USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 SER OG : rot -167:sc= 1.12 USER MOD Set 1.2: A 18 LYS NZ :NH3+ -105:sc= 2.06 (180deg=0.365) USER MOD Set 1.3: A 46 SER OG : rot 52:sc= 1.23 USER MOD Single : A 3 CYS SG : rot 70:sc= 0.912 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 91:sc= 1.29 USER MOD Single : A 21 THR OG1 : rot 100:sc= 0.389 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= 0.946 (180deg=0.744) USER MOD Single : A 26 SER OG : rot 77:sc= 1.24 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 41 THR OG1 : rot -110:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.09 K(o=1.1,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.619 -1.360 -7.752 1.00 0.00 N ATOM 19 CA LEU A 2 -6.306 -2.684 -7.198 1.00 0.00 C ATOM 20 C LEU A 2 -4.817 -2.856 -6.901 1.00 0.00 C ATOM 21 O LEU A 2 -3.961 -2.225 -7.526 1.00 0.00 O ATOM 22 CB LEU A 2 -6.889 -3.799 -8.092 1.00 0.00 C ATOM 23 CG LEU A 2 -6.109 -4.140 -9.382 1.00 0.00 C ATOM 24 CD1 LEU A 2 -6.796 -5.307 -10.094 1.00 0.00 C ATOM 25 CD2 LEU A 2 -6.025 -2.984 -10.381 1.00 0.00 C ATOM 0 HA LEU A 2 -6.795 -2.769 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.969 -4.707 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.902 -3.513 -8.374 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.095 -4.381 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.249 -5.551 -11.005 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.811 -6.176 -9.436 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.818 -5.027 -10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.463 -3.302 -11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.030 -2.689 -10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.522 -2.137 -9.915 1.00 0.00 H new ATOM 37 N CYS A 3 -4.517 -3.732 -5.940 1.00 0.00 N ATOM 38 CA CYS A 3 -3.201 -3.865 -5.355 1.00 0.00 C ATOM 39 C CYS A 3 -2.080 -4.210 -6.344 1.00 0.00 C ATOM 40 O CYS A 3 -2.212 -5.119 -7.163 1.00 0.00 O ATOM 41 CB CYS A 3 -3.286 -4.846 -4.167 1.00 0.00 C ATOM 42 SG CYS A 3 -4.828 -4.786 -3.226 1.00 0.00 S ATOM 0 H CYS A 3 -5.202 -4.377 -5.546 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.901 -2.880 -4.997 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.148 -5.860 -4.543 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.457 -4.642 -3.489 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.795 -5.271 -3.947 1.00 0.00 H new ATOM 48 N ALA A 4 -0.937 -3.528 -6.206 1.00 0.00 N ATOM 49 CA ALA A 4 0.250 -3.802 -7.035 1.00 0.00 C ATOM 50 C ALA A 4 0.884 -5.172 -6.721 1.00 0.00 C ATOM 51 O ALA A 4 1.619 -5.733 -7.536 1.00 0.00 O ATOM 52 CB ALA A 4 1.284 -2.681 -6.869 1.00 0.00 C ATOM 0 H ALA A 4 -0.806 -2.779 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.082 -3.835 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.156 -2.896 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.845 -1.732 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.587 -2.617 -5.824 1.00 0.00 H new ATOM 58 N ILE A 5 0.599 -5.697 -5.521 1.00 0.00 N ATOM 59 CA ILE A 5 1.230 -6.882 -4.929 1.00 0.00 C ATOM 60 C ILE A 5 0.416 -8.163 -5.199 1.00 0.00 C ATOM 61 O ILE A 5 0.983 -9.154 -5.662 1.00 0.00 O ATOM 62 CB ILE A 5 1.482 -6.601 -3.428 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.555 -5.496 -3.278 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.959 -7.886 -2.724 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.691 -4.931 -1.860 1.00 0.00 C ATOM 0 H ILE A 5 -0.109 -5.288 -4.911 1.00 0.00 H new ATOM 0 HA ILE A 5 2.193 -7.074 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 5 0.552 -6.267 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.519 -5.899 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.316 -4.680 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.134 -7.679 -1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.196 -8.659 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.885 -8.231 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.465 -4.163 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.742 -4.495 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.964 -5.733 -1.174 1.00 0.00 H new ATOM 77 N SER A 6 -0.901 -8.151 -4.936 1.00 0.00 N ATOM 78 CA SER A 6 -1.801 -9.313 -5.123 1.00 0.00 C ATOM 79 C SER A 6 -3.050 -9.043 -5.981 1.00 0.00 C ATOM 80 O SER A 6 -3.667 -9.977 -6.493 1.00 0.00 O ATOM 81 CB SER A 6 -2.171 -9.939 -3.768 1.00 0.00 C ATOM 82 OG SER A 6 -2.646 -11.267 -3.918 1.00 0.00 O ATOM 0 H SER A 6 -1.382 -7.324 -4.582 1.00 0.00 H new ATOM 0 HA SER A 6 -1.224 -10.030 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.298 -9.936 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.935 -9.332 -3.282 1.00 0.00 H new ATOM 0 HG SER A 6 -2.871 -11.635 -3.038 1.00 0.00 H new ATOM 88 N GLY A 7 -3.420 -7.773 -6.196 1.00 0.00 N ATOM 89 CA GLY A 7 -4.536 -7.397 -7.079 1.00 0.00 C ATOM 90 C GLY A 7 -5.928 -7.613 -6.479 1.00 0.00 C ATOM 91 O GLY A 7 -6.941 -7.609 -7.182 1.00 0.00 O ATOM 0 H GLY A 7 -2.954 -6.976 -5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.430 -6.346 -7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.460 -7.971 -8.002 1.00 0.00 H new ATOM 95 N LYS A 8 -5.948 -7.835 -5.167 1.00 0.00 N ATOM 96 CA LYS A 8 -7.097 -8.091 -4.295 1.00 0.00 C ATOM 97 C LYS A 8 -7.984 -6.844 -4.125 1.00 0.00 C ATOM 98 O LYS A 8 -7.562 -5.731 -4.435 1.00 0.00 O ATOM 99 CB LYS A 8 -6.441 -8.580 -2.986 1.00 0.00 C ATOM 100 CG LYS A 8 -7.380 -8.876 -1.812 1.00 0.00 C ATOM 101 CD LYS A 8 -6.582 -9.530 -0.676 1.00 0.00 C ATOM 102 CE LYS A 8 -7.493 -9.871 0.510 1.00 0.00 C ATOM 103 NZ LYS A 8 -6.750 -10.570 1.591 1.00 0.00 N ATOM 0 H LYS A 8 -5.078 -7.841 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.795 -8.827 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.877 -9.486 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.722 -7.827 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.844 -7.954 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.185 -9.537 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.099 -10.437 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.790 -8.857 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.934 -8.956 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.315 -10.500 0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.398 -10.784 2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.350 -11.456 1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.981 -9.960 1.934 1.00 0.00 H new ATOM 117 N VAL A 9 -9.215 -7.019 -3.634 1.00 0.00 N ATOM 118 CA VAL A 9 -10.085 -5.912 -3.195 1.00 0.00 C ATOM 119 C VAL A 9 -9.671 -5.534 -1.758 1.00 0.00 C ATOM 120 O VAL A 9 -9.826 -6.355 -0.848 1.00 0.00 O ATOM 121 CB VAL A 9 -11.581 -6.244 -3.375 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.113 -7.444 -2.580 1.00 0.00 C ATOM 123 CG2 VAL A 9 -12.449 -5.020 -3.063 1.00 0.00 C ATOM 0 H VAL A 9 -9.643 -7.939 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.949 -5.033 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.652 -6.534 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.174 -7.577 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.570 -8.343 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.973 -7.265 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.500 -5.276 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.279 -4.707 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.186 -4.206 -3.738 1.00 0.00 H new ATOM 133 N PRO A 10 -9.054 -4.358 -1.526 1.00 0.00 N ATOM 134 CA PRO A 10 -8.433 -4.046 -0.241 1.00 0.00 C ATOM 135 C PRO A 10 -9.440 -3.839 0.901 1.00 0.00 C ATOM 136 O PRO A 10 -10.478 -3.189 0.745 1.00 0.00 O ATOM 137 CB PRO A 10 -7.576 -2.803 -0.504 1.00 0.00 C ATOM 138 CG PRO A 10 -8.318 -2.091 -1.632 1.00 0.00 C ATOM 139 CD PRO A 10 -8.850 -3.257 -2.464 1.00 0.00 C ATOM 0 HA PRO A 10 -7.835 -4.886 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.497 -2.175 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.561 -3.070 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.123 -1.461 -1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.655 -1.448 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.783 -2.989 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.142 -3.535 -3.245 1.00 0.00 H new ATOM 147 N ARG A 11 -9.096 -4.390 2.070 1.00 0.00 N ATOM 148 CA ARG A 11 -9.739 -4.188 3.377 1.00 0.00 C ATOM 149 C ARG A 11 -9.178 -2.928 4.045 1.00 0.00 C ATOM 150 O ARG A 11 -9.946 -2.136 4.591 1.00 0.00 O ATOM 151 CB ARG A 11 -9.514 -5.423 4.270 1.00 0.00 C ATOM 152 CG ARG A 11 -10.421 -6.623 3.949 1.00 0.00 C ATOM 153 CD ARG A 11 -10.218 -7.231 2.553 1.00 0.00 C ATOM 154 NE ARG A 11 -10.907 -8.532 2.441 1.00 0.00 N ATOM 155 CZ ARG A 11 -11.076 -9.262 1.355 1.00 0.00 C ATOM 156 NH1 ARG A 11 -10.666 -8.882 0.180 1.00 0.00 N ATOM 157 NH2 ARG A 11 -11.669 -10.419 1.432 1.00 0.00 N ATOM 0 H ARG A 11 -8.307 -5.033 2.135 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.811 -4.056 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.474 -5.736 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.669 -5.136 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.251 -7.399 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.461 -6.310 4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.599 -6.547 1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.153 -7.361 2.360 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.298 -8.911 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.192 -7.986 0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.819 -9.480 -0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.003 -10.762 2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.799 -10.982 0.592 1.00 0.00 H new ATOM 171 N ARG A 12 -7.860 -2.714 3.954 1.00 0.00 N ATOM 172 CA ARG A 12 -7.156 -1.474 4.327 1.00 0.00 C ATOM 173 C ARG A 12 -6.403 -0.941 3.096 1.00 0.00 C ATOM 174 O ARG A 12 -5.230 -1.272 2.920 1.00 0.00 O ATOM 175 CB ARG A 12 -6.237 -1.721 5.541 1.00 0.00 C ATOM 176 CG ARG A 12 -6.939 -1.537 6.895 1.00 0.00 C ATOM 177 CD ARG A 12 -7.021 -0.052 7.289 1.00 0.00 C ATOM 178 NE ARG A 12 -7.717 0.121 8.576 1.00 0.00 N ATOM 179 CZ ARG A 12 -7.318 0.791 9.646 1.00 0.00 C ATOM 180 NH1 ARG A 12 -6.172 1.406 9.733 1.00 0.00 N ATOM 181 NH2 ARG A 12 -8.095 0.858 10.689 1.00 0.00 N ATOM 0 H ARG A 12 -7.224 -3.430 3.603 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.866 -0.708 4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.838 -2.734 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.387 -1.040 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.943 -1.958 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.399 -2.090 7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.016 0.365 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.545 0.505 6.512 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.626 -0.335 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.523 1.388 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.925 1.905 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.004 0.396 10.678 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.794 1.372 11.517 1.00 0.00 H new ATOM 195 N PRO A 13 -7.054 -0.146 2.223 1.00 0.00 N ATOM 196 CA PRO A 13 -6.413 0.518 1.094 1.00 0.00 C ATOM 197 C PRO A 13 -5.285 1.409 1.596 1.00 0.00 C ATOM 198 O PRO A 13 -5.450 2.257 2.471 1.00 0.00 O ATOM 199 CB PRO A 13 -7.505 1.293 0.349 1.00 0.00 C ATOM 200 CG PRO A 13 -8.623 1.415 1.380 1.00 0.00 C ATOM 201 CD PRO A 13 -8.477 0.100 2.133 1.00 0.00 C ATOM 0 HA PRO A 13 -5.954 -0.191 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.151 2.271 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.838 0.761 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.490 2.279 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.603 1.516 0.914 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.926 0.165 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.982 -0.710 1.607 1.00 0.00 H new ATOM 209 N VAL A 14 -4.112 1.160 1.046 1.00 0.00 N ATOM 210 CA VAL A 14 -2.825 1.711 1.482 1.00 0.00 C ATOM 211 C VAL A 14 -1.985 2.118 0.280 1.00 0.00 C ATOM 212 O VAL A 14 -1.996 1.460 -0.755 1.00 0.00 O ATOM 213 CB VAL A 14 -2.127 0.675 2.395 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.603 0.609 2.310 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.447 1.014 3.850 1.00 0.00 C ATOM 0 H VAL A 14 -4.017 0.538 0.243 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.972 2.621 2.064 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.508 -0.285 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.233 -0.153 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.306 0.356 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.181 1.577 2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.962 0.292 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.082 2.015 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.525 0.977 4.004 1.00 0.00 H new ATOM 225 N LEU A 15 -1.256 3.222 0.425 1.00 0.00 N ATOM 226 CA LEU A 15 -0.420 3.828 -0.611 1.00 0.00 C ATOM 227 C LEU A 15 0.970 4.184 -0.046 1.00 0.00 C ATOM 228 O LEU A 15 1.137 4.428 1.151 1.00 0.00 O ATOM 229 CB LEU A 15 -1.201 5.046 -1.157 1.00 0.00 C ATOM 230 CG LEU A 15 -0.474 5.938 -2.187 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.472 6.554 -3.171 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.256 7.116 -1.527 1.00 0.00 C ATOM 0 H LEU A 15 -1.230 3.741 1.303 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.221 3.140 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.121 4.682 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.490 5.670 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 15 0.240 5.284 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.938 7.178 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.997 5.760 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.193 7.163 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.751 7.713 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.463 7.736 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.999 6.737 -0.826 1.00 0.00 H new ATOM 244 N SER A 16 1.967 4.237 -0.926 1.00 0.00 N ATOM 245 CA SER A 16 3.318 4.769 -0.702 1.00 0.00 C ATOM 246 C SER A 16 3.611 5.695 -1.888 1.00 0.00 C ATOM 247 O SER A 16 3.391 5.282 -3.030 1.00 0.00 O ATOM 248 CB SER A 16 4.359 3.652 -0.565 1.00 0.00 C ATOM 249 OG SER A 16 5.669 4.196 -0.608 1.00 0.00 O ATOM 0 H SER A 16 1.850 3.888 -1.877 1.00 0.00 H new ATOM 0 HA SER A 16 3.374 5.316 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.209 3.118 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.232 2.926 -1.368 1.00 0.00 H new ATOM 0 HG SER A 16 6.320 3.473 -0.723 1.00 0.00 H new ATOM 255 N PRO A 17 4.045 6.950 -1.675 1.00 0.00 N ATOM 256 CA PRO A 17 4.135 7.963 -2.733 1.00 0.00 C ATOM 257 C PRO A 17 5.178 7.671 -3.826 1.00 0.00 C ATOM 258 O PRO A 17 5.213 8.372 -4.843 1.00 0.00 O ATOM 259 CB PRO A 17 4.411 9.284 -2.001 1.00 0.00 C ATOM 260 CG PRO A 17 5.125 8.843 -0.726 1.00 0.00 C ATOM 261 CD PRO A 17 4.437 7.522 -0.393 1.00 0.00 C ATOM 0 HA PRO A 17 3.206 7.986 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.032 9.952 -2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.488 9.820 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.195 8.713 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.009 9.573 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.110 6.854 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.569 7.682 0.246 1.00 0.00 H new ATOM 269 N LYS A 18 6.008 6.634 -3.656 1.00 0.00 N ATOM 270 CA LYS A 18 6.975 6.170 -4.667 1.00 0.00 C ATOM 271 C LYS A 18 6.265 5.423 -5.801 1.00 0.00 C ATOM 272 O LYS A 18 6.250 5.894 -6.938 1.00 0.00 O ATOM 273 CB LYS A 18 8.074 5.306 -4.035 1.00 0.00 C ATOM 274 CG LYS A 18 8.664 5.877 -2.737 1.00 0.00 C ATOM 275 CD LYS A 18 9.823 4.987 -2.277 1.00 0.00 C ATOM 276 CE LYS A 18 10.064 5.025 -0.766 1.00 0.00 C ATOM 277 NZ LYS A 18 8.963 4.361 -0.028 1.00 0.00 N ATOM 0 H LYS A 18 6.029 6.082 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 18 7.457 7.049 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.667 4.316 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.878 5.177 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.015 6.896 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.897 5.924 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.622 3.959 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.734 5.297 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.009 4.533 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.154 6.060 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.360 5.082 0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.395 3.794 -0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.361 3.741 0.706 1.00 0.00 H new ATOM 291 N SER A 19 5.626 4.290 -5.487 1.00 0.00 N ATOM 292 CA SER A 19 4.740 3.548 -6.392 1.00 0.00 C ATOM 293 C SER A 19 3.496 4.364 -6.768 1.00 0.00 C ATOM 294 O SER A 19 3.025 4.282 -7.902 1.00 0.00 O ATOM 295 CB SER A 19 4.288 2.235 -5.734 1.00 0.00 C ATOM 296 OG SER A 19 5.397 1.438 -5.367 1.00 0.00 O ATOM 0 H SER A 19 5.713 3.851 -4.570 1.00 0.00 H new ATOM 0 HA SER A 19 5.308 3.341 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.687 2.455 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.651 1.681 -6.423 1.00 0.00 H new ATOM 0 HG SER A 19 5.667 1.656 -4.451 1.00 0.00 H new ATOM 302 N ARG A 20 2.966 5.150 -5.813 1.00 0.00 N ATOM 303 CA ARG A 20 1.702 5.923 -5.816 1.00 0.00 C ATOM 304 C ARG A 20 0.444 5.164 -6.284 1.00 0.00 C ATOM 305 O ARG A 20 -0.586 5.763 -6.596 1.00 0.00 O ATOM 306 CB ARG A 20 1.908 7.343 -6.381 1.00 0.00 C ATOM 307 CG ARG A 20 2.417 7.448 -7.830 1.00 0.00 C ATOM 308 CD ARG A 20 2.848 8.879 -8.176 1.00 0.00 C ATOM 309 NE ARG A 20 4.024 9.283 -7.381 1.00 0.00 N ATOM 310 CZ ARG A 20 4.845 10.297 -7.579 1.00 0.00 C ATOM 311 NH1 ARG A 20 4.708 11.133 -8.570 1.00 0.00 N ATOM 312 NH2 ARG A 20 5.827 10.484 -6.750 1.00 0.00 N ATOM 0 H ARG A 20 3.459 5.275 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 20 1.434 6.069 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.959 7.875 -6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.613 7.866 -5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.259 6.770 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.632 7.128 -8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.082 8.945 -9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.023 9.567 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 20 4.230 8.700 -6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.941 11.017 -9.232 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.368 11.903 -8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.955 9.852 -5.960 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.470 11.263 -6.889 1.00 0.00 H new ATOM 326 N THR A 21 0.529 3.836 -6.287 1.00 0.00 N ATOM 327 CA THR A 21 -0.548 2.857 -6.459 1.00 0.00 C ATOM 328 C THR A 21 -1.340 2.716 -5.146 1.00 0.00 C ATOM 329 O THR A 21 -0.936 3.266 -4.117 1.00 0.00 O ATOM 330 CB THR A 21 0.088 1.502 -6.821 1.00 0.00 C ATOM 331 OG1 THR A 21 1.043 1.125 -5.857 1.00 0.00 O ATOM 332 CG2 THR A 21 0.871 1.531 -8.131 1.00 0.00 C ATOM 0 H THR A 21 1.430 3.375 -6.158 1.00 0.00 H new ATOM 0 HA THR A 21 -1.227 3.182 -7.247 1.00 0.00 H new ATOM 0 HB THR A 21 -0.757 0.817 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.647 0.472 -5.243 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.292 0.545 -8.325 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.204 1.808 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.677 2.261 -8.057 1.00 0.00 H new ATOM 340 N ILE A 22 -2.437 1.949 -5.136 1.00 0.00 N ATOM 341 CA ILE A 22 -3.152 1.580 -3.906 1.00 0.00 C ATOM 342 C ILE A 22 -3.165 0.057 -3.814 1.00 0.00 C ATOM 343 O ILE A 22 -3.739 -0.620 -4.666 1.00 0.00 O ATOM 344 CB ILE A 22 -4.572 2.180 -3.835 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.614 3.725 -3.898 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.255 1.743 -2.523 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.599 4.320 -5.314 1.00 0.00 C ATOM 0 H ILE A 22 -2.856 1.565 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.632 2.002 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.091 1.803 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.512 4.070 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.761 4.119 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.258 2.168 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.320 0.655 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.671 2.096 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.631 5.408 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.688 4.012 -5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.467 3.963 -5.868 1.00 0.00 H new ATOM 359 N PHE A 23 -2.521 -0.470 -2.779 1.00 0.00 N ATOM 360 CA PHE A 23 -2.471 -1.883 -2.406 1.00 0.00 C ATOM 361 C PHE A 23 -3.168 -2.138 -1.075 1.00 0.00 C ATOM 362 O PHE A 23 -3.550 -1.226 -0.346 1.00 0.00 O ATOM 363 CB PHE A 23 -1.032 -2.462 -2.449 1.00 0.00 C ATOM 364 CG PHE A 23 0.095 -1.459 -2.345 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.212 -0.665 -1.205 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.991 -1.277 -3.405 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.141 0.393 -1.167 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.949 -0.255 -3.360 1.00 0.00 C ATOM 369 CZ PHE A 23 2.013 0.599 -2.250 1.00 0.00 C ATOM 0 H PHE A 23 -1.985 0.113 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.031 -2.430 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.927 -3.180 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.913 -3.015 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.413 -0.862 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.944 -1.929 -4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.183 1.045 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.638 -0.125 -4.181 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.727 1.409 -2.227 1.00 0.00 H new ATOM 379 N GLU A 24 -3.366 -3.417 -0.778 1.00 0.00 N ATOM 380 CA GLU A 24 -3.889 -3.839 0.515 1.00 0.00 C ATOM 381 C GLU A 24 -2.756 -3.724 1.557 1.00 0.00 C ATOM 382 O GLU A 24 -1.645 -4.206 1.310 1.00 0.00 O ATOM 383 CB GLU A 24 -4.553 -5.225 0.381 1.00 0.00 C ATOM 384 CG GLU A 24 -4.669 -6.050 1.673 1.00 0.00 C ATOM 385 CD GLU A 24 -5.410 -5.303 2.786 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.412 -4.625 2.479 1.00 0.00 O ATOM 387 OE2 GLU A 24 -4.966 -5.369 3.954 1.00 0.00 O ATOM 0 H GLU A 24 -3.170 -4.185 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.689 -3.193 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.554 -5.087 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.988 -5.807 -0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.190 -6.983 1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.671 -6.315 2.021 1.00 0.00 H new ATOM 394 N LYS A 25 -3.014 -3.097 2.719 1.00 0.00 N ATOM 395 CA LYS A 25 -2.062 -2.898 3.823 1.00 0.00 C ATOM 396 C LYS A 25 -1.357 -4.199 4.141 1.00 0.00 C ATOM 397 O LYS A 25 -0.136 -4.226 4.271 1.00 0.00 O ATOM 398 CB LYS A 25 -2.800 -2.391 5.072 1.00 0.00 C ATOM 399 CG LYS A 25 -1.834 -2.110 6.239 1.00 0.00 C ATOM 400 CD LYS A 25 -2.568 -1.431 7.402 1.00 0.00 C ATOM 401 CE LYS A 25 -1.627 -1.061 8.560 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.187 -2.242 9.352 1.00 0.00 N ATOM 0 H LYS A 25 -3.931 -2.699 2.921 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.324 -2.156 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.346 -1.480 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.538 -3.131 5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.388 -3.044 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.018 -1.473 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.062 -0.530 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.349 -2.096 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.750 -0.552 8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.132 -0.356 9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.836 -1.927 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.991 -2.888 9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.427 -2.737 8.844 1.00 0.00 H new ATOM 416 N SER A 26 -2.135 -5.276 4.220 1.00 0.00 N ATOM 417 CA SER A 26 -1.635 -6.590 4.600 1.00 0.00 C ATOM 418 C SER A 26 -0.548 -7.117 3.652 1.00 0.00 C ATOM 419 O SER A 26 0.397 -7.767 4.103 1.00 0.00 O ATOM 420 CB SER A 26 -2.766 -7.622 4.700 1.00 0.00 C ATOM 421 OG SER A 26 -3.812 -7.168 5.540 1.00 0.00 O ATOM 0 H SER A 26 -3.135 -5.259 4.021 1.00 0.00 H new ATOM 0 HA SER A 26 -1.185 -6.453 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.161 -7.828 3.705 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.370 -8.561 5.086 1.00 0.00 H new ATOM 0 HG SER A 26 -4.352 -6.505 5.061 1.00 0.00 H new ATOM 427 N LEU A 27 -0.647 -6.822 2.347 1.00 0.00 N ATOM 428 CA LEU A 27 0.336 -7.254 1.348 1.00 0.00 C ATOM 429 C LEU A 27 1.576 -6.356 1.371 1.00 0.00 C ATOM 430 O LEU A 27 2.694 -6.858 1.250 1.00 0.00 O ATOM 431 CB LEU A 27 -0.229 -7.285 -0.090 1.00 0.00 C ATOM 432 CG LEU A 27 -1.744 -7.337 -0.299 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.035 -7.111 -1.776 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.400 -8.634 0.168 1.00 0.00 C ATOM 0 H LEU A 27 -1.414 -6.275 1.956 1.00 0.00 H new ATOM 0 HA LEU A 27 0.604 -8.274 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.143 -6.400 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.201 -8.152 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.178 -6.553 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.111 -7.145 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.651 -6.136 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.551 -7.890 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.473 -8.586 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.974 -9.475 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.221 -8.768 1.235 1.00 0.00 H new ATOM 446 N LEU A 28 1.397 -5.037 1.535 1.00 0.00 N ATOM 447 CA LEU A 28 2.536 -4.121 1.654 1.00 0.00 C ATOM 448 C LEU A 28 3.346 -4.473 2.909 1.00 0.00 C ATOM 449 O LEU A 28 4.560 -4.598 2.838 1.00 0.00 O ATOM 450 CB LEU A 28 2.105 -2.646 1.676 1.00 0.00 C ATOM 451 CG LEU A 28 3.334 -1.706 1.577 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.916 -1.692 0.162 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.952 -0.290 1.998 1.00 0.00 C ATOM 0 H LEU A 28 0.484 -4.586 1.588 1.00 0.00 H new ATOM 0 HA LEU A 28 3.160 -4.246 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.425 -2.450 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.556 -2.437 2.594 1.00 0.00 H new ATOM 0 HG LEU A 28 4.099 -2.088 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.776 -1.023 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.229 -2.699 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.158 -1.344 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.824 0.359 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.164 0.084 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.594 -0.301 3.028 1.00 0.00 H new ATOM 465 N GLU A 29 2.673 -4.689 4.040 1.00 0.00 N ATOM 466 CA GLU A 29 3.263 -5.104 5.318 1.00 0.00 C ATOM 467 C GLU A 29 4.074 -6.411 5.184 1.00 0.00 C ATOM 468 O GLU A 29 5.187 -6.518 5.702 1.00 0.00 O ATOM 469 CB GLU A 29 2.137 -5.202 6.359 1.00 0.00 C ATOM 470 CG GLU A 29 2.636 -5.289 7.804 1.00 0.00 C ATOM 471 CD GLU A 29 1.451 -5.225 8.788 1.00 0.00 C ATOM 472 OE1 GLU A 29 0.751 -4.184 8.837 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.216 -6.211 9.527 1.00 0.00 O ATOM 0 H GLU A 29 1.661 -4.576 4.095 1.00 0.00 H new ATOM 0 HA GLU A 29 3.986 -4.359 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.488 -4.332 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.529 -6.080 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.188 -6.218 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.329 -4.472 8.006 1.00 0.00 H new ATOM 480 N GLN A 30 3.567 -7.378 4.408 1.00 0.00 N ATOM 481 CA GLN A 30 4.308 -8.588 4.033 1.00 0.00 C ATOM 482 C GLN A 30 5.583 -8.255 3.239 1.00 0.00 C ATOM 483 O GLN A 30 6.680 -8.691 3.591 1.00 0.00 O ATOM 484 CB GLN A 30 3.390 -9.523 3.227 1.00 0.00 C ATOM 485 CG GLN A 30 3.944 -10.950 3.128 1.00 0.00 C ATOM 486 CD GLN A 30 3.034 -11.848 2.292 1.00 0.00 C ATOM 487 OE1 GLN A 30 3.275 -12.105 1.118 1.00 0.00 O ATOM 488 NE2 GLN A 30 1.957 -12.355 2.851 1.00 0.00 N ATOM 0 H GLN A 30 2.624 -7.342 4.020 1.00 0.00 H new ATOM 0 HA GLN A 30 4.626 -9.092 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.405 -9.551 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.256 -9.119 2.224 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.939 -10.925 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.052 -11.370 4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.744 -12.149 3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.335 -12.954 2.308 1.00 0.00 H new ATOM 497 N TYR A 31 5.454 -7.470 2.170 1.00 0.00 N ATOM 498 CA TYR A 31 6.543 -7.162 1.237 1.00 0.00 C ATOM 499 C TYR A 31 7.639 -6.307 1.898 1.00 0.00 C ATOM 500 O TYR A 31 8.839 -6.483 1.659 1.00 0.00 O ATOM 501 CB TYR A 31 5.931 -6.469 0.013 1.00 0.00 C ATOM 502 CG TYR A 31 6.891 -6.237 -1.137 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.519 -7.328 -1.765 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.136 -4.934 -1.601 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.368 -7.118 -2.873 1.00 0.00 C ATOM 506 CE2 TYR A 31 8.035 -4.726 -2.663 1.00 0.00 C ATOM 507 CZ TYR A 31 8.645 -5.810 -3.314 1.00 0.00 C ATOM 508 OH TYR A 31 9.495 -5.589 -4.353 1.00 0.00 O ATOM 0 H TYR A 31 4.573 -7.020 1.921 1.00 0.00 H new ATOM 0 HA TYR A 31 7.039 -8.082 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.095 -7.070 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.522 -5.508 0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.351 -8.330 -1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.635 -4.094 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.806 -7.963 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.259 -3.719 -2.982 1.00 0.00 H new ATOM 0 HH TYR A 31 9.565 -4.626 -4.519 1.00 0.00 H new ATOM 518 N VAL A 32 7.230 -5.417 2.801 1.00 0.00 N ATOM 519 CA VAL A 32 8.104 -4.462 3.482 1.00 0.00 C ATOM 520 C VAL A 32 8.829 -5.070 4.701 1.00 0.00 C ATOM 521 O VAL A 32 9.851 -4.555 5.147 1.00 0.00 O ATOM 522 CB VAL A 32 7.298 -3.187 3.819 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.499 -3.328 5.115 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.141 -1.926 3.960 1.00 0.00 C ATOM 0 H VAL A 32 6.254 -5.338 3.087 1.00 0.00 H new ATOM 0 HA VAL A 32 8.913 -4.185 2.806 1.00 0.00 H new ATOM 0 HB VAL A 32 6.639 -3.080 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.951 -2.406 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.796 -4.155 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.180 -3.524 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.495 -1.081 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.868 -2.062 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.664 -1.732 3.024 1.00 0.00 H new ATOM 534 N LYS A 33 8.338 -6.199 5.227 1.00 0.00 N ATOM 535 CA LYS A 33 9.063 -7.014 6.228 1.00 0.00 C ATOM 536 C LYS A 33 9.920 -8.102 5.560 1.00 0.00 C ATOM 537 O LYS A 33 10.831 -8.649 6.184 1.00 0.00 O ATOM 538 CB LYS A 33 8.125 -7.546 7.329 1.00 0.00 C ATOM 539 CG LYS A 33 7.308 -8.793 6.956 1.00 0.00 C ATOM 540 CD LYS A 33 6.370 -9.197 8.104 1.00 0.00 C ATOM 541 CE LYS A 33 5.493 -10.408 7.756 1.00 0.00 C ATOM 542 NZ LYS A 33 6.281 -11.663 7.617 1.00 0.00 N ATOM 0 H LYS A 33 7.426 -6.579 4.975 1.00 0.00 H new ATOM 0 HA LYS A 33 9.767 -6.361 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.722 -7.775 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.434 -6.751 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.725 -8.595 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.981 -9.618 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.964 -9.426 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.730 -8.352 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.739 -10.541 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.962 -10.212 6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.643 -12.450 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.984 -11.549 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.768 -11.868 8.513 1.00 0.00 H new ATOM 556 N ASP A 34 9.665 -8.376 4.277 1.00 0.00 N ATOM 557 CA ASP A 34 10.449 -9.260 3.401 1.00 0.00 C ATOM 558 C ASP A 34 11.751 -8.593 2.941 1.00 0.00 C ATOM 559 O ASP A 34 12.843 -9.130 3.144 1.00 0.00 O ATOM 560 CB ASP A 34 9.609 -9.637 2.164 1.00 0.00 C ATOM 561 CG ASP A 34 9.280 -11.139 2.102 1.00 0.00 C ATOM 562 OD1 ASP A 34 8.727 -11.698 3.081 1.00 0.00 O ATOM 563 OD2 ASP A 34 9.583 -11.776 1.064 1.00 0.00 O ATOM 0 H ASP A 34 8.865 -7.967 3.794 1.00 0.00 H new ATOM 0 HA ASP A 34 10.707 -10.152 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.680 -9.066 2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.150 -9.351 1.262 1.00 0.00 H new ATOM 568 N THR A 35 11.628 -7.419 2.311 1.00 0.00 N ATOM 569 CA THR A 35 12.743 -6.651 1.722 1.00 0.00 C ATOM 570 C THR A 35 12.697 -5.175 2.103 1.00 0.00 C ATOM 571 O THR A 35 13.713 -4.482 2.045 1.00 0.00 O ATOM 572 CB THR A 35 12.743 -6.724 0.185 1.00 0.00 C ATOM 573 OG1 THR A 35 11.548 -6.170 -0.330 1.00 0.00 O ATOM 574 CG2 THR A 35 12.892 -8.142 -0.366 1.00 0.00 C ATOM 0 H THR A 35 10.725 -6.959 2.191 1.00 0.00 H new ATOM 0 HA THR A 35 13.646 -7.111 2.124 1.00 0.00 H new ATOM 0 HB THR A 35 13.615 -6.154 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.559 -6.220 -1.309 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.883 -8.112 -1.456 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.834 -8.569 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.065 -8.758 -0.013 1.00 0.00 H new ATOM 582 N GLY A 36 11.515 -4.682 2.488 1.00 0.00 N ATOM 583 CA GLY A 36 11.250 -3.266 2.713 1.00 0.00 C ATOM 584 C GLY A 36 10.899 -2.499 1.437 1.00 0.00 C ATOM 585 O GLY A 36 10.433 -1.371 1.515 1.00 0.00 O ATOM 0 H GLY A 36 10.701 -5.274 2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.430 -3.167 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.127 -2.809 3.172 1.00 0.00 H new ATOM 589 N ASN A 37 11.094 -3.069 0.256 1.00 0.00 N ATOM 590 CA ASN A 37 10.987 -2.332 -0.997 1.00 0.00 C ATOM 591 C ASN A 37 9.557 -1.843 -1.316 1.00 0.00 C ATOM 592 O ASN A 37 8.566 -2.393 -0.838 1.00 0.00 O ATOM 593 CB ASN A 37 11.484 -3.275 -2.107 1.00 0.00 C ATOM 594 CG ASN A 37 12.976 -3.581 -2.055 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.766 -2.941 -1.376 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.410 -4.578 -2.793 1.00 0.00 N ATOM 0 H ASN A 37 11.331 -4.054 0.139 1.00 0.00 H new ATOM 0 HA ASN A 37 11.586 -1.425 -0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.931 -4.212 -2.044 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.250 -2.831 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.402 -4.815 -2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.755 -5.115 -3.361 1.00 0.00 H new ATOM 603 N ASP A 38 9.448 -0.792 -2.128 1.00 0.00 N ATOM 604 CA ASP A 38 8.179 -0.379 -2.748 1.00 0.00 C ATOM 605 C ASP A 38 7.948 -1.326 -3.948 1.00 0.00 C ATOM 606 O ASP A 38 8.888 -1.554 -4.716 1.00 0.00 O ATOM 607 CB ASP A 38 8.231 1.066 -3.266 1.00 0.00 C ATOM 608 CG ASP A 38 7.282 1.987 -2.495 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.561 2.333 -1.322 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.248 2.376 -3.083 1.00 0.00 O ATOM 0 H ASP A 38 10.238 -0.197 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 38 7.380 -0.430 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.250 1.444 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.970 1.081 -4.324 1.00 0.00 H new ATOM 615 N PRO A 39 6.747 -1.881 -4.179 1.00 0.00 N ATOM 616 CA PRO A 39 6.528 -2.945 -5.173 1.00 0.00 C ATOM 617 C PRO A 39 6.703 -2.510 -6.645 1.00 0.00 C ATOM 618 O PRO A 39 6.611 -3.361 -7.534 1.00 0.00 O ATOM 619 CB PRO A 39 5.117 -3.469 -4.886 1.00 0.00 C ATOM 620 CG PRO A 39 4.419 -2.257 -4.282 1.00 0.00 C ATOM 621 CD PRO A 39 5.518 -1.597 -3.456 1.00 0.00 C ATOM 0 HA PRO A 39 7.293 -3.714 -5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.620 -3.810 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.132 -4.312 -4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.037 -1.587 -5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.570 -2.548 -3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.353 -0.524 -3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.551 -2.003 -2.445 1.00 0.00 H new ATOM 629 N ILE A 40 6.951 -1.219 -6.925 1.00 0.00 N ATOM 630 CA ILE A 40 7.090 -0.661 -8.284 1.00 0.00 C ATOM 631 C ILE A 40 8.488 -0.072 -8.487 1.00 0.00 C ATOM 632 O ILE A 40 9.159 -0.400 -9.468 1.00 0.00 O ATOM 633 CB ILE A 40 5.991 0.391 -8.576 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.555 -0.167 -8.433 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.167 1.046 -9.959 1.00 0.00 C ATOM 636 CD1 ILE A 40 4.196 -1.314 -9.389 1.00 0.00 C ATOM 0 H ILE A 40 7.063 -0.516 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 40 6.960 -1.476 -8.996 1.00 0.00 H new ATOM 0 HB ILE A 40 6.121 1.155 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.419 -0.514 -7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.849 0.649 -8.590 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.374 1.776 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.135 1.546 -10.005 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.117 0.280 -10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.169 -1.632 -9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.293 -0.972 -10.420 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.871 -2.153 -9.220 1.00 0.00 H new ATOM 648 N THR A 41 8.944 0.785 -7.566 1.00 0.00 N ATOM 649 CA THR A 41 10.259 1.447 -7.670 1.00 0.00 C ATOM 650 C THR A 41 11.404 0.625 -7.074 1.00 0.00 C ATOM 651 O THR A 41 12.570 0.933 -7.320 1.00 0.00 O ATOM 652 CB THR A 41 10.267 2.836 -7.024 1.00 0.00 C ATOM 653 OG1 THR A 41 9.835 2.712 -5.699 1.00 0.00 O ATOM 654 CG2 THR A 41 9.323 3.815 -7.722 1.00 0.00 C ATOM 0 H THR A 41 8.419 1.041 -6.730 1.00 0.00 H new ATOM 0 HA THR A 41 10.426 1.543 -8.743 1.00 0.00 H new ATOM 0 HB THR A 41 11.283 3.223 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.949 3.120 -5.604 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.369 4.783 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.623 3.929 -8.764 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.304 3.432 -7.678 1.00 0.00 H new ATOM 662 N ASN A 42 11.087 -0.428 -6.310 1.00 0.00 N ATOM 663 CA ASN A 42 11.970 -1.232 -5.455 1.00 0.00 C ATOM 664 C ASN A 42 12.868 -0.424 -4.498 1.00 0.00 C ATOM 665 O ASN A 42 13.873 -0.925 -3.995 1.00 0.00 O ATOM 666 CB ASN A 42 12.619 -2.410 -6.220 1.00 0.00 C ATOM 667 CG ASN A 42 14.074 -2.244 -6.652 1.00 0.00 C ATOM 668 OD1 ASN A 42 14.903 -3.122 -6.447 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.440 -1.161 -7.296 1.00 0.00 N ATOM 0 H ASN A 42 10.126 -0.768 -6.271 1.00 0.00 H new ATOM 0 HA ASN A 42 11.329 -1.728 -4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.552 -3.298 -5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.022 -2.604 -7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.403 -1.060 -7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.762 -0.420 -7.475 1.00 0.00 H new ATOM 676 N GLU A 43 12.479 0.822 -4.208 1.00 0.00 N ATOM 677 CA GLU A 43 13.190 1.680 -3.254 1.00 0.00 C ATOM 678 C GLU A 43 13.034 1.129 -1.822 1.00 0.00 C ATOM 679 O GLU A 43 11.900 0.844 -1.421 1.00 0.00 O ATOM 680 CB GLU A 43 12.611 3.090 -3.336 1.00 0.00 C ATOM 681 CG GLU A 43 12.920 3.771 -4.676 1.00 0.00 C ATOM 682 CD GLU A 43 14.056 4.803 -4.547 1.00 0.00 C ATOM 683 OE1 GLU A 43 15.242 4.395 -4.489 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.775 6.026 -4.501 1.00 0.00 O ATOM 0 H GLU A 43 11.662 1.264 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 43 14.251 1.700 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.531 3.045 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.014 3.694 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.197 3.016 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.022 4.264 -5.048 1.00 0.00 H new ATOM 691 N PRO A 44 14.122 0.947 -1.049 1.00 0.00 N ATOM 692 CA PRO A 44 14.068 0.282 0.251 1.00 0.00 C ATOM 693 C PRO A 44 13.321 1.109 1.308 1.00 0.00 C ATOM 694 O PRO A 44 13.558 2.311 1.462 1.00 0.00 O ATOM 695 CB PRO A 44 15.529 0.027 0.643 1.00 0.00 C ATOM 696 CG PRO A 44 16.298 1.120 -0.094 1.00 0.00 C ATOM 697 CD PRO A 44 15.496 1.294 -1.383 1.00 0.00 C ATOM 0 HA PRO A 44 13.503 -0.648 0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.672 0.095 1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.857 -0.967 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.340 2.044 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.327 0.823 -0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.562 2.319 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.881 0.648 -2.172 1.00 0.00 H new ATOM 705 N LEU A 45 12.461 0.413 2.062 1.00 0.00 N ATOM 706 CA LEU A 45 11.468 0.898 3.042 1.00 0.00 C ATOM 707 C LEU A 45 10.273 1.617 2.386 1.00 0.00 C ATOM 708 O LEU A 45 10.402 2.358 1.410 1.00 0.00 O ATOM 709 CB LEU A 45 12.105 1.640 4.232 1.00 0.00 C ATOM 710 CG LEU A 45 12.827 0.679 5.197 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.820 1.445 6.071 1.00 0.00 C ATOM 712 CD2 LEU A 45 11.838 -0.036 6.126 1.00 0.00 C ATOM 0 H LEU A 45 12.437 -0.605 1.998 1.00 0.00 H new ATOM 0 HA LEU A 45 11.024 0.011 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.814 2.379 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.332 2.185 4.775 1.00 0.00 H new ATOM 0 HG LEU A 45 13.345 -0.056 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.321 0.751 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.561 1.933 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.288 2.197 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.383 -0.705 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.296 0.702 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.132 -0.614 5.530 1.00 0.00 H new ATOM 724 N SER A 46 9.082 1.380 2.944 1.00 0.00 N ATOM 725 CA SER A 46 7.778 1.757 2.383 1.00 0.00 C ATOM 726 C SER A 46 6.839 2.234 3.484 1.00 0.00 C ATOM 727 O SER A 46 6.339 3.355 3.450 1.00 0.00 O ATOM 728 CB SER A 46 7.170 0.579 1.613 1.00 0.00 C ATOM 729 OG SER A 46 6.265 1.061 0.644 1.00 0.00 O ATOM 0 H SER A 46 8.995 0.899 3.839 1.00 0.00 H new ATOM 0 HA SER A 46 7.923 2.582 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.959 0.000 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.657 -0.092 2.302 1.00 0.00 H new ATOM 0 HG SER A 46 6.707 1.741 0.093 1.00 0.00 H new ATOM 735 N ILE A 47 6.666 1.403 4.514 1.00 0.00 N ATOM 736 CA ILE A 47 5.827 1.647 5.681 1.00 0.00 C ATOM 737 C ILE A 47 6.208 2.848 6.549 1.00 0.00 C ATOM 738 O ILE A 47 5.349 3.469 7.168 1.00 0.00 O ATOM 739 CB ILE A 47 5.691 0.332 6.464 1.00 0.00 C ATOM 740 CG1 ILE A 47 4.431 0.301 7.345 1.00 0.00 C ATOM 741 CG2 ILE A 47 6.959 -0.022 7.262 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.888 -1.130 7.416 1.00 0.00 C ATOM 0 H ILE A 47 7.133 0.497 4.555 1.00 0.00 H new ATOM 0 HA ILE A 47 4.850 1.963 5.314 1.00 0.00 H new ATOM 0 HB ILE A 47 5.571 -0.449 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.666 0.661 8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.673 0.969 6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.804 -0.960 7.794 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.801 -0.128 6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.171 0.771 7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.995 -1.150 8.041 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.637 -1.474 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.646 -1.786 7.845 1.00 0.00 H new ATOM 754 N GLU A 48 7.474 3.257 6.514 1.00 0.00 N ATOM 755 CA GLU A 48 7.999 4.484 7.080 1.00 0.00 C ATOM 756 C GLU A 48 7.408 5.730 6.387 1.00 0.00 C ATOM 757 O GLU A 48 7.462 6.840 6.923 1.00 0.00 O ATOM 758 CB GLU A 48 9.529 4.359 6.956 1.00 0.00 C ATOM 759 CG GLU A 48 10.212 5.274 5.928 1.00 0.00 C ATOM 760 CD GLU A 48 11.752 5.180 5.970 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.349 5.259 7.073 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.383 5.077 4.890 1.00 0.00 O ATOM 0 H GLU A 48 8.200 2.702 6.061 1.00 0.00 H new ATOM 0 HA GLU A 48 7.717 4.620 8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.968 4.558 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.767 3.326 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.864 5.012 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.911 6.306 6.111 1.00 0.00 H new ATOM 769 N GLU A 49 6.813 5.530 5.207 1.00 0.00 N ATOM 770 CA GLU A 49 6.247 6.558 4.325 1.00 0.00 C ATOM 771 C GLU A 49 4.761 6.290 3.996 1.00 0.00 C ATOM 772 O GLU A 49 4.172 6.933 3.124 1.00 0.00 O ATOM 773 CB GLU A 49 7.140 6.650 3.068 1.00 0.00 C ATOM 774 CG GLU A 49 7.106 7.999 2.338 1.00 0.00 C ATOM 775 CD GLU A 49 7.733 9.130 3.176 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.981 9.283 3.162 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.986 9.894 3.835 1.00 0.00 O ATOM 0 H GLU A 49 6.707 4.593 4.819 1.00 0.00 H new ATOM 0 HA GLU A 49 6.244 7.524 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.169 6.438 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.838 5.870 2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.640 7.912 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.074 8.255 2.099 1.00 0.00 H new ATOM 784 N ILE A 50 4.144 5.329 4.694 1.00 0.00 N ATOM 785 CA ILE A 50 2.776 4.861 4.446 1.00 0.00 C ATOM 786 C ILE A 50 1.704 5.954 4.547 1.00 0.00 C ATOM 787 O ILE A 50 1.693 6.803 5.443 1.00 0.00 O ATOM 788 CB ILE A 50 2.435 3.661 5.356 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.218 2.881 4.827 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.238 4.049 6.835 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.184 1.441 5.349 1.00 0.00 C ATOM 0 H ILE A 50 4.596 4.842 5.468 1.00 0.00 H new ATOM 0 HA ILE A 50 2.760 4.540 3.405 1.00 0.00 H new ATOM 0 HB ILE A 50 3.307 3.008 5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.303 3.395 5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.241 2.871 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.001 3.158 7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.154 4.499 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.420 4.764 6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.308 0.930 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.086 0.918 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.134 1.450 6.438 1.00 0.00 H new ATOM 803 N VAL A 51 0.760 5.862 3.619 1.00 0.00 N ATOM 804 CA VAL A 51 -0.507 6.602 3.546 1.00 0.00 C ATOM 805 C VAL A 51 -1.658 5.592 3.554 1.00 0.00 C ATOM 806 O VAL A 51 -2.046 5.075 2.504 1.00 0.00 O ATOM 807 CB VAL A 51 -0.548 7.530 2.311 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.840 8.358 2.272 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.633 8.514 2.288 1.00 0.00 C ATOM 0 H VAL A 51 0.862 5.219 2.833 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.605 7.257 4.412 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.494 6.870 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.835 8.999 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.700 7.689 2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.904 8.975 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.563 9.146 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.605 9.137 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.570 7.957 2.263 1.00 0.00 H new ATOM 819 N GLU A 52 -2.197 5.252 4.728 1.00 0.00 N ATOM 820 CA GLU A 52 -3.430 4.448 4.802 1.00 0.00 C ATOM 821 C GLU A 52 -4.657 5.315 4.457 1.00 0.00 C ATOM 822 O GLU A 52 -4.921 6.338 5.098 1.00 0.00 O ATOM 823 CB GLU A 52 -3.647 3.750 6.161 1.00 0.00 C ATOM 824 CG GLU A 52 -2.421 3.156 6.872 1.00 0.00 C ATOM 825 CD GLU A 52 -2.829 2.465 8.192 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.844 1.726 8.219 1.00 0.00 O ATOM 827 OE2 GLU A 52 -2.127 2.653 9.215 1.00 0.00 O ATOM 0 H GLU A 52 -1.808 5.515 5.633 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.309 3.653 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.108 4.471 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.368 2.946 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.929 2.436 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.698 3.945 7.079 1.00 0.00 H new ATOM 834 N ILE A 53 -5.403 4.913 3.431 1.00 0.00 N ATOM 835 CA ILE A 53 -6.683 5.496 3.012 1.00 0.00 C ATOM 836 C ILE A 53 -7.807 4.892 3.883 1.00 0.00 C ATOM 837 O ILE A 53 -7.667 3.794 4.430 1.00 0.00 O ATOM 838 CB ILE A 53 -6.874 5.230 1.494 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.744 5.907 0.670 1.00 0.00 C ATOM 840 CG2 ILE A 53 -8.243 5.715 0.975 1.00 0.00 C ATOM 841 CD1 ILE A 53 -5.577 5.327 -0.742 1.00 0.00 C ATOM 0 H ILE A 53 -5.121 4.133 2.837 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.707 6.576 3.156 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.830 4.149 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.952 6.974 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.802 5.805 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.323 5.504 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.039 5.196 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.335 6.788 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.770 5.849 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.337 4.266 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.505 5.454 -1.300 1.00 0.00 H new