS A 75 10.089 -9.352 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.239 -11.100 -10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.974 -11.222 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.342 -9.594 -13.050 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.642 -9.803 -11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.334 -11.987 -13.562 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.948 -11.339 -13.775 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.853 -12.128 -11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.005 -13.399 -11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.367 -13.853 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.907 -13.624 -13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.729 -12.392 -12.586 1.00 0.00 H new ATOM 1127 N VAL A 76 10.515 -7.490 -12.229 1.00 0.00 N ATOM 1128 CA VAL A 76 11.194 -6.306 -12.742 1.00 0.00 C ATOM 1129 C VAL A 76 10.335 -5.059 -12.564 1.00 0.00 C ATOM 1130 O VAL A 76 10.500 -4.071 -13.279 1.00 0.00 O ATOM 1131 CB VAL A 76 11.548 -6.464 -14.233 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.627 -7.519 -14.417 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.306 -6.812 -15.040 1.00 0.00 C ATOM 0 H VAL A 76 9.745 -7.820 -12.811 1.00 0.00 H new ATOM 0 HA VAL A 76 12.114 -6.195 -12.168 1.00 0.00 H new ATOM 0 HB VAL A 76 11.938 -5.514 -14.599 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.864 -7.616 -15.477 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.523 -7.223 -13.871 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.269 -8.475 -14.036 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.574 -6.920 -16.091 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.885 -7.749 -14.674 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.568 -6.017 -14.933 1.00 0.00 H new ATOM 1143 N PHE A 77 9.417 -5.112 -11.605 1.00 0.00 N ATOM 1144 CA PHE A 77 8.530 -3.987 -11.332 1.00 0.00 C ATOM 1145 C PHE A 77 9.298 -2.829 -10.703 1.00 0.00 C ATOM 1146 O PHE A 77 9.148 -1.678 -11.110 1.00 0.00 O ATOM 1147 CB PHE A 77 7.391 -4.421 -10.407 1.00 0.00 C ATOM 1148 CG PHE A 77 7.756 -4.386 -8.951 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.951 -4.930 -8.509 1.00 0.00 C ATOM 1150 CD2 PHE A 77 6.903 -3.810 -8.023 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.290 -4.900 -7.169 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.237 -3.776 -6.682 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.431 -4.323 -6.255 1.00 0.00 C ATOM 0 H PHE A 77 9.268 -5.922 -11.004 1.00 0.00 H new ATOM 0 HA PHE A 77 8.110 -3.649 -12.280 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.531 -3.772 -10.574 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.083 -5.433 -10.672 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.626 -5.383 -9.220 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.967 -3.383 -8.351 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.225 -5.327 -6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.565 -3.322 -5.969 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.692 -4.299 -5.207 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.316 -5.432 -19.098 1.00 0.00 MG