USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 514 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -130:sc= -0.281 (180deg=-1.13) USER MOD Single : A 4 SER OG : rot 180:sc= 0.07 USER MOD Single : A 5 THR OG1 : rot 25:sc= 0.219 USER MOD Single : A 6 SER OG : rot 60:sc= 0.128 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -6:sc= -0.423 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 23 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 43:sc= -3.4 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= 0.0311! F(o=-0.67,f=0.031!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.75 K(o=-1.8,f=-2.4) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 170:sc= -0.791 USER MOD Single : A 59 ASN :FLIP amide:sc= -2.88! F(o=-4.1,f=-2.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 67 SER OG : rot 36:sc= 0.769 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.379 10.555 -3.577 1.00 0.00 N ATOM 2 CA GLY A 1 34.360 11.792 -4.408 1.00 0.00 C ATOM 3 C GLY A 1 35.387 12.787 -3.868 1.00 0.00 C ATOM 4 O GLY A 1 35.087 13.603 -3.018 1.00 0.00 O ATOM 0 H1 GLY A 1 33.680 9.879 -3.945 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.326 10.127 -3.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.144 10.794 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.585 11.548 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.365 12.237 -4.394 1.00 0.00 H new ATOM 10 N SER A 2 36.604 12.725 -4.357 1.00 0.00 N ATOM 11 CA SER A 2 37.675 13.664 -3.883 1.00 0.00 C ATOM 12 C SER A 2 37.787 13.634 -2.353 1.00 0.00 C ATOM 13 O SER A 2 37.102 14.360 -1.659 1.00 0.00 O ATOM 14 CB SER A 2 37.241 15.052 -4.361 1.00 0.00 C ATOM 15 OG SER A 2 36.807 14.969 -5.712 1.00 0.00 O ATOM 0 H SER A 2 36.904 12.060 -5.069 1.00 0.00 H new ATOM 0 HA SER A 2 38.654 13.387 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.436 15.431 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 2 38.070 15.754 -4.276 1.00 0.00 H new ATOM 0 HG SER A 2 36.527 15.856 -6.021 1.00 0.00 H new ATOM 21 N MET A 3 38.647 12.797 -1.831 1.00 0.00 N ATOM 22 CA MET A 3 38.812 12.711 -0.349 1.00 0.00 C ATOM 23 C MET A 3 39.890 13.691 0.122 1.00 0.00 C ATOM 24 O MET A 3 39.646 14.539 0.959 1.00 0.00 O ATOM 25 CB MET A 3 39.246 11.269 -0.082 1.00 0.00 C ATOM 26 CG MET A 3 39.240 11.004 1.425 1.00 0.00 C ATOM 27 SD MET A 3 38.902 9.253 1.729 1.00 0.00 S ATOM 28 CE MET A 3 37.163 9.268 1.227 1.00 0.00 C ATOM 0 H MET A 3 39.243 12.168 -2.369 1.00 0.00 H new ATOM 0 HA MET A 3 37.896 12.967 0.183 1.00 0.00 H new ATOM 0 HB2 MET A 3 38.572 10.576 -0.586 1.00 0.00 H new ATOM 0 HB3 MET A 3 40.243 11.097 -0.488 1.00 0.00 H new ATOM 0 HG2 MET A 3 40.202 11.280 1.857 1.00 0.00 H new ATOM 0 HG3 MET A 3 38.484 11.621 1.910 1.00 0.00 H new ATOM 0 HE1 MET A 3 36.557 8.795 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 3 36.834 10.298 1.087 1.00 0.00 H new ATOM 0 HE3 MET A 3 37.050 8.720 0.292 1.00 0.00 H new ATOM 38 N SER A 4 41.079 13.579 -0.414 1.00 0.00 N ATOM 39 CA SER A 4 42.181 14.501 -0.004 1.00 0.00 C ATOM 40 C SER A 4 43.023 14.892 -1.222 1.00 0.00 C ATOM 41 O SER A 4 43.089 16.048 -1.590 1.00 0.00 O ATOM 42 CB SER A 4 43.018 13.699 0.991 1.00 0.00 C ATOM 43 OG SER A 4 43.292 12.415 0.447 1.00 0.00 O ATOM 0 H SER A 4 41.334 12.888 -1.119 1.00 0.00 H new ATOM 0 HA SER A 4 41.805 15.426 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 4 43.950 14.222 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 4 42.484 13.600 1.936 1.00 0.00 H new ATOM 0 HG SER A 4 43.830 11.899 1.082 1.00 0.00 H new ATOM 49 N THR A 5 43.670 13.928 -1.840 1.00 0.00 N ATOM 50 CA THR A 5 44.528 14.199 -3.048 1.00 0.00 C ATOM 51 C THR A 5 45.410 15.443 -2.850 1.00 0.00 C ATOM 52 O THR A 5 45.279 16.426 -3.554 1.00 0.00 O ATOM 53 CB THR A 5 43.549 14.405 -4.212 1.00 0.00 C ATOM 54 OG1 THR A 5 42.721 15.529 -3.955 1.00 0.00 O ATOM 55 CG2 THR A 5 42.682 13.156 -4.383 1.00 0.00 C ATOM 0 H THR A 5 43.641 12.949 -1.555 1.00 0.00 H new ATOM 0 HA THR A 5 45.214 13.373 -3.235 1.00 0.00 H new ATOM 0 HB THR A 5 44.115 14.580 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 5 43.182 16.142 -3.345 1.00 0.00 H new ATOM 0 HG21 THR A 5 41.988 13.305 -5.210 1.00 0.00 H new ATOM 0 HG22 THR A 5 43.319 12.297 -4.594 1.00 0.00 H new ATOM 0 HG23 THR A 5 42.121 12.975 -3.467 1.00 0.00 H new ATOM 63 N SER A 6 46.304 15.400 -1.894 1.00 0.00 N ATOM 64 CA SER A 6 47.197 16.570 -1.642 1.00 0.00 C ATOM 65 C SER A 6 48.663 16.167 -1.836 1.00 0.00 C ATOM 66 O SER A 6 49.400 15.993 -0.884 1.00 0.00 O ATOM 67 CB SER A 6 46.933 16.962 -0.188 1.00 0.00 C ATOM 68 OG SER A 6 46.958 15.796 0.624 1.00 0.00 O ATOM 0 H SER A 6 46.453 14.602 -1.276 1.00 0.00 H new ATOM 0 HA SER A 6 47.003 17.395 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 6 47.687 17.672 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 6 45.966 17.458 -0.103 1.00 0.00 H new ATOM 0 HG SER A 6 47.833 15.362 0.547 1.00 0.00 H new ATOM 74 N GLU A 7 49.090 16.019 -3.068 1.00 0.00 N ATOM 75 CA GLU A 7 50.511 15.626 -3.349 1.00 0.00 C ATOM 76 C GLU A 7 50.893 14.363 -2.566 1.00 0.00 C ATOM 77 O GLU A 7 51.555 14.432 -1.548 1.00 0.00 O ATOM 78 CB GLU A 7 51.360 16.817 -2.893 1.00 0.00 C ATOM 79 CG GLU A 7 51.178 17.980 -3.872 1.00 0.00 C ATOM 80 CD GLU A 7 52.187 17.849 -5.013 1.00 0.00 C ATOM 81 OE1 GLU A 7 51.866 17.192 -5.990 1.00 0.00 O ATOM 82 OE2 GLU A 7 53.264 18.409 -4.892 1.00 0.00 O ATOM 0 H GLU A 7 48.512 16.154 -3.897 1.00 0.00 H new ATOM 0 HA GLU A 7 50.663 15.397 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 7 51.066 17.124 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 7 52.411 16.530 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 7 50.163 17.980 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 7 51.318 18.929 -3.355 1.00 0.00 H new ATOM 89 N LEU A 8 50.482 13.215 -3.041 1.00 0.00 N ATOM 90 CA LEU A 8 50.816 11.943 -2.334 1.00 0.00 C ATOM 91 C LEU A 8 52.217 11.469 -2.734 1.00 0.00 C ATOM 92 O LEU A 8 52.938 12.162 -3.427 1.00 0.00 O ATOM 93 CB LEU A 8 49.759 10.941 -2.799 1.00 0.00 C ATOM 94 CG LEU A 8 48.429 11.243 -2.107 1.00 0.00 C ATOM 95 CD1 LEU A 8 47.273 10.801 -3.006 1.00 0.00 C ATOM 96 CD2 LEU A 8 48.361 10.484 -0.780 1.00 0.00 C ATOM 0 H LEU A 8 49.928 13.104 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 8 50.817 12.061 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 8 49.639 10.999 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 50.079 9.925 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 8 48.353 12.314 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 8 46.325 11.016 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.321 11.341 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.348 9.730 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 8 47.413 10.699 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 8 48.437 9.413 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 8 49.184 10.799 -0.138 1.00 0.00 H new ATOM 108 N LYS A 9 52.602 10.296 -2.302 1.00 0.00 N ATOM 109 CA LYS A 9 53.955 9.770 -2.654 1.00 0.00 C ATOM 110 C LYS A 9 53.852 8.314 -3.120 1.00 0.00 C ATOM 111 O LYS A 9 52.791 7.843 -3.484 1.00 0.00 O ATOM 112 CB LYS A 9 54.770 9.869 -1.360 1.00 0.00 C ATOM 113 CG LYS A 9 56.156 10.444 -1.666 1.00 0.00 C ATOM 114 CD LYS A 9 56.638 11.277 -0.476 1.00 0.00 C ATOM 115 CE LYS A 9 58.126 11.591 -0.640 1.00 0.00 C ATOM 116 NZ LYS A 9 58.283 12.983 -0.134 1.00 0.00 N ATOM 0 H LYS A 9 52.037 9.678 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 9 54.417 10.329 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 9 54.253 10.504 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 9 54.867 8.884 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.860 9.636 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 9 56.115 11.062 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 9 56.066 12.202 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 9 56.471 10.733 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 9 58.742 10.893 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 9 58.434 11.513 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.279 13.271 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 57.690 13.626 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 57.989 13.025 0.863 1.00 0.00 H new ATOM 130 N LYS A 10 54.951 7.605 -3.113 1.00 0.00 N ATOM 131 CA LYS A 10 54.934 6.175 -3.560 1.00 0.00 C ATOM 132 C LYS A 10 56.260 5.493 -3.202 1.00 0.00 C ATOM 133 O LYS A 10 57.161 6.117 -2.678 1.00 0.00 O ATOM 134 CB LYS A 10 54.723 6.218 -5.082 1.00 0.00 C ATOM 135 CG LYS A 10 55.755 7.136 -5.739 1.00 0.00 C ATOM 136 CD LYS A 10 55.220 8.570 -5.776 1.00 0.00 C ATOM 137 CE LYS A 10 55.821 9.310 -6.972 1.00 0.00 C ATOM 138 NZ LYS A 10 55.595 10.754 -6.684 1.00 0.00 N ATOM 0 H LYS A 10 55.863 7.953 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 10 54.146 5.602 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.806 5.213 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.717 6.573 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.692 7.101 -5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.971 6.792 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.133 8.562 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.473 9.087 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 10 56.883 9.090 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 10 55.339 9.013 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.981 11.328 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.575 10.935 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.071 11.010 -5.796 1.00 0.00 H new ATOM 152 N VAL A 11 56.381 4.216 -3.484 1.00 0.00 N ATOM 153 CA VAL A 11 57.643 3.472 -3.159 1.00 0.00 C ATOM 154 C VAL A 11 57.713 2.194 -3.992 1.00 0.00 C ATOM 155 O VAL A 11 56.738 1.777 -4.582 1.00 0.00 O ATOM 156 CB VAL A 11 57.585 3.101 -1.663 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.928 4.321 -0.808 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.191 2.582 -1.283 1.00 0.00 C ATOM 0 H VAL A 11 55.655 3.653 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 11 58.518 4.083 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 11 58.313 2.311 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.885 4.050 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.932 4.666 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.212 5.118 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.174 2.327 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.448 3.355 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.959 1.696 -1.874 1.00 0.00 H new ATOM 168 N VAL A 12 58.857 1.566 -4.035 1.00 0.00 N ATOM 169 CA VAL A 12 59.003 0.309 -4.823 1.00 0.00 C ATOM 170 C VAL A 12 58.865 -0.893 -3.861 1.00 0.00 C ATOM 171 O VAL A 12 58.702 -0.723 -2.670 1.00 0.00 O ATOM 172 CB VAL A 12 60.425 0.446 -5.439 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.226 -0.864 -5.436 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.305 0.930 -6.880 1.00 0.00 C ATOM 0 H VAL A 12 59.703 1.873 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 12 58.255 0.151 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 12 60.963 1.159 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.206 -0.692 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.348 -1.213 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.693 -1.618 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.300 1.027 -7.315 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.725 0.211 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.805 1.898 -6.898 1.00 0.00 H new ATOM 184 N ALA A 13 58.948 -2.096 -4.371 1.00 0.00 N ATOM 185 CA ALA A 13 58.844 -3.303 -3.495 1.00 0.00 C ATOM 186 C ALA A 13 60.060 -4.207 -3.718 1.00 0.00 C ATOM 187 O ALA A 13 60.458 -4.453 -4.842 1.00 0.00 O ATOM 188 CB ALA A 13 57.561 -4.011 -3.929 1.00 0.00 C ATOM 0 H ALA A 13 59.084 -2.295 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 13 58.819 -3.046 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.419 -4.909 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.711 -3.343 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.636 -4.287 -4.981 1.00 0.00 H new ATOM 194 N LEU A 14 60.654 -4.698 -2.660 1.00 0.00 N ATOM 195 CA LEU A 14 61.851 -5.581 -2.810 1.00 0.00 C ATOM 196 C LEU A 14 61.433 -7.052 -2.845 1.00 0.00 C ATOM 197 O LEU A 14 61.472 -7.691 -3.879 1.00 0.00 O ATOM 198 CB LEU A 14 62.718 -5.295 -1.582 1.00 0.00 C ATOM 199 CG LEU A 14 63.241 -3.859 -1.649 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.808 -3.457 -0.285 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.345 -3.768 -2.707 1.00 0.00 C ATOM 0 H LEU A 14 60.362 -4.526 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 14 62.387 -5.387 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.136 -5.439 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.552 -5.995 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 14 62.425 -3.187 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.181 -2.434 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.023 -3.522 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.624 -4.128 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.719 -2.745 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.161 -4.440 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.942 -4.054 -3.679 1.00 0.00 H new ATOM 213 N TYR A 15 61.039 -7.592 -1.722 1.00 0.00 N ATOM 214 CA TYR A 15 60.623 -9.027 -1.682 1.00 0.00 C ATOM 215 C TYR A 15 59.097 -9.140 -1.694 1.00 0.00 C ATOM 216 O TYR A 15 58.391 -8.155 -1.589 1.00 0.00 O ATOM 217 CB TYR A 15 61.186 -9.576 -0.370 1.00 0.00 C ATOM 218 CG TYR A 15 62.691 -9.455 -0.369 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.462 -10.288 -1.190 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.317 -8.508 0.452 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.857 -10.174 -1.188 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.712 -8.395 0.454 1.00 0.00 C ATOM 223 CZ TYR A 15 65.483 -9.228 -0.367 1.00 0.00 C ATOM 224 OH TYR A 15 66.858 -9.117 -0.366 1.00 0.00 O ATOM 0 H TYR A 15 60.987 -7.102 -0.829 1.00 0.00 H new ATOM 0 HA TYR A 15 60.991 -9.580 -2.546 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.767 -9.028 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.896 -10.619 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.980 -11.018 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.723 -7.865 1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.451 -10.817 -1.821 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.194 -7.666 1.088 1.00 0.00 H new ATOM 0 HH TYR A 15 67.129 -8.412 0.259 1.00 0.00 H new ATOM 234 N ASP A 16 58.591 -10.337 -1.824 1.00 0.00 N ATOM 235 CA ASP A 16 57.109 -10.536 -1.848 1.00 0.00 C ATOM 236 C ASP A 16 56.524 -10.419 -0.437 1.00 0.00 C ATOM 237 O ASP A 16 57.210 -10.610 0.549 1.00 0.00 O ATOM 238 CB ASP A 16 56.903 -11.949 -2.399 1.00 0.00 C ATOM 239 CG ASP A 16 56.900 -11.906 -3.927 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.743 -11.221 -4.482 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.055 -12.561 -4.516 1.00 0.00 O ATOM 0 H ASP A 16 59.141 -11.191 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 16 56.608 -9.783 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.696 -12.608 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.961 -12.359 -2.034 1.00 0.00 H new ATOM 246 N TYR A 17 55.256 -10.107 -0.342 1.00 0.00 N ATOM 247 CA TYR A 17 54.601 -9.972 0.993 1.00 0.00 C ATOM 248 C TYR A 17 53.077 -9.920 0.801 1.00 0.00 C ATOM 249 O TYR A 17 52.466 -8.872 0.883 1.00 0.00 O ATOM 250 CB TYR A 17 55.161 -8.654 1.567 1.00 0.00 C ATOM 251 CG TYR A 17 54.346 -8.174 2.757 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.931 -9.076 3.746 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.006 -6.820 2.861 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.177 -8.622 4.835 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.254 -6.367 3.950 1.00 0.00 C ATOM 256 CZ TYR A 17 52.838 -7.267 4.937 1.00 0.00 C ATOM 257 OH TYR A 17 52.094 -6.821 6.010 1.00 0.00 O ATOM 0 H TYR A 17 54.642 -9.939 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 17 54.799 -10.804 1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.198 -8.799 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.160 -7.888 0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.193 -10.121 3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.325 -6.124 2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 17 52.857 -9.317 5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.994 -5.322 4.029 1.00 0.00 H new ATOM 0 HH TYR A 17 51.807 -7.587 6.550 1.00 0.00 H new ATOM 267 N MET A 18 52.470 -11.051 0.543 1.00 0.00 N ATOM 268 CA MET A 18 50.989 -11.087 0.337 1.00 0.00 C ATOM 269 C MET A 18 50.253 -10.771 1.652 1.00 0.00 C ATOM 270 O MET A 18 50.857 -10.786 2.706 1.00 0.00 O ATOM 271 CB MET A 18 50.679 -12.513 -0.121 1.00 0.00 C ATOM 272 CG MET A 18 51.052 -12.669 -1.596 1.00 0.00 C ATOM 273 SD MET A 18 51.318 -14.419 -1.970 1.00 0.00 S ATOM 274 CE MET A 18 53.060 -14.288 -2.444 1.00 0.00 C ATOM 0 H MET A 18 52.938 -11.954 0.466 1.00 0.00 H new ATOM 0 HA MET A 18 50.663 -10.346 -0.393 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.236 -13.229 0.483 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.620 -12.730 0.022 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.259 -12.268 -2.227 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.954 -12.098 -1.816 1.00 0.00 H new ATOM 0 HE1 MET A 18 53.437 -15.273 -2.719 1.00 0.00 H new ATOM 0 HE2 MET A 18 53.156 -13.612 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 18 53.637 -13.900 -1.605 1.00 0.00 H new ATOM 284 N PRO A 19 48.964 -10.485 1.557 1.00 0.00 N ATOM 285 CA PRO A 19 48.173 -10.158 2.767 1.00 0.00 C ATOM 286 C PRO A 19 47.976 -11.401 3.640 1.00 0.00 C ATOM 287 O PRO A 19 48.226 -12.515 3.218 1.00 0.00 O ATOM 288 CB PRO A 19 46.836 -9.687 2.174 1.00 0.00 C ATOM 289 CG PRO A 19 46.923 -9.772 0.638 1.00 0.00 C ATOM 290 CD PRO A 19 48.231 -10.465 0.262 1.00 0.00 C ATOM 0 HA PRO A 19 48.647 -9.418 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.019 -10.308 2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.624 -8.664 2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.073 -10.327 0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.884 -8.774 0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.062 -11.470 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.776 -9.915 -0.505 1.00 0.00 H new ATOM 298 N MET A 20 47.519 -11.214 4.850 1.00 0.00 N ATOM 299 CA MET A 20 47.287 -12.373 5.765 1.00 0.00 C ATOM 300 C MET A 20 45.804 -12.443 6.122 1.00 0.00 C ATOM 301 O MET A 20 45.186 -13.490 6.066 1.00 0.00 O ATOM 302 CB MET A 20 48.124 -12.079 7.013 1.00 0.00 C ATOM 303 CG MET A 20 49.597 -11.933 6.624 1.00 0.00 C ATOM 304 SD MET A 20 50.646 -12.489 7.991 1.00 0.00 S ATOM 305 CE MET A 20 51.287 -13.980 7.194 1.00 0.00 C ATOM 0 H MET A 20 47.295 -10.302 5.248 1.00 0.00 H new ATOM 0 HA MET A 20 47.565 -13.325 5.314 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.772 -11.165 7.492 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.008 -12.884 7.739 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.807 -12.520 5.730 1.00 0.00 H new ATOM 0 HG3 MET A 20 49.818 -10.893 6.382 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.970 -14.491 7.873 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.459 -14.644 6.945 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.819 -13.706 6.283 1.00 0.00 H new ATOM 315 N ASN A 21 45.233 -11.324 6.481 1.00 0.00 N ATOM 316 CA ASN A 21 43.785 -11.291 6.841 1.00 0.00 C ATOM 317 C ASN A 21 43.079 -10.195 6.041 1.00 0.00 C ATOM 318 O ASN A 21 42.100 -10.439 5.361 1.00 0.00 O ATOM 319 CB ASN A 21 43.752 -10.973 8.336 1.00 0.00 C ATOM 320 CG ASN A 21 42.345 -11.224 8.880 1.00 0.00 C ATOM 321 OD1 ASN A 21 41.770 -12.268 8.652 1.00 0.00 O ATOM 322 ND2 ASN A 21 41.763 -10.301 9.598 1.00 0.00 N ATOM 0 H ASN A 21 45.711 -10.425 6.541 1.00 0.00 H new ATOM 0 HA ASN A 21 43.278 -12.230 6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.475 -11.593 8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.039 -9.935 8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 21 40.825 -10.458 9.967 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.246 -9.424 9.790 1.00 0.00 H new ATOM 329 N ALA A 22 43.580 -8.990 6.117 1.00 0.00 N ATOM 330 CA ALA A 22 42.960 -7.856 5.364 1.00 0.00 C ATOM 331 C ALA A 22 43.851 -6.615 5.452 1.00 0.00 C ATOM 332 O ALA A 22 44.028 -5.896 4.487 1.00 0.00 O ATOM 333 CB ALA A 22 41.617 -7.599 6.050 1.00 0.00 C ATOM 0 H ALA A 22 44.398 -8.740 6.672 1.00 0.00 H new ATOM 0 HA ALA A 22 42.835 -8.087 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.104 -6.777 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.002 -8.498 5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.786 -7.339 7.095 1.00 0.00 H new ATOM 339 N ASN A 23 44.410 -6.366 6.605 1.00 0.00 N ATOM 340 CA ASN A 23 45.297 -5.173 6.776 1.00 0.00 C ATOM 341 C ASN A 23 46.488 -5.230 5.835 1.00 0.00 C ATOM 342 O ASN A 23 46.712 -4.340 5.037 1.00 0.00 O ATOM 343 CB ASN A 23 45.814 -5.246 8.206 1.00 0.00 C ATOM 344 CG ASN A 23 44.894 -4.449 9.133 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.414 -3.395 8.770 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.628 -4.914 10.324 1.00 0.00 N ATOM 0 H ASN A 23 44.292 -6.938 7.441 1.00 0.00 H new ATOM 0 HA ASN A 23 44.746 -4.257 6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.862 -6.285 8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.828 -4.849 8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 23 44.016 -4.391 10.951 1.00 0.00 H new ATOM 0 HD22 ASN A 23 45.032 -5.800 10.628 1.00 0.00 H new ATOM 353 N ASP A 24 47.279 -6.258 5.971 1.00 0.00 N ATOM 354 CA ASP A 24 48.510 -6.393 5.138 1.00 0.00 C ATOM 355 C ASP A 24 48.230 -6.130 3.652 1.00 0.00 C ATOM 356 O ASP A 24 47.255 -6.606 3.101 1.00 0.00 O ATOM 357 CB ASP A 24 48.981 -7.833 5.347 1.00 0.00 C ATOM 358 CG ASP A 24 49.356 -8.040 6.816 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.031 -7.181 7.360 1.00 0.00 O ATOM 360 OD2 ASP A 24 48.963 -9.053 7.370 1.00 0.00 O ATOM 0 H ASP A 24 47.124 -7.020 6.631 1.00 0.00 H new ATOM 0 HA ASP A 24 49.263 -5.661 5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.193 -8.530 5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.839 -8.042 4.709 1.00 0.00 H new ATOM 365 N LEU A 25 49.082 -5.374 3.006 1.00 0.00 N ATOM 366 CA LEU A 25 48.879 -5.073 1.560 1.00 0.00 C ATOM 367 C LEU A 25 49.586 -6.131 0.708 1.00 0.00 C ATOM 368 O LEU A 25 50.637 -6.625 1.069 1.00 0.00 O ATOM 369 CB LEU A 25 49.502 -3.687 1.346 1.00 0.00 C ATOM 370 CG LEU A 25 49.282 -3.244 -0.106 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.807 -2.896 -0.319 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.133 -2.006 -0.405 1.00 0.00 C ATOM 0 H LEU A 25 49.912 -4.952 3.422 1.00 0.00 H new ATOM 0 HA LEU A 25 47.828 -5.084 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.053 -2.966 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.568 -3.718 1.570 1.00 0.00 H new ATOM 0 HG LEU A 25 49.570 -4.057 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.653 -2.581 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.193 -3.772 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.523 -2.086 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.973 -1.695 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.846 -1.196 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.186 -2.244 -0.257 1.00 0.00 H new ATOM 384 N GLN A 26 49.010 -6.488 -0.412 1.00 0.00 N ATOM 385 CA GLN A 26 49.642 -7.524 -1.286 1.00 0.00 C ATOM 386 C GLN A 26 50.809 -6.923 -2.067 1.00 0.00 C ATOM 387 O GLN A 26 50.660 -6.503 -3.200 1.00 0.00 O ATOM 388 CB GLN A 26 48.533 -7.976 -2.237 1.00 0.00 C ATOM 389 CG GLN A 26 49.032 -9.151 -3.081 1.00 0.00 C ATOM 390 CD GLN A 26 47.943 -9.569 -4.071 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.770 -9.526 -3.754 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.282 -9.973 -5.264 1.00 0.00 N ATOM 0 H GLN A 26 48.130 -6.107 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 26 50.046 -8.356 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.650 -8.271 -1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.235 -7.151 -2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.937 -8.868 -3.618 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.293 -9.990 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.266 -10.009 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 26 47.563 -10.253 -5.931 1.00 0.00 H new ATOM 401 N LEU A 27 51.970 -6.888 -1.468 1.00 0.00 N ATOM 402 CA LEU A 27 53.160 -6.323 -2.163 1.00 0.00 C ATOM 403 C LEU A 27 53.798 -7.389 -3.064 1.00 0.00 C ATOM 404 O LEU A 27 53.206 -8.416 -3.337 1.00 0.00 O ATOM 405 CB LEU A 27 54.107 -5.907 -1.034 1.00 0.00 C ATOM 406 CG LEU A 27 53.663 -4.556 -0.482 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.608 -4.777 0.604 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.870 -3.824 0.112 1.00 0.00 C ATOM 0 H LEU A 27 52.144 -7.229 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 27 52.913 -5.481 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.101 -6.657 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.130 -5.844 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 27 53.238 -3.954 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.288 -3.814 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.750 -5.297 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.034 -5.378 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.552 -2.859 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.298 -4.422 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.620 -3.670 -0.664 1.00 0.00 H new ATOM 420 N ARG A 28 54.992 -7.143 -3.533 1.00 0.00 N ATOM 421 CA ARG A 28 55.678 -8.119 -4.427 1.00 0.00 C ATOM 422 C ARG A 28 57.137 -7.701 -4.619 1.00 0.00 C ATOM 423 O ARG A 28 57.685 -6.958 -3.826 1.00 0.00 O ATOM 424 CB ARG A 28 54.922 -8.044 -5.755 1.00 0.00 C ATOM 425 CG ARG A 28 54.833 -9.441 -6.374 1.00 0.00 C ATOM 426 CD ARG A 28 53.626 -10.182 -5.793 1.00 0.00 C ATOM 427 NE ARG A 28 53.124 -11.032 -6.908 1.00 0.00 N ATOM 428 CZ ARG A 28 51.880 -11.424 -6.921 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.509 -12.443 -6.196 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.006 -10.795 -7.658 1.00 0.00 N ATOM 0 H ARG A 28 55.527 -6.298 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 28 55.679 -9.130 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.922 -7.642 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.432 -7.364 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.739 -9.365 -7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 28 55.747 -9.999 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.911 -10.787 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.861 -9.484 -5.453 1.00 0.00 H new ATOM 0 HE ARG A 28 53.753 -11.308 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.192 -12.934 -5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.536 -12.749 -6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 28 51.296 -9.997 -8.224 1.00 0.00 H new ATOM 0 HH22 ARG A 28 50.033 -11.101 -7.669 1.00 0.00 H new ATOM 444 N LYS A 29 57.764 -8.168 -5.665 1.00 0.00 N ATOM 445 CA LYS A 29 59.181 -7.799 -5.918 1.00 0.00 C ATOM 446 C LYS A 29 59.294 -7.008 -7.225 1.00 0.00 C ATOM 447 O LYS A 29 58.965 -7.496 -8.290 1.00 0.00 O ATOM 448 CB LYS A 29 59.932 -9.135 -5.994 1.00 0.00 C ATOM 449 CG LYS A 29 61.406 -8.893 -6.343 1.00 0.00 C ATOM 450 CD LYS A 29 62.290 -9.851 -5.541 1.00 0.00 C ATOM 451 CE LYS A 29 62.283 -11.230 -6.206 1.00 0.00 C ATOM 452 NZ LYS A 29 63.650 -11.773 -5.978 1.00 0.00 N ATOM 0 H LYS A 29 57.351 -8.793 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 29 59.596 -7.159 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.857 -9.658 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.473 -9.777 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.566 -9.043 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.677 -7.861 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.308 -9.466 -5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.926 -9.928 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.523 -11.876 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 29 62.061 -11.154 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.724 -12.718 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.352 -11.140 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.831 -11.840 -4.956 1.00 0.00 H new ATOM 466 N GLY A 30 59.750 -5.784 -7.139 1.00 0.00 N ATOM 467 CA GLY A 30 59.881 -4.937 -8.360 1.00 0.00 C ATOM 468 C GLY A 30 58.632 -4.065 -8.519 1.00 0.00 C ATOM 469 O GLY A 30 58.666 -3.046 -9.183 1.00 0.00 O ATOM 0 H GLY A 30 60.038 -5.334 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.768 -4.308 -8.285 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.011 -5.567 -9.240 1.00 0.00 H new ATOM 473 N ASP A 31 57.533 -4.449 -7.913 1.00 0.00 N ATOM 474 CA ASP A 31 56.291 -3.634 -8.028 1.00 0.00 C ATOM 475 C ASP A 31 56.385 -2.427 -7.096 1.00 0.00 C ATOM 476 O ASP A 31 57.109 -2.451 -6.126 1.00 0.00 O ATOM 477 CB ASP A 31 55.155 -4.563 -7.595 1.00 0.00 C ATOM 478 CG ASP A 31 54.631 -5.331 -8.810 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.194 -6.368 -9.117 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.675 -4.869 -9.411 1.00 0.00 O ATOM 0 H ASP A 31 57.447 -5.292 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 31 56.132 -3.255 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.511 -5.260 -6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.350 -3.984 -7.143 1.00 0.00 H new ATOM 485 N GLU A 32 55.667 -1.372 -7.380 1.00 0.00 N ATOM 486 CA GLU A 32 55.730 -0.163 -6.496 1.00 0.00 C ATOM 487 C GLU A 32 54.328 0.158 -5.978 1.00 0.00 C ATOM 488 O GLU A 32 53.356 -0.436 -6.412 1.00 0.00 O ATOM 489 CB GLU A 32 56.276 0.971 -7.372 1.00 0.00 C ATOM 490 CG GLU A 32 57.547 0.522 -8.099 1.00 0.00 C ATOM 491 CD GLU A 32 57.181 -0.025 -9.479 1.00 0.00 C ATOM 492 OE1 GLU A 32 57.071 0.769 -10.398 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.015 -1.228 -9.593 1.00 0.00 O ATOM 0 H GLU A 32 55.041 -1.292 -8.182 1.00 0.00 H new ATOM 0 HA GLU A 32 56.368 -0.314 -5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.522 1.273 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.492 1.843 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.236 1.361 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.060 -0.244 -7.517 1.00 0.00 H new ATOM 500 N TYR A 33 54.209 1.054 -5.026 1.00 0.00 N ATOM 501 CA TYR A 33 52.861 1.357 -4.461 1.00 0.00 C ATOM 502 C TYR A 33 52.650 2.857 -4.270 1.00 0.00 C ATOM 503 O TYR A 33 53.429 3.677 -4.711 1.00 0.00 O ATOM 504 CB TYR A 33 52.845 0.681 -3.087 1.00 0.00 C ATOM 505 CG TYR A 33 53.378 -0.730 -3.183 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.756 -1.653 -4.026 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.505 -1.098 -2.443 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.261 -2.951 -4.130 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.015 -2.393 -2.550 1.00 0.00 C ATOM 510 CZ TYR A 33 54.391 -3.319 -3.393 1.00 0.00 C ATOM 511 OH TYR A 33 54.897 -4.592 -3.508 1.00 0.00 O ATOM 0 H TYR A 33 54.981 1.583 -4.621 1.00 0.00 H new ATOM 0 HA TYR A 33 52.076 1.005 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.449 1.257 -2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.828 0.666 -2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.886 -1.364 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.981 -0.382 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.780 -3.669 -4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.889 -2.679 -1.984 1.00 0.00 H new ATOM 0 HH TYR A 33 54.900 -4.859 -4.451 1.00 0.00 H new ATOM 521 N PHE A 34 51.592 3.198 -3.584 1.00 0.00 N ATOM 522 CA PHE A 34 51.284 4.630 -3.307 1.00 0.00 C ATOM 523 C PHE A 34 51.285 4.863 -1.798 1.00 0.00 C ATOM 524 O PHE A 34 50.623 4.162 -1.058 1.00 0.00 O ATOM 525 CB PHE A 34 49.886 4.854 -3.880 1.00 0.00 C ATOM 526 CG PHE A 34 49.994 5.307 -5.316 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.426 6.605 -5.611 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.661 4.427 -6.353 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.526 7.025 -6.943 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.760 4.847 -7.686 1.00 0.00 C ATOM 531 CZ PHE A 34 50.193 6.145 -7.980 1.00 0.00 C ATOM 0 H PHE A 34 50.919 2.535 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 34 52.013 5.311 -3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.306 3.933 -3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.356 5.602 -3.291 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.682 7.283 -4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.328 3.425 -6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.860 8.027 -7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.502 4.169 -8.486 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.270 6.468 -9.008 1.00 0.00 H new ATOM 541 N ILE A 35 52.034 5.829 -1.337 1.00 0.00 N ATOM 542 CA ILE A 35 52.095 6.091 0.133 1.00 0.00 C ATOM 543 C ILE A 35 51.058 7.129 0.559 1.00 0.00 C ATOM 544 O ILE A 35 51.047 8.251 0.086 1.00 0.00 O ATOM 545 CB ILE A 35 53.518 6.600 0.391 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.548 5.557 -0.075 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.710 6.871 1.887 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.318 4.221 0.643 1.00 0.00 C ATOM 0 H ILE A 35 52.606 6.448 -1.912 1.00 0.00 H new ATOM 0 HA ILE A 35 51.871 5.193 0.709 1.00 0.00 H new ATOM 0 HB ILE A 35 53.666 7.524 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.470 5.416 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.557 5.917 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.723 7.232 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.993 7.624 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.550 5.950 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.055 3.493 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.420 4.364 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.316 3.855 0.419 1.00 0.00 H new ATOM 560 N LEU A 36 50.201 6.754 1.468 1.00 0.00 N ATOM 561 CA LEU A 36 49.160 7.693 1.971 1.00 0.00 C ATOM 562 C LEU A 36 49.457 8.057 3.430 1.00 0.00 C ATOM 563 O LEU A 36 49.090 9.117 3.901 1.00 0.00 O ATOM 564 CB LEU A 36 47.845 6.920 1.866 1.00 0.00 C ATOM 565 CG LEU A 36 47.504 6.684 0.392 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.976 5.290 -0.027 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.989 6.786 0.197 1.00 0.00 C ATOM 0 H LEU A 36 50.178 5.825 1.889 1.00 0.00 H new ATOM 0 HA LEU A 36 49.126 8.624 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.929 5.966 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.044 7.478 2.350 1.00 0.00 H new ATOM 0 HG LEU A 36 48.003 7.436 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.733 5.124 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.054 5.214 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.478 4.538 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.745 6.618 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.492 6.034 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.650 7.778 0.494 1.00 0.00 H new ATOM 579 N GLU A 37 50.122 7.182 4.145 1.00 0.00 N ATOM 580 CA GLU A 37 50.453 7.463 5.572 1.00 0.00 C ATOM 581 C GLU A 37 51.941 7.801 5.711 1.00 0.00 C ATOM 582 O GLU A 37 52.676 7.816 4.744 1.00 0.00 O ATOM 583 CB GLU A 37 50.122 6.171 6.319 1.00 0.00 C ATOM 584 CG GLU A 37 49.819 6.490 7.786 1.00 0.00 C ATOM 585 CD GLU A 37 48.726 5.550 8.300 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.564 5.856 8.090 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.071 4.542 8.893 1.00 0.00 O ATOM 0 H GLU A 37 50.450 6.281 3.797 1.00 0.00 H new ATOM 0 HA GLU A 37 49.896 8.313 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.264 5.682 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.959 5.476 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.721 6.378 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.497 7.527 7.884 1.00 0.00 H new ATOM 594 N GLU A 38 52.383 8.070 6.915 1.00 0.00 N ATOM 595 CA GLU A 38 53.817 8.412 7.156 1.00 0.00 C ATOM 596 C GLU A 38 54.021 8.623 8.655 1.00 0.00 C ATOM 597 O GLU A 38 54.233 9.730 9.116 1.00 0.00 O ATOM 598 CB GLU A 38 54.082 9.718 6.385 1.00 0.00 C ATOM 599 CG GLU A 38 53.101 10.811 6.843 1.00 0.00 C ATOM 600 CD GLU A 38 53.867 11.942 7.536 1.00 0.00 C ATOM 601 OE1 GLU A 38 54.802 12.451 6.940 1.00 0.00 O ATOM 602 OE2 GLU A 38 53.505 12.279 8.651 1.00 0.00 O ATOM 0 H GLU A 38 51.801 8.067 7.753 1.00 0.00 H new ATOM 0 HA GLU A 38 54.496 7.626 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.108 10.046 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 38 53.973 9.546 5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 38 52.553 11.203 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 38 52.364 10.388 7.526 1.00 0.00 H new ATOM 609 N SER A 39 53.940 7.566 9.416 1.00 0.00 N ATOM 610 CA SER A 39 54.107 7.681 10.893 1.00 0.00 C ATOM 611 C SER A 39 55.572 7.471 11.295 1.00 0.00 C ATOM 612 O SER A 39 55.865 7.038 12.392 1.00 0.00 O ATOM 613 CB SER A 39 53.227 6.569 11.459 1.00 0.00 C ATOM 614 OG SER A 39 51.943 7.096 11.766 1.00 0.00 O ATOM 0 H SER A 39 53.764 6.621 9.075 1.00 0.00 H new ATOM 0 HA SER A 39 53.828 8.666 11.267 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.137 5.758 10.737 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.684 6.148 12.355 1.00 0.00 H new ATOM 0 HG SER A 39 51.375 6.384 12.128 1.00 0.00 H new ATOM 620 N ASN A 40 56.498 7.779 10.414 1.00 0.00 N ATOM 621 CA ASN A 40 57.951 7.606 10.732 1.00 0.00 C ATOM 622 C ASN A 40 58.232 6.193 11.253 1.00 0.00 C ATOM 623 O ASN A 40 59.146 5.983 12.028 1.00 0.00 O ATOM 624 CB ASN A 40 58.255 8.646 11.814 1.00 0.00 C ATOM 625 CG ASN A 40 59.753 8.959 11.816 1.00 0.00 C ATOM 626 OD1 ASN A 40 60.147 10.199 11.923 1.00 0.00 O flip ATOM 627 ND2 ASN A 40 60.571 8.067 11.720 1.00 0.00 N flip ATOM 0 H ASN A 40 56.306 8.145 9.482 1.00 0.00 H new ATOM 0 HA ASN A 40 58.574 7.741 9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 40 57.683 9.555 11.630 1.00 0.00 H new ATOM 0 HB3 ASN A 40 57.950 8.270 12.791 1.00 0.00 H new ATOM 0 HD21 ASN A 40 60.262 7.099 11.636 1.00 0.00 H new ATOM 0 HD22 ASN A 40 61.567 8.286 11.723 1.00 0.00 H new ATOM 634 N LEU A 41 57.454 5.224 10.832 1.00 0.00 N ATOM 635 CA LEU A 41 57.688 3.827 11.308 1.00 0.00 C ATOM 636 C LEU A 41 57.923 2.877 10.110 1.00 0.00 C ATOM 637 O LEU A 41 57.815 3.297 8.974 1.00 0.00 O ATOM 638 CB LEU A 41 56.434 3.455 12.142 1.00 0.00 C ATOM 639 CG LEU A 41 55.302 2.870 11.275 1.00 0.00 C ATOM 640 CD1 LEU A 41 54.171 2.379 12.180 1.00 0.00 C ATOM 641 CD2 LEU A 41 54.765 3.945 10.334 1.00 0.00 C ATOM 0 H LEU A 41 56.674 5.340 10.185 1.00 0.00 H new ATOM 0 HA LEU A 41 58.585 3.738 11.921 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.712 2.731 12.908 1.00 0.00 H new ATOM 0 HB3 LEU A 41 56.069 4.342 12.660 1.00 0.00 H new ATOM 0 HG LEU A 41 55.691 2.038 10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 41 53.369 1.965 11.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.550 1.608 12.851 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.786 3.213 12.766 1.00 0.00 H new ATOM 0 HD21 LEU A 41 53.965 3.527 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 41 54.377 4.779 10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 41 55.569 4.297 9.688 1.00 0.00 H new ATOM 653 N PRO A 42 58.246 1.624 10.390 1.00 0.00 N ATOM 654 CA PRO A 42 58.497 0.652 9.301 1.00 0.00 C ATOM 655 C PRO A 42 57.204 0.344 8.536 1.00 0.00 C ATOM 656 O PRO A 42 57.140 0.485 7.331 1.00 0.00 O ATOM 657 CB PRO A 42 58.991 -0.586 10.060 1.00 0.00 C ATOM 658 CG PRO A 42 58.996 -0.273 11.568 1.00 0.00 C ATOM 659 CD PRO A 42 58.385 1.112 11.782 1.00 0.00 C ATOM 0 HA PRO A 42 59.203 1.012 8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.344 -1.439 9.853 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.993 -0.858 9.727 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.426 -1.026 12.112 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.014 -0.301 11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.423 1.056 12.291 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.029 1.750 12.386 1.00 0.00 H new ATOM 667 N TRP A 43 56.182 -0.089 9.228 1.00 0.00 N ATOM 668 CA TRP A 43 54.897 -0.431 8.543 1.00 0.00 C ATOM 669 C TRP A 43 54.096 0.838 8.227 1.00 0.00 C ATOM 670 O TRP A 43 53.874 1.678 9.078 1.00 0.00 O ATOM 671 CB TRP A 43 54.134 -1.308 9.539 1.00 0.00 C ATOM 672 CG TRP A 43 54.931 -2.527 9.866 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.779 -2.611 10.901 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.969 -3.823 9.195 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.344 -3.872 10.925 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.875 -4.658 9.892 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.316 -4.353 8.067 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.124 -5.969 9.486 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.564 -5.672 7.656 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.466 -6.479 8.364 1.00 0.00 C ATOM 0 H TRP A 43 56.181 -0.221 10.239 1.00 0.00 H new ATOM 0 HA TRP A 43 55.067 -0.939 7.594 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.928 -0.744 10.449 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.171 -1.596 9.118 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.988 -1.819 11.605 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.023 -4.183 11.620 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.619 -3.741 7.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.820 -6.585 10.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.057 -6.068 6.789 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.652 -7.493 8.043 1.00 0.00 H new ATOM 691 N TRP A 44 53.664 0.971 7.002 1.00 0.00 N ATOM 692 CA TRP A 44 52.872 2.170 6.587 1.00 0.00 C ATOM 693 C TRP A 44 51.447 1.764 6.210 1.00 0.00 C ATOM 694 O TRP A 44 51.024 0.647 6.424 1.00 0.00 O ATOM 695 CB TRP A 44 53.570 2.679 5.321 1.00 0.00 C ATOM 696 CG TRP A 44 54.610 3.720 5.603 1.00 0.00 C ATOM 697 CD1 TRP A 44 54.842 4.361 6.779 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.547 4.271 4.647 1.00 0.00 C ATOM 699 NE1 TRP A 44 55.887 5.254 6.594 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.351 5.233 5.291 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.770 4.012 3.287 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.353 5.922 4.601 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.766 4.699 2.587 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.560 5.654 3.242 1.00 0.00 C ATOM 0 H TRP A 44 53.828 0.291 6.259 1.00 0.00 H new ATOM 0 HA TRP A 44 52.819 2.909 7.386 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.036 1.838 4.807 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.824 3.093 4.643 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.304 4.202 7.702 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.266 5.852 7.328 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.167 3.276 2.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 57.962 6.654 5.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.925 4.494 1.539 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.330 6.181 2.698 1.00 0.00 H new ATOM 715 N ARG A 45 50.732 2.669 5.599 1.00 0.00 N ATOM 716 CA ARG A 45 49.354 2.374 5.127 1.00 0.00 C ATOM 717 C ARG A 45 49.268 2.858 3.673 1.00 0.00 C ATOM 718 O ARG A 45 48.614 3.836 3.365 1.00 0.00 O ATOM 719 CB ARG A 45 48.423 3.179 6.036 1.00 0.00 C ATOM 720 CG ARG A 45 47.175 2.349 6.349 1.00 0.00 C ATOM 721 CD ARG A 45 46.495 2.903 7.602 1.00 0.00 C ATOM 722 NE ARG A 45 45.118 2.336 7.574 1.00 0.00 N ATOM 723 CZ ARG A 45 44.909 1.108 7.967 1.00 0.00 C ATOM 724 NH1 ARG A 45 45.182 0.112 7.168 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.430 0.877 9.158 1.00 0.00 N ATOM 0 H ARG A 45 51.053 3.617 5.405 1.00 0.00 H new ATOM 0 HA ARG A 45 49.087 1.318 5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.938 3.444 6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.140 4.113 5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.485 2.377 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.449 1.305 6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 45 47.027 2.604 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.474 3.993 7.591 1.00 0.00 H new ATOM 0 HE ARG A 45 44.338 2.907 7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 45 45.558 0.293 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 45 45.019 -0.847 7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.219 1.655 9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.267 -0.082 9.465 1.00 0.00 H new ATOM 739 N ALA A 46 49.967 2.190 2.792 1.00 0.00 N ATOM 740 CA ALA A 46 49.993 2.601 1.357 1.00 0.00 C ATOM 741 C ALA A 46 49.115 1.666 0.523 1.00 0.00 C ATOM 742 O ALA A 46 48.682 0.631 0.993 1.00 0.00 O ATOM 743 CB ALA A 46 51.472 2.477 0.947 1.00 0.00 C ATOM 0 H ALA A 46 50.528 1.366 3.009 1.00 0.00 H new ATOM 0 HA ALA A 46 49.608 3.609 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.585 2.761 -0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.078 3.135 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.801 1.447 1.080 1.00 0.00 H new ATOM 749 N ARG A 47 48.846 2.024 -0.709 1.00 0.00 N ATOM 750 CA ARG A 47 47.992 1.151 -1.567 1.00 0.00 C ATOM 751 C ARG A 47 48.777 0.614 -2.755 1.00 0.00 C ATOM 752 O ARG A 47 49.741 1.207 -3.198 1.00 0.00 O ATOM 753 CB ARG A 47 46.864 2.039 -2.077 1.00 0.00 C ATOM 754 CG ARG A 47 45.947 2.437 -0.923 1.00 0.00 C ATOM 755 CD ARG A 47 45.461 3.875 -1.120 1.00 0.00 C ATOM 756 NE ARG A 47 44.099 3.743 -1.707 1.00 0.00 N ATOM 757 CZ ARG A 47 43.791 4.395 -2.795 1.00 0.00 C ATOM 758 NH1 ARG A 47 44.370 4.091 -3.925 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.905 5.352 -2.755 1.00 0.00 N ATOM 0 H ARG A 47 49.180 2.879 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 47 47.627 0.295 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.277 2.931 -2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.292 1.512 -2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.095 1.759 -0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.480 2.350 0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.433 4.415 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 47 46.125 4.429 -1.784 1.00 0.00 H new ATOM 0 HE ARG A 47 43.407 3.143 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 47 45.063 3.344 -3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 47 44.129 4.601 -4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.452 5.591 -1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 47 42.665 5.861 -3.606 1.00 0.00 H new ATOM 773 N ASP A 48 48.345 -0.495 -3.285 1.00 0.00 N ATOM 774 CA ASP A 48 49.030 -1.085 -4.466 1.00 0.00 C ATOM 775 C ASP A 48 48.147 -0.876 -5.713 1.00 0.00 C ATOM 776 O ASP A 48 47.635 0.209 -5.920 1.00 0.00 O ATOM 777 CB ASP A 48 49.214 -2.569 -4.109 1.00 0.00 C ATOM 778 CG ASP A 48 47.864 -3.230 -3.793 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.839 -2.633 -4.084 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.880 -4.329 -3.264 1.00 0.00 O ATOM 0 H ASP A 48 47.540 -1.022 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 48 49.993 -0.629 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.693 -3.090 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.878 -2.660 -3.249 1.00 0.00 H new ATOM 785 N LYS A 49 47.953 -1.880 -6.544 1.00 0.00 N ATOM 786 CA LYS A 49 47.098 -1.689 -7.755 1.00 0.00 C ATOM 787 C LYS A 49 46.045 -2.798 -7.861 1.00 0.00 C ATOM 788 O LYS A 49 45.542 -3.075 -8.932 1.00 0.00 O ATOM 789 CB LYS A 49 48.066 -1.755 -8.937 1.00 0.00 C ATOM 790 CG LYS A 49 48.513 -0.341 -9.313 1.00 0.00 C ATOM 791 CD LYS A 49 47.485 0.286 -10.257 1.00 0.00 C ATOM 792 CE LYS A 49 47.966 1.674 -10.687 1.00 0.00 C ATOM 793 NZ LYS A 49 47.588 1.784 -12.123 1.00 0.00 N ATOM 0 H LYS A 49 48.348 -2.814 -6.433 1.00 0.00 H new ATOM 0 HA LYS A 49 46.552 -0.746 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.932 -2.364 -8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.583 -2.234 -9.789 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.618 0.269 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 49 49.491 -0.373 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 49 47.344 -0.349 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 49 46.518 0.362 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.494 2.457 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.043 1.778 -10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.885 2.710 -12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 48.057 1.030 -12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.557 1.688 -12.219 1.00 0.00 H new ATOM 807 N ASN A 50 45.704 -3.422 -6.760 1.00 0.00 N ATOM 808 CA ASN A 50 44.680 -4.511 -6.790 1.00 0.00 C ATOM 809 C ASN A 50 44.166 -4.821 -5.379 1.00 0.00 C ATOM 810 O ASN A 50 42.996 -5.084 -5.181 1.00 0.00 O ATOM 811 CB ASN A 50 45.403 -5.733 -7.363 1.00 0.00 C ATOM 812 CG ASN A 50 45.245 -5.769 -8.885 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.173 -5.525 -9.402 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.276 -6.064 -9.629 1.00 0.00 N ATOM 0 H ASN A 50 46.093 -3.223 -5.838 1.00 0.00 H new ATOM 0 HA ASN A 50 43.814 -4.224 -7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 50 46.460 -5.697 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 50 44.996 -6.645 -6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.182 -6.090 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 50 47.176 -6.269 -9.195 1.00 0.00 H new ATOM 821 N GLY A 51 45.040 -4.809 -4.407 1.00 0.00 N ATOM 822 CA GLY A 51 44.622 -5.123 -3.008 1.00 0.00 C ATOM 823 C GLY A 51 44.312 -3.837 -2.239 1.00 0.00 C ATOM 824 O GLY A 51 44.388 -3.803 -1.026 1.00 0.00 O ATOM 0 H GLY A 51 46.030 -4.594 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.742 -5.767 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 51 45.414 -5.675 -2.501 1.00 0.00 H new ATOM 828 N GLN A 52 43.938 -2.784 -2.930 1.00 0.00 N ATOM 829 CA GLN A 52 43.591 -1.500 -2.251 1.00 0.00 C ATOM 830 C GLN A 52 44.667 -1.096 -1.226 1.00 0.00 C ATOM 831 O GLN A 52 45.834 -1.387 -1.402 1.00 0.00 O ATOM 832 CB GLN A 52 42.244 -1.781 -1.581 1.00 0.00 C ATOM 833 CG GLN A 52 41.236 -2.333 -2.600 1.00 0.00 C ATOM 834 CD GLN A 52 39.892 -2.574 -1.910 1.00 0.00 C ATOM 835 OE1 GLN A 52 38.963 -1.810 -2.081 1.00 0.00 O ATOM 836 NE2 GLN A 52 39.749 -3.611 -1.133 1.00 0.00 N ATOM 0 H GLN A 52 43.859 -2.763 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 52 43.536 -0.663 -2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 52 42.378 -2.497 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 52 41.855 -0.865 -1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.113 -1.629 -3.423 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.609 -3.263 -3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.529 -4.252 -0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 52 38.857 -3.781 -0.668 1.00 0.00 H new ATOM 845 N GLU A 53 44.283 -0.417 -0.174 1.00 0.00 N ATOM 846 CA GLU A 53 45.276 0.017 0.860 1.00 0.00 C ATOM 847 C GLU A 53 45.609 -1.134 1.814 1.00 0.00 C ATOM 848 O GLU A 53 44.836 -2.060 1.976 1.00 0.00 O ATOM 849 CB GLU A 53 44.591 1.163 1.618 1.00 0.00 C ATOM 850 CG GLU A 53 43.292 0.665 2.276 1.00 0.00 C ATOM 851 CD GLU A 53 43.483 0.569 3.792 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.483 1.606 4.436 1.00 0.00 O ATOM 853 OE2 GLU A 53 43.625 -0.539 4.283 1.00 0.00 O ATOM 0 H GLU A 53 43.319 -0.142 0.015 1.00 0.00 H new ATOM 0 HA GLU A 53 46.218 0.329 0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.264 1.559 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.369 1.981 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.473 1.346 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.019 -0.310 1.872 1.00 0.00 H new ATOM 860 N GLY A 54 46.754 -1.075 2.449 1.00 0.00 N ATOM 861 CA GLY A 54 47.145 -2.155 3.401 1.00 0.00 C ATOM 862 C GLY A 54 48.447 -1.750 4.084 1.00 0.00 C ATOM 863 O GLY A 54 48.773 -0.581 4.140 1.00 0.00 O ATOM 0 H GLY A 54 47.435 -0.322 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.361 -2.309 4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.273 -3.099 2.871 1.00 0.00 H new ATOM 867 N TYR A 55 49.195 -2.692 4.603 1.00 0.00 N ATOM 868 CA TYR A 55 50.471 -2.322 5.282 1.00 0.00 C ATOM 869 C TYR A 55 51.676 -2.548 4.362 1.00 0.00 C ATOM 870 O TYR A 55 51.719 -3.482 3.584 1.00 0.00 O ATOM 871 CB TYR A 55 50.557 -3.212 6.521 1.00 0.00 C ATOM 872 CG TYR A 55 49.647 -2.669 7.597 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.260 -2.669 7.406 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.190 -2.166 8.785 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.417 -2.165 8.403 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.346 -1.662 9.782 1.00 0.00 C ATOM 877 CZ TYR A 55 47.959 -1.662 9.592 1.00 0.00 C ATOM 878 OH TYR A 55 47.127 -1.166 10.575 1.00 0.00 O ATOM 0 H TYR A 55 48.980 -3.689 4.586 1.00 0.00 H new ATOM 0 HA TYR A 55 50.485 -1.265 5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.270 -4.233 6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.584 -3.250 6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.841 -3.058 6.490 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.260 -2.167 8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.347 -2.164 8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.765 -1.273 10.698 1.00 0.00 H new ATOM 0 HH TYR A 55 47.665 -0.858 11.334 1.00 0.00 H new ATOM 888 N ILE A 56 52.648 -1.676 4.448 1.00 0.00 N ATOM 889 CA ILE A 56 53.866 -1.787 3.589 1.00 0.00 C ATOM 890 C ILE A 56 55.133 -1.586 4.461 1.00 0.00 C ATOM 891 O ILE A 56 55.463 -0.460 4.778 1.00 0.00 O ATOM 892 CB ILE A 56 53.702 -0.635 2.574 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.663 -1.029 1.526 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.021 -0.327 1.862 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.263 -0.729 2.053 1.00 0.00 C ATOM 0 H ILE A 56 52.649 -0.880 5.086 1.00 0.00 H new ATOM 0 HA ILE A 56 53.972 -2.755 3.100 1.00 0.00 H new ATOM 0 HB ILE A 56 53.384 0.253 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.839 -0.480 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.754 -2.089 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.871 0.488 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.772 -0.036 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.361 -1.214 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.524 -1.011 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.089 -1.298 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.175 0.336 2.266 1.00 0.00 H new ATOM 907 N PRO A 57 55.820 -2.662 4.824 1.00 0.00 N ATOM 908 CA PRO A 57 57.047 -2.517 5.650 1.00 0.00 C ATOM 909 C PRO A 57 58.084 -1.656 4.912 1.00 0.00 C ATOM 910 O PRO A 57 58.369 -1.875 3.751 1.00 0.00 O ATOM 911 CB PRO A 57 57.530 -3.964 5.800 1.00 0.00 C ATOM 912 CG PRO A 57 56.554 -4.893 5.055 1.00 0.00 C ATOM 913 CD PRO A 57 55.428 -4.048 4.448 1.00 0.00 C ATOM 0 HA PRO A 57 56.879 -2.025 6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.536 -4.070 5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.581 -4.237 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.078 -5.440 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.142 -5.634 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.366 -4.172 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.454 -4.318 4.856 1.00 0.00 H new ATOM 921 N SER A 58 58.636 -0.675 5.580 1.00 0.00 N ATOM 922 CA SER A 58 59.645 0.218 4.927 1.00 0.00 C ATOM 923 C SER A 58 60.832 -0.595 4.406 1.00 0.00 C ATOM 924 O SER A 58 61.330 -0.355 3.324 1.00 0.00 O ATOM 925 CB SER A 58 60.101 1.182 6.024 1.00 0.00 C ATOM 926 OG SER A 58 60.832 0.461 7.007 1.00 0.00 O ATOM 0 H SER A 58 58.431 -0.452 6.554 1.00 0.00 H new ATOM 0 HA SER A 58 59.223 0.743 4.070 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.722 1.970 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.238 1.668 6.479 1.00 0.00 H new ATOM 0 HG SER A 58 61.261 1.091 7.623 1.00 0.00 H new ATOM 932 N ASN A 59 61.287 -1.553 5.171 1.00 0.00 N ATOM 933 CA ASN A 59 62.445 -2.389 4.727 1.00 0.00 C ATOM 934 C ASN A 59 62.100 -3.113 3.423 1.00 0.00 C ATOM 935 O ASN A 59 62.918 -3.255 2.535 1.00 0.00 O ATOM 936 CB ASN A 59 62.679 -3.383 5.877 1.00 0.00 C ATOM 937 CG ASN A 59 61.537 -4.406 5.969 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.497 -4.140 6.712 1.00 0.00 O flip ATOM 939 ND2 ASN A 59 61.595 -5.456 5.359 1.00 0.00 N flip ATOM 0 H ASN A 59 60.907 -1.794 6.086 1.00 0.00 H new ATOM 0 HA ASN A 59 63.338 -1.798 4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.625 -3.903 5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.761 -2.841 6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 59 62.407 -5.664 4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.831 -6.129 5.428 1.00 0.00 H new ATOM 946 N TYR A 60 60.888 -3.573 3.327 1.00 0.00 N ATOM 947 CA TYR A 60 60.445 -4.308 2.102 1.00 0.00 C ATOM 948 C TYR A 60 60.363 -3.366 0.894 1.00 0.00 C ATOM 949 O TYR A 60 60.745 -3.728 -0.204 1.00 0.00 O ATOM 950 CB TYR A 60 59.055 -4.854 2.443 1.00 0.00 C ATOM 951 CG TYR A 60 59.167 -6.294 2.887 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.087 -7.326 1.943 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.351 -6.597 4.241 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.191 -8.660 2.354 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.454 -7.931 4.652 1.00 0.00 C ATOM 956 CZ TYR A 60 59.375 -8.963 3.709 1.00 0.00 C ATOM 957 OH TYR A 60 59.476 -10.278 4.114 1.00 0.00 O ATOM 0 H TYR A 60 60.174 -3.473 4.049 1.00 0.00 H new ATOM 0 HA TYR A 60 61.146 -5.098 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.602 -4.254 3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.402 -4.781 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.945 -7.092 0.898 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.414 -5.801 4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.129 -9.456 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.594 -8.164 5.697 1.00 0.00 H new ATOM 0 HH TYR A 60 59.602 -10.312 5.085 1.00 0.00 H new ATOM 967 N VAL A 61 59.860 -2.170 1.079 1.00 0.00 N ATOM 968 CA VAL A 61 59.745 -1.219 -0.076 1.00 0.00 C ATOM 969 C VAL A 61 60.867 -0.178 -0.055 1.00 0.00 C ATOM 970 O VAL A 61 61.644 -0.098 0.875 1.00 0.00 O ATOM 971 CB VAL A 61 58.384 -0.531 0.076 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.270 -1.573 -0.038 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.298 0.167 1.441 1.00 0.00 C ATOM 0 H VAL A 61 59.525 -1.811 1.973 1.00 0.00 H new ATOM 0 HA VAL A 61 59.829 -1.751 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 61 58.270 0.213 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.302 -1.084 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.324 -2.059 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.389 -2.320 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.328 0.653 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.418 -0.570 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.088 0.914 1.518 1.00 0.00 H new ATOM 983 N THR A 62 60.939 0.620 -1.087 1.00 0.00 N ATOM 984 CA THR A 62 61.987 1.677 -1.166 1.00 0.00 C ATOM 985 C THR A 62 61.433 2.873 -1.966 1.00 0.00 C ATOM 986 O THR A 62 60.312 3.287 -1.745 1.00 0.00 O ATOM 987 CB THR A 62 63.173 0.997 -1.869 1.00 0.00 C ATOM 988 OG1 THR A 62 64.248 1.920 -1.977 1.00 0.00 O ATOM 989 CG2 THR A 62 62.758 0.532 -3.268 1.00 0.00 C ATOM 0 H THR A 62 60.308 0.583 -1.888 1.00 0.00 H new ATOM 0 HA THR A 62 62.292 2.071 -0.197 1.00 0.00 H new ATOM 0 HB THR A 62 63.487 0.132 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 62 65.006 1.488 -2.423 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.605 0.052 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.935 -0.178 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.438 1.391 -3.857 1.00 0.00 H new ATOM 997 N GLU A 63 62.186 3.433 -2.887 1.00 0.00 N ATOM 998 CA GLU A 63 61.666 4.590 -3.676 1.00 0.00 C ATOM 999 C GLU A 63 60.931 4.089 -4.921 1.00 0.00 C ATOM 1000 O GLU A 63 61.395 3.204 -5.611 1.00 0.00 O ATOM 1001 CB GLU A 63 62.903 5.399 -4.067 1.00 0.00 C ATOM 1002 CG GLU A 63 62.492 6.840 -4.382 1.00 0.00 C ATOM 1003 CD GLU A 63 63.697 7.765 -4.204 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.797 7.340 -4.517 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.500 8.882 -3.756 1.00 0.00 O ATOM 0 H GLU A 63 63.133 3.138 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 63 60.956 5.191 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.631 5.386 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.386 4.949 -4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.116 6.907 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.681 7.150 -3.723 1.00 0.00 H new ATOM 1012 N ALA A 64 59.778 4.649 -5.206 1.00 0.00 N ATOM 1013 CA ALA A 64 58.980 4.214 -6.403 1.00 0.00 C ATOM 1014 C ALA A 64 59.857 4.131 -7.663 1.00 0.00 C ATOM 1015 O ALA A 64 60.999 4.548 -7.659 1.00 0.00 O ATOM 1016 CB ALA A 64 57.924 5.299 -6.584 1.00 0.00 C ATOM 0 H ALA A 64 59.351 5.395 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 64 58.552 3.223 -6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.296 5.056 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.307 5.359 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.413 6.258 -6.752 1.00 0.00 H new ATOM 1022 N GLU A 65 59.324 3.606 -8.739 1.00 0.00 N ATOM 1023 CA GLU A 65 60.121 3.504 -10.000 1.00 0.00 C ATOM 1024 C GLU A 65 59.572 4.478 -11.048 1.00 0.00 C ATOM 1025 O GLU A 65 58.854 4.093 -11.948 1.00 0.00 O ATOM 1026 CB GLU A 65 59.947 2.057 -10.471 1.00 0.00 C ATOM 1027 CG GLU A 65 61.213 1.256 -10.156 1.00 0.00 C ATOM 1028 CD GLU A 65 60.889 -0.239 -10.166 1.00 0.00 C ATOM 1029 OE1 GLU A 65 59.861 -0.606 -9.623 1.00 0.00 O ATOM 1030 OE2 GLU A 65 61.676 -0.992 -10.716 1.00 0.00 O ATOM 0 H GLU A 65 58.372 3.244 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 65 61.170 3.756 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 65 59.087 1.605 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 65 59.748 2.035 -11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.987 1.476 -10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.607 1.547 -9.182 1.00 0.00 H new ATOM 1037 N ASP A 66 59.911 5.741 -10.932 1.00 0.00 N ATOM 1038 CA ASP A 66 59.424 6.769 -11.909 1.00 0.00 C ATOM 1039 C ASP A 66 57.883 6.765 -11.981 1.00 0.00 C ATOM 1040 O ASP A 66 57.231 7.514 -11.278 1.00 0.00 O ATOM 1041 CB ASP A 66 60.064 6.393 -13.256 1.00 0.00 C ATOM 1042 CG ASP A 66 59.590 7.358 -14.347 1.00 0.00 C ATOM 1043 OD1 ASP A 66 59.749 8.554 -14.161 1.00 0.00 O ATOM 1044 OD2 ASP A 66 59.077 6.886 -15.347 1.00 0.00 O ATOM 0 H ASP A 66 60.511 6.108 -10.193 1.00 0.00 H new ATOM 0 HA ASP A 66 59.704 7.781 -11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.150 6.428 -13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 66 59.797 5.370 -13.522 1.00 0.00 H new ATOM 1049 N SER A 67 57.297 5.937 -12.816 1.00 0.00 N ATOM 1050 CA SER A 67 55.807 5.900 -12.918 1.00 0.00 C ATOM 1051 C SER A 67 55.353 4.586 -13.558 1.00 0.00 C ATOM 1052 O SER A 67 55.743 4.334 -14.686 1.00 0.00 O ATOM 1053 CB SER A 67 55.442 7.085 -13.810 1.00 0.00 C ATOM 1054 OG SER A 67 55.901 6.837 -15.132 1.00 0.00 O ATOM 1055 OXT SER A 67 54.624 3.854 -12.909 1.00 0.00 O ATOM 0 H SER A 67 57.789 5.287 -13.429 1.00 0.00 H new ATOM 0 HA SER A 67 55.325 5.961 -11.942 1.00 0.00 H new ATOM 0 HB2 SER A 67 54.363 7.236 -13.810 1.00 0.00 H new ATOM 0 HB3 SER A 67 55.892 7.999 -13.422 1.00 0.00 H new ATOM 0 HG SER A 67 55.803 5.884 -15.339 1.00 0.00 H new TER 1061 SER A 67