USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 8 SER OG : rot 30:sc= 0.0235 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -0.123 (180deg=-0.568) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= -0.8 (180deg=-2.19!) USER MOD Single : A 19 MET CE :methyl -112:sc= 0 (180deg=-0.949) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00157) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 30 GLN : amide:sc= -1.65 X(o=-1.6,f=-1.9) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 81:sc= 0.218 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -4.59 K(o=-4.6,f=-8.3!) USER MOD Single : A 49 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.1!) USER MOD Single : A 73 GLN : amide:sc= -0.0981 K(o=-0.098,f=-1.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.481 16.263 -0.911 1.00 0.00 N ATOM 67 CA SER A 8 5.830 15.160 -0.216 1.00 0.00 C ATOM 68 C SER A 8 4.575 14.715 -0.960 1.00 0.00 C ATOM 69 O SER A 8 3.557 14.394 -0.346 1.00 0.00 O ATOM 70 CB SER A 8 5.470 15.572 1.213 1.00 0.00 C ATOM 71 OG SER A 8 6.634 15.854 1.971 1.00 0.00 O ATOM 0 HA SER A 8 6.527 14.323 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.825 16.451 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.904 14.774 1.693 1.00 0.00 H new ATOM 0 HG SER A 8 7.337 16.191 1.377 1.00 0.00 H new ATOM 77 N ILE A 9 4.656 14.698 -2.286 1.00 0.00 N ATOM 78 CA ILE A 9 3.528 14.290 -3.115 1.00 0.00 C ATOM 79 C ILE A 9 3.773 12.923 -3.743 1.00 0.00 C ATOM 80 O ILE A 9 3.186 11.922 -3.327 1.00 0.00 O ATOM 81 CB ILE A 9 3.253 15.314 -4.232 1.00 0.00 C ATOM 82 CG1 ILE A 9 2.774 16.638 -3.634 1.00 0.00 C ATOM 83 CG2 ILE A 9 2.224 14.766 -5.210 1.00 0.00 C ATOM 84 CD1 ILE A 9 1.723 16.471 -2.559 1.00 0.00 C ATOM 0 H ILE A 9 5.491 14.962 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 9 2.658 14.235 -2.460 1.00 0.00 H new ATOM 0 HB ILE A 9 4.181 15.497 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.629 17.169 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.371 17.262 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.040 15.501 -5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.600 13.846 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.294 14.559 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.431 17.451 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.851 15.969 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.129 15.873 -1.743 1.00 0.00 H new ATOM 96 N LEU A 10 4.643 12.885 -4.745 1.00 0.00 N ATOM 97 CA LEU A 10 4.968 11.639 -5.430 1.00 0.00 C ATOM 98 C LEU A 10 5.239 10.521 -4.428 1.00 0.00 C ATOM 99 O LEU A 10 5.000 9.346 -4.711 1.00 0.00 O ATOM 100 CB LEU A 10 6.185 11.834 -6.336 1.00 0.00 C ATOM 101 CG LEU A 10 5.907 12.434 -7.714 1.00 0.00 C ATOM 102 CD1 LEU A 10 5.782 13.946 -7.623 1.00 0.00 C ATOM 103 CD2 LEU A 10 7.004 12.045 -8.696 1.00 0.00 C ATOM 0 H LEU A 10 5.137 13.703 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 10 4.111 11.355 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.898 12.476 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.669 10.867 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 10 4.961 12.034 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.584 14.355 -8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.961 14.204 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.711 14.365 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.790 12.481 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.963 12.416 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.045 10.959 -8.784 1.00 0.00 H new ATOM 115 N LYS A 11 5.737 10.894 -3.254 1.00 0.00 N ATOM 116 CA LYS A 11 6.037 9.924 -2.208 1.00 0.00 C ATOM 117 C LYS A 11 4.778 9.176 -1.782 1.00 0.00 C ATOM 118 O LYS A 11 4.806 7.962 -1.581 1.00 0.00 O ATOM 119 CB LYS A 11 6.660 10.626 -0.998 1.00 0.00 C ATOM 120 CG LYS A 11 8.136 10.937 -1.169 1.00 0.00 C ATOM 121 CD LYS A 11 8.349 12.304 -1.799 1.00 0.00 C ATOM 122 CE LYS A 11 9.684 12.906 -1.386 1.00 0.00 C ATOM 123 NZ LYS A 11 9.740 13.181 0.076 1.00 0.00 N ATOM 0 H LYS A 11 5.941 11.861 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 11 6.749 9.202 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.121 11.555 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.529 9.998 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.631 10.902 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.600 10.172 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.309 12.216 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.540 12.972 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.490 12.224 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.851 13.832 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.403 13.961 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.793 13.445 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.062 12.329 0.577 1.00 0.00 H new ATOM 137 N ILE A 12 3.677 9.907 -1.647 1.00 0.00 N ATOM 138 CA ILE A 12 2.409 9.311 -1.248 1.00 0.00 C ATOM 139 C ILE A 12 1.692 8.693 -2.443 1.00 0.00 C ATOM 140 O ILE A 12 1.134 7.601 -2.348 1.00 0.00 O ATOM 141 CB ILE A 12 1.482 10.349 -0.589 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.162 10.971 0.632 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.161 9.705 -0.194 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.352 12.071 1.281 1.00 0.00 C ATOM 0 H ILE A 12 3.638 10.913 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 12 2.641 8.531 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 12 1.278 11.140 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.354 10.190 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.130 11.372 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.483 10.452 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.329 9.305 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.347 8.896 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.896 12.465 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.182 12.871 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.394 11.671 1.611 1.00 0.00 H new ATOM 156 N GLU A 13 1.712 9.399 -3.570 1.00 0.00 N ATOM 157 CA GLU A 13 1.064 8.919 -4.784 1.00 0.00 C ATOM 158 C GLU A 13 1.637 7.568 -5.207 1.00 0.00 C ATOM 159 O GLU A 13 0.909 6.693 -5.680 1.00 0.00 O ATOM 160 CB GLU A 13 1.236 9.934 -5.916 1.00 0.00 C ATOM 161 CG GLU A 13 2.478 9.702 -6.760 1.00 0.00 C ATOM 162 CD GLU A 13 2.284 8.613 -7.797 1.00 0.00 C ATOM 163 OE1 GLU A 13 1.265 8.654 -8.518 1.00 0.00 O ATOM 164 OE2 GLU A 13 3.152 7.719 -7.887 1.00 0.00 O ATOM 0 H GLU A 13 2.170 10.305 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 13 0.001 8.796 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.358 9.899 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.279 10.936 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.751 10.631 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.310 9.434 -6.109 1.00 0.00 H new ATOM 171 N LYS A 14 2.944 7.406 -5.037 1.00 0.00 N ATOM 172 CA LYS A 14 3.615 6.163 -5.400 1.00 0.00 C ATOM 173 C LYS A 14 3.171 5.020 -4.493 1.00 0.00 C ATOM 174 O LYS A 14 2.794 3.948 -4.967 1.00 0.00 O ATOM 175 CB LYS A 14 5.134 6.335 -5.314 1.00 0.00 C ATOM 176 CG LYS A 14 5.721 7.134 -6.464 1.00 0.00 C ATOM 177 CD LYS A 14 7.140 7.587 -6.162 1.00 0.00 C ATOM 178 CE LYS A 14 7.951 7.768 -7.435 1.00 0.00 C ATOM 179 NZ LYS A 14 9.403 7.532 -7.207 1.00 0.00 N ATOM 0 H LYS A 14 3.561 8.120 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 14 3.340 5.918 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.383 6.829 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.602 5.351 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.717 6.527 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.095 8.004 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.113 8.527 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.628 6.854 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.587 7.080 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.803 8.777 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.921 7.665 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.757 8.205 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.547 6.561 -6.865 1.00 0.00 H new ATOM 193 N VAL A 15 3.216 5.256 -3.185 1.00 0.00 N ATOM 194 CA VAL A 15 2.815 4.247 -2.213 1.00 0.00 C ATOM 195 C VAL A 15 1.515 3.567 -2.629 1.00 0.00 C ATOM 196 O VAL A 15 1.309 2.382 -2.362 1.00 0.00 O ATOM 197 CB VAL A 15 2.635 4.859 -0.811 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.858 3.910 0.090 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.986 5.200 -0.201 1.00 0.00 C ATOM 0 H VAL A 15 3.526 6.137 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 15 3.614 3.506 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 15 2.062 5.782 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.741 4.359 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.875 3.721 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.401 2.969 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.840 5.631 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.586 4.294 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.501 5.919 -0.837 1.00 0.00 H new ATOM 209 N LEU A 16 0.644 4.323 -3.287 1.00 0.00 N ATOM 210 CA LEU A 16 -0.637 3.793 -3.742 1.00 0.00 C ATOM 211 C LEU A 16 -0.549 3.326 -5.193 1.00 0.00 C ATOM 212 O LEU A 16 -1.094 2.284 -5.555 1.00 0.00 O ATOM 213 CB LEU A 16 -1.729 4.855 -3.602 1.00 0.00 C ATOM 214 CG LEU A 16 -2.085 5.268 -2.174 1.00 0.00 C ATOM 215 CD1 LEU A 16 -3.002 6.480 -2.181 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.733 4.109 -1.429 1.00 0.00 C ATOM 0 H LEU A 16 0.801 5.304 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.890 2.936 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.415 5.744 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.632 4.485 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.165 5.538 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.244 6.759 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.501 7.313 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.920 6.239 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.980 4.421 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.643 3.807 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.041 3.268 -1.392 1.00 0.00 H new ATOM 228 N LYS A 17 0.144 4.104 -6.018 1.00 0.00 N ATOM 229 CA LYS A 17 0.308 3.769 -7.427 1.00 0.00 C ATOM 230 C LYS A 17 0.712 2.308 -7.597 1.00 0.00 C ATOM 231 O LYS A 17 0.029 1.541 -8.276 1.00 0.00 O ATOM 232 CB LYS A 17 1.359 4.678 -8.069 1.00 0.00 C ATOM 233 CG LYS A 17 1.351 4.640 -9.587 1.00 0.00 C ATOM 234 CD LYS A 17 2.275 3.560 -10.124 1.00 0.00 C ATOM 235 CE LYS A 17 3.716 4.039 -10.184 1.00 0.00 C ATOM 236 NZ LYS A 17 4.409 3.879 -8.875 1.00 0.00 N ATOM 0 H LYS A 17 0.601 4.971 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.650 3.922 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.191 5.703 -7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.347 4.386 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.336 4.461 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.659 5.610 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.210 2.676 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.948 3.262 -11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.253 3.480 -10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.738 5.088 -10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.410 3.650 -9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.340 4.765 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.961 3.110 -8.337 1.00 0.00 H new ATOM 250 N ARG A 18 1.823 1.930 -6.974 1.00 0.00 N ATOM 251 CA ARG A 18 2.316 0.560 -7.057 1.00 0.00 C ATOM 252 C ARG A 18 1.338 -0.410 -6.401 1.00 0.00 C ATOM 253 O ARG A 18 1.029 -1.464 -6.956 1.00 0.00 O ATOM 254 CB ARG A 18 3.688 0.450 -6.387 1.00 0.00 C ATOM 255 CG ARG A 18 4.455 -0.803 -6.778 1.00 0.00 C ATOM 256 CD ARG A 18 4.654 -0.887 -8.283 1.00 0.00 C ATOM 257 NE ARG A 18 5.682 -1.860 -8.644 1.00 0.00 N ATOM 258 CZ ARG A 18 6.294 -1.877 -9.823 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.984 -0.980 -10.749 1.00 0.00 N ATOM 260 NH2 ARG A 18 7.219 -2.794 -10.079 1.00 0.00 N ATOM 0 H ARG A 18 2.399 2.552 -6.407 1.00 0.00 H new ATOM 0 HA ARG A 18 2.410 0.296 -8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.282 1.326 -6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.557 0.464 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.425 -0.807 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.915 -1.684 -6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.712 -1.161 -8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.932 0.094 -8.668 1.00 0.00 H new ATOM 0 HE ARG A 18 5.944 -2.564 -7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.273 -0.274 -10.557 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.456 -0.996 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.461 -3.487 -9.370 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.688 -2.806 -10.985 1.00 0.00 H new ATOM 274 N MET A 19 0.855 -0.047 -5.218 1.00 0.00 N ATOM 275 CA MET A 19 -0.089 -0.885 -4.488 1.00 0.00 C ATOM 276 C MET A 19 -1.194 -1.389 -5.410 1.00 0.00 C ATOM 277 O MET A 19 -1.497 -2.581 -5.437 1.00 0.00 O ATOM 278 CB MET A 19 -0.697 -0.108 -3.319 1.00 0.00 C ATOM 279 CG MET A 19 -1.798 -0.863 -2.593 1.00 0.00 C ATOM 280 SD MET A 19 -3.364 -0.837 -3.488 1.00 0.00 S ATOM 281 CE MET A 19 -4.025 0.744 -2.967 1.00 0.00 C ATOM 0 H MET A 19 1.102 0.822 -4.744 1.00 0.00 H new ATOM 0 HA MET A 19 0.454 -1.746 -4.098 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.092 0.139 -2.609 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.099 0.835 -3.690 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.487 -1.897 -2.443 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.942 -0.427 -1.604 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.901 0.583 -2.339 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.268 1.286 -2.401 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.309 1.326 -3.844 1.00 0.00 H new ATOM 291 N ARG A 20 -1.794 -0.472 -6.162 1.00 0.00 N ATOM 292 CA ARG A 20 -2.867 -0.824 -7.084 1.00 0.00 C ATOM 293 C ARG A 20 -2.409 -1.895 -8.070 1.00 0.00 C ATOM 294 O ARG A 20 -2.907 -3.019 -8.054 1.00 0.00 O ATOM 295 CB ARG A 20 -3.341 0.417 -7.846 1.00 0.00 C ATOM 296 CG ARG A 20 -3.925 1.496 -6.949 1.00 0.00 C ATOM 297 CD ARG A 20 -4.052 2.822 -7.683 1.00 0.00 C ATOM 298 NE ARG A 20 -5.073 2.774 -8.725 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.378 2.799 -8.477 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.818 2.870 -7.228 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.246 2.752 -9.479 1.00 0.00 N ATOM 0 H ARG A 20 -1.555 0.520 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.696 -1.224 -6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.502 0.834 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.092 0.119 -8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.905 1.182 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.291 1.624 -6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.298 3.609 -6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.092 3.084 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.768 2.718 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.154 2.906 -6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.820 2.889 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.912 2.697 -10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.248 2.771 -9.287 1.00 0.00 H new ATOM 315 N GLU A 21 -1.458 -1.535 -8.926 1.00 0.00 N ATOM 316 CA GLU A 21 -0.933 -2.465 -9.919 1.00 0.00 C ATOM 317 C GLU A 21 -0.851 -3.879 -9.350 1.00 0.00 C ATOM 318 O GLU A 21 -1.309 -4.838 -9.971 1.00 0.00 O ATOM 319 CB GLU A 21 0.449 -2.013 -10.394 1.00 0.00 C ATOM 320 CG GLU A 21 0.404 -0.872 -11.397 1.00 0.00 C ATOM 321 CD GLU A 21 1.740 -0.639 -12.076 1.00 0.00 C ATOM 322 OE1 GLU A 21 2.632 -0.040 -11.441 1.00 0.00 O ATOM 323 OE2 GLU A 21 1.892 -1.057 -13.243 1.00 0.00 O ATOM 0 H GLU A 21 -1.036 -0.607 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.616 -2.473 -10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.038 -1.704 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.965 -2.861 -10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.351 -1.087 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.095 0.041 -10.889 1.00 0.00 H new ATOM 330 N ILE A 22 -0.261 -3.999 -8.165 1.00 0.00 N ATOM 331 CA ILE A 22 -0.118 -5.294 -7.512 1.00 0.00 C ATOM 332 C ILE A 22 -1.467 -5.992 -7.371 1.00 0.00 C ATOM 333 O ILE A 22 -1.633 -7.138 -7.788 1.00 0.00 O ATOM 334 CB ILE A 22 0.522 -5.155 -6.118 1.00 0.00 C ATOM 335 CG1 ILE A 22 1.926 -4.559 -6.235 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.570 -6.505 -5.419 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.446 -3.977 -4.939 1.00 0.00 C ATOM 0 H ILE A 22 0.125 -3.216 -7.638 1.00 0.00 H new ATOM 0 HA ILE A 22 0.535 -5.895 -8.145 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.090 -4.480 -5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.613 -5.333 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.919 -3.779 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.025 -6.389 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.442 -6.893 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.162 -7.201 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.446 -3.573 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.781 -3.180 -4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.486 -4.758 -4.180 1.00 0.00 H new ATOM 349 N LYS A 23 -2.430 -5.291 -6.782 1.00 0.00 N ATOM 350 CA LYS A 23 -3.767 -5.840 -6.588 1.00 0.00 C ATOM 351 C LYS A 23 -4.227 -6.602 -7.827 1.00 0.00 C ATOM 352 O LYS A 23 -4.619 -7.766 -7.741 1.00 0.00 O ATOM 353 CB LYS A 23 -4.760 -4.719 -6.269 1.00 0.00 C ATOM 354 CG LYS A 23 -6.068 -5.216 -5.679 1.00 0.00 C ATOM 355 CD LYS A 23 -6.922 -4.066 -5.171 1.00 0.00 C ATOM 356 CE LYS A 23 -8.294 -4.546 -4.723 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.215 -5.373 -3.487 1.00 0.00 N ATOM 0 H LYS A 23 -2.309 -4.341 -6.431 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.729 -6.534 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.297 -4.023 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.971 -4.161 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.620 -5.775 -6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.861 -5.906 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.417 -3.577 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.035 -3.320 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.939 -3.686 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.754 -5.129 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.172 -5.667 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.634 -6.216 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.784 -4.815 -2.723 1.00 0.00 H new ATOM 371 N ASN A 24 -4.173 -5.941 -8.978 1.00 0.00 N ATOM 372 CA ASN A 24 -4.584 -6.557 -10.234 1.00 0.00 C ATOM 373 C ASN A 24 -3.753 -7.804 -10.525 1.00 0.00 C ATOM 374 O ASN A 24 -4.284 -8.825 -10.962 1.00 0.00 O ATOM 375 CB ASN A 24 -4.445 -5.558 -11.386 1.00 0.00 C ATOM 376 CG ASN A 24 -5.179 -6.010 -12.634 1.00 0.00 C ATOM 377 OD1 ASN A 24 -6.409 -5.985 -12.686 1.00 0.00 O ATOM 378 ND2 ASN A 24 -4.428 -6.424 -13.646 1.00 0.00 N ATOM 0 H ASN A 24 -3.848 -4.978 -9.067 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.629 -6.851 -10.141 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.831 -4.589 -11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.389 -5.420 -11.619 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.867 -6.739 -14.511 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.412 -6.428 -13.559 1.00 0.00 H new ATOM 385 N GLU A 25 -2.451 -7.712 -10.277 1.00 0.00 N ATOM 386 CA GLU A 25 -1.549 -8.833 -10.513 1.00 0.00 C ATOM 387 C GLU A 25 -1.901 -10.013 -9.613 1.00 0.00 C ATOM 388 O GLU A 25 -1.789 -11.171 -10.017 1.00 0.00 O ATOM 389 CB GLU A 25 -0.098 -8.408 -10.270 1.00 0.00 C ATOM 390 CG GLU A 25 0.914 -9.501 -10.573 1.00 0.00 C ATOM 391 CD GLU A 25 1.112 -9.716 -12.060 1.00 0.00 C ATOM 392 OE1 GLU A 25 0.271 -9.237 -12.847 1.00 0.00 O ATOM 393 OE2 GLU A 25 2.111 -10.368 -12.436 1.00 0.00 O ATOM 0 H GLU A 25 -1.997 -6.874 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.661 -9.144 -11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.125 -7.537 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.013 -8.100 -9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.870 -9.243 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.584 -10.434 -10.116 1.00 0.00 H new ATOM 400 N LEU A 26 -2.328 -9.712 -8.391 1.00 0.00 N ATOM 401 CA LEU A 26 -2.697 -10.747 -7.433 1.00 0.00 C ATOM 402 C LEU A 26 -4.091 -11.293 -7.730 1.00 0.00 C ATOM 403 O LEU A 26 -4.365 -12.474 -7.516 1.00 0.00 O ATOM 404 CB LEU A 26 -2.647 -10.192 -6.008 1.00 0.00 C ATOM 405 CG LEU A 26 -3.555 -10.880 -4.987 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.035 -12.272 -4.664 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.665 -10.043 -3.722 1.00 0.00 C ATOM 0 H LEU A 26 -2.427 -8.759 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.980 -11.563 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.619 -10.255 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.908 -9.134 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.550 -10.978 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.693 -12.746 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.009 -12.871 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.030 -12.198 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.315 -10.548 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.675 -9.913 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.084 -9.067 -3.967 1.00 0.00 H new ATOM 419 N LEU A 27 -4.966 -10.424 -8.225 1.00 0.00 N ATOM 420 CA LEU A 27 -6.332 -10.820 -8.554 1.00 0.00 C ATOM 421 C LEU A 27 -6.364 -11.658 -9.828 1.00 0.00 C ATOM 422 O LEU A 27 -7.152 -12.596 -9.944 1.00 0.00 O ATOM 423 CB LEU A 27 -7.215 -9.581 -8.722 1.00 0.00 C ATOM 424 CG LEU A 27 -7.699 -8.922 -7.430 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.339 -7.575 -7.727 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.678 -9.831 -6.701 1.00 0.00 C ATOM 0 H LEU A 27 -4.755 -9.443 -8.407 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.717 -11.426 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.661 -8.840 -9.299 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.087 -9.859 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.837 -8.758 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.678 -7.120 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.608 -6.922 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.190 -7.716 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.012 -9.345 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.538 -10.027 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.186 -10.772 -6.455 1.00 0.00 H new ATOM 438 N GLN A 28 -5.501 -11.314 -10.779 1.00 0.00 N ATOM 439 CA GLN A 28 -5.431 -12.037 -12.043 1.00 0.00 C ATOM 440 C GLN A 28 -4.720 -13.374 -11.867 1.00 0.00 C ATOM 441 O GLN A 28 -5.236 -14.420 -12.261 1.00 0.00 O ATOM 442 CB GLN A 28 -4.707 -11.195 -13.095 1.00 0.00 C ATOM 443 CG GLN A 28 -5.569 -10.096 -13.693 1.00 0.00 C ATOM 444 CD GLN A 28 -6.479 -10.600 -14.796 1.00 0.00 C ATOM 445 OE1 GLN A 28 -7.550 -11.148 -14.531 1.00 0.00 O ATOM 446 NE2 GLN A 28 -6.056 -10.418 -16.041 1.00 0.00 N ATOM 0 H GLN A 28 -4.842 -10.540 -10.698 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.449 -12.230 -12.380 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.822 -10.746 -12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.359 -11.849 -13.895 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.174 -9.646 -12.906 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.926 -9.310 -14.089 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.162 -9.959 -16.214 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.625 -10.737 -16.825 1.00 0.00 H new ATOM 455 N ALA A 29 -3.532 -13.333 -11.272 1.00 0.00 N ATOM 456 CA ALA A 29 -2.752 -14.543 -11.042 1.00 0.00 C ATOM 457 C ALA A 29 -3.653 -15.719 -10.688 1.00 0.00 C ATOM 458 O ALA A 29 -4.475 -15.631 -9.777 1.00 0.00 O ATOM 459 CB ALA A 29 -1.729 -14.309 -9.940 1.00 0.00 C ATOM 0 H ALA A 29 -3.089 -12.476 -10.941 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.227 -14.788 -11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.153 -15.220 -9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.057 -13.502 -10.233 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.243 -14.036 -9.018 1.00 0.00 H new ATOM 465 N GLN A 30 -3.493 -16.821 -11.415 1.00 0.00 N ATOM 466 CA GLN A 30 -4.295 -18.016 -11.177 1.00 0.00 C ATOM 467 C GLN A 30 -3.919 -18.670 -9.851 1.00 0.00 C ATOM 468 O GLN A 30 -4.775 -18.914 -9.004 1.00 0.00 O ATOM 469 CB GLN A 30 -4.113 -19.014 -12.321 1.00 0.00 C ATOM 470 CG GLN A 30 -4.633 -18.509 -13.658 1.00 0.00 C ATOM 471 CD GLN A 30 -3.760 -17.420 -14.250 1.00 0.00 C ATOM 472 OE1 GLN A 30 -2.550 -17.592 -14.401 1.00 0.00 O ATOM 473 NE2 GLN A 30 -4.371 -16.290 -14.589 1.00 0.00 N ATOM 0 H GLN A 30 -2.816 -16.911 -12.173 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.342 -17.716 -11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.054 -19.252 -12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.626 -19.942 -12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.693 -19.342 -14.358 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.646 -18.127 -13.529 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.376 -16.191 -14.446 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.835 -15.522 -14.992 1.00 0.00 H new ATOM 482 N ASN A 31 -2.631 -18.950 -9.681 1.00 0.00 N ATOM 483 CA ASN A 31 -2.140 -19.577 -8.459 1.00 0.00 C ATOM 484 C ASN A 31 -1.288 -18.602 -7.651 1.00 0.00 C ATOM 485 O ASN A 31 -0.066 -18.730 -7.568 1.00 0.00 O ATOM 486 CB ASN A 31 -1.326 -20.829 -8.793 1.00 0.00 C ATOM 487 CG ASN A 31 -2.161 -21.899 -9.468 1.00 0.00 C ATOM 488 OD1 ASN A 31 -2.197 -21.993 -10.695 1.00 0.00 O ATOM 489 ND2 ASN A 31 -2.838 -22.713 -8.666 1.00 0.00 N ATOM 0 H ASN A 31 -1.909 -18.753 -10.374 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.002 -19.864 -7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.495 -20.556 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.894 -21.233 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.418 -23.453 -9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.778 -22.598 -7.654 1.00 0.00 H new ATOM 496 N PRO A 32 -1.947 -17.606 -7.042 1.00 0.00 N ATOM 497 CA PRO A 32 -1.270 -16.591 -6.229 1.00 0.00 C ATOM 498 C PRO A 32 -0.726 -17.161 -4.924 1.00 0.00 C ATOM 499 O PRO A 32 -0.104 -16.449 -4.136 1.00 0.00 O ATOM 500 CB PRO A 32 -2.373 -15.568 -5.947 1.00 0.00 C ATOM 501 CG PRO A 32 -3.642 -16.343 -6.049 1.00 0.00 C ATOM 502 CD PRO A 32 -3.403 -17.393 -7.098 1.00 0.00 C ATOM 0 HA PRO A 32 -0.402 -16.173 -6.740 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.258 -15.124 -4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.349 -14.751 -6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.899 -16.798 -5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.473 -15.695 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.952 -18.310 -6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.722 -17.056 -8.084 1.00 0.00 H new ATOM 510 N SER A 33 -0.962 -18.450 -4.702 1.00 0.00 N ATOM 511 CA SER A 33 -0.498 -19.116 -3.491 1.00 0.00 C ATOM 512 C SER A 33 0.857 -18.567 -3.055 1.00 0.00 C ATOM 513 O SER A 33 1.128 -18.429 -1.863 1.00 0.00 O ATOM 514 CB SER A 33 -0.401 -20.625 -3.718 1.00 0.00 C ATOM 515 OG SER A 33 -0.294 -21.320 -2.488 1.00 0.00 O ATOM 0 H SER A 33 -1.472 -19.054 -5.346 1.00 0.00 H new ATOM 0 HA SER A 33 -1.221 -18.922 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.281 -20.972 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.465 -20.847 -4.341 1.00 0.00 H new ATOM 0 HG SER A 33 -0.235 -22.283 -2.660 1.00 0.00 H new ATOM 521 N GLU A 34 1.704 -18.258 -4.031 1.00 0.00 N ATOM 522 CA GLU A 34 3.033 -17.726 -3.749 1.00 0.00 C ATOM 523 C GLU A 34 3.008 -16.201 -3.697 1.00 0.00 C ATOM 524 O GLU A 34 3.666 -15.586 -2.857 1.00 0.00 O ATOM 525 CB GLU A 34 4.031 -18.195 -4.809 1.00 0.00 C ATOM 526 CG GLU A 34 4.561 -19.598 -4.568 1.00 0.00 C ATOM 527 CD GLU A 34 5.886 -19.849 -5.262 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.919 -19.802 -6.510 1.00 0.00 O ATOM 529 OE2 GLU A 34 6.888 -20.092 -4.558 1.00 0.00 O ATOM 0 H GLU A 34 1.495 -18.366 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 34 3.347 -18.101 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.552 -18.160 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.870 -17.499 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.680 -19.758 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.828 -20.324 -4.919 1.00 0.00 H new ATOM 536 N LEU A 35 2.245 -15.597 -4.601 1.00 0.00 N ATOM 537 CA LEU A 35 2.134 -14.143 -4.661 1.00 0.00 C ATOM 538 C LEU A 35 1.762 -13.569 -3.297 1.00 0.00 C ATOM 539 O LEU A 35 2.269 -12.524 -2.892 1.00 0.00 O ATOM 540 CB LEU A 35 1.091 -13.734 -5.702 1.00 0.00 C ATOM 541 CG LEU A 35 1.546 -13.774 -7.160 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.356 -13.630 -8.095 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.574 -12.685 -7.429 1.00 0.00 C ATOM 0 H LEU A 35 1.694 -16.091 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 35 3.104 -13.740 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.225 -14.387 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.757 -12.722 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 35 2.014 -14.740 -7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.700 -13.661 -9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.344 -14.447 -7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.142 -12.679 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.886 -12.729 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.133 -11.710 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.440 -12.835 -6.784 1.00 0.00 H new ATOM 555 N TYR A 36 0.873 -14.262 -2.592 1.00 0.00 N ATOM 556 CA TYR A 36 0.432 -13.822 -1.274 1.00 0.00 C ATOM 557 C TYR A 36 1.589 -13.211 -0.489 1.00 0.00 C ATOM 558 O TYR A 36 1.449 -12.147 0.117 1.00 0.00 O ATOM 559 CB TYR A 36 -0.164 -14.995 -0.494 1.00 0.00 C ATOM 560 CG TYR A 36 -1.525 -15.425 -0.994 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.582 -14.524 -1.048 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.754 -16.730 -1.410 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.828 -14.912 -1.504 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.997 -17.127 -1.868 1.00 0.00 C ATOM 565 CZ TYR A 36 -4.030 -16.215 -1.911 1.00 0.00 C ATOM 566 OH TYR A 36 -5.269 -16.604 -2.366 1.00 0.00 O ATOM 0 H TYR A 36 0.444 -15.130 -2.912 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.334 -13.059 -1.411 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.519 -15.843 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.243 -14.719 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.427 -13.504 -0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.947 -17.447 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.639 -14.199 -1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.158 -18.145 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.244 -17.552 -2.615 1.00 0.00 H new ATOM 576 N LEU A 37 2.729 -13.890 -0.505 1.00 0.00 N ATOM 577 CA LEU A 37 3.913 -13.414 0.205 1.00 0.00 C ATOM 578 C LEU A 37 4.587 -12.280 -0.559 1.00 0.00 C ATOM 579 O LEU A 37 4.531 -11.121 -0.147 1.00 0.00 O ATOM 580 CB LEU A 37 4.902 -14.562 0.413 1.00 0.00 C ATOM 581 CG LEU A 37 6.318 -14.161 0.827 1.00 0.00 C ATOM 582 CD1 LEU A 37 6.301 -13.451 2.171 1.00 0.00 C ATOM 583 CD2 LEU A 37 7.225 -15.382 0.878 1.00 0.00 C ATOM 0 H LEU A 37 2.860 -14.772 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 37 3.596 -13.034 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.498 -15.230 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.964 -15.134 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 37 6.712 -13.471 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.318 -13.173 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.686 -12.554 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.887 -14.116 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.229 -15.077 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.834 -16.096 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.263 -15.848 -0.107 1.00 0.00 H new ATOM 595 N SER A 38 5.221 -12.621 -1.677 1.00 0.00 N ATOM 596 CA SER A 38 5.908 -11.631 -2.498 1.00 0.00 C ATOM 597 C SER A 38 5.160 -10.300 -2.485 1.00 0.00 C ATOM 598 O SER A 38 5.699 -9.277 -2.062 1.00 0.00 O ATOM 599 CB SER A 38 6.044 -12.137 -3.936 1.00 0.00 C ATOM 600 OG SER A 38 6.804 -11.235 -4.723 1.00 0.00 O ATOM 0 H SER A 38 5.273 -13.575 -2.035 1.00 0.00 H new ATOM 0 HA SER A 38 6.902 -11.474 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.521 -13.117 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.055 -12.264 -4.376 1.00 0.00 H new ATOM 0 HG SER A 38 6.878 -11.581 -5.637 1.00 0.00 H new ATOM 606 N SER A 39 3.915 -10.324 -2.950 1.00 0.00 N ATOM 607 CA SER A 39 3.094 -9.120 -2.996 1.00 0.00 C ATOM 608 C SER A 39 3.138 -8.382 -1.661 1.00 0.00 C ATOM 609 O SER A 39 3.427 -7.186 -1.608 1.00 0.00 O ATOM 610 CB SER A 39 1.648 -9.477 -3.346 1.00 0.00 C ATOM 611 OG SER A 39 1.579 -10.171 -4.579 1.00 0.00 O ATOM 0 H SER A 39 3.453 -11.163 -3.300 1.00 0.00 H new ATOM 0 HA SER A 39 3.496 -8.464 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.220 -10.092 -2.554 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.049 -8.568 -3.403 1.00 0.00 H new ATOM 0 HG SER A 39 1.791 -11.117 -4.434 1.00 0.00 H new ATOM 617 N LYS A 40 2.849 -9.103 -0.583 1.00 0.00 N ATOM 618 CA LYS A 40 2.857 -8.519 0.753 1.00 0.00 C ATOM 619 C LYS A 40 4.224 -7.929 1.082 1.00 0.00 C ATOM 620 O LYS A 40 4.353 -6.728 1.324 1.00 0.00 O ATOM 621 CB LYS A 40 2.481 -9.575 1.796 1.00 0.00 C ATOM 622 CG LYS A 40 1.786 -9.002 3.019 1.00 0.00 C ATOM 623 CD LYS A 40 0.931 -10.048 3.714 1.00 0.00 C ATOM 624 CE LYS A 40 1.728 -10.811 4.762 1.00 0.00 C ATOM 625 NZ LYS A 40 0.844 -11.605 5.661 1.00 0.00 N ATOM 0 H LYS A 40 2.606 -10.093 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 40 2.120 -7.716 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.830 -10.316 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.383 -10.098 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.531 -8.618 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.162 -8.159 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.075 -9.565 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.536 -10.746 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.435 -11.477 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.313 -10.109 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.424 -12.110 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.186 -10.967 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.304 -12.293 5.098 1.00 0.00 H new ATOM 639 N THR A 41 5.246 -8.781 1.088 1.00 0.00 N ATOM 640 CA THR A 41 6.603 -8.344 1.387 1.00 0.00 C ATOM 641 C THR A 41 6.857 -6.937 0.855 1.00 0.00 C ATOM 642 O THR A 41 7.555 -6.144 1.486 1.00 0.00 O ATOM 643 CB THR A 41 7.647 -9.304 0.786 1.00 0.00 C ATOM 644 OG1 THR A 41 7.425 -10.633 1.267 1.00 0.00 O ATOM 645 CG2 THR A 41 9.058 -8.859 1.140 1.00 0.00 C ATOM 0 H THR A 41 5.158 -9.778 0.889 1.00 0.00 H new ATOM 0 HA THR A 41 6.703 -8.343 2.472 1.00 0.00 H new ATOM 0 HB THR A 41 7.540 -9.289 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.092 -11.237 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.778 -9.552 0.705 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.234 -7.858 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.175 -8.848 2.224 1.00 0.00 H new ATOM 653 N GLU A 42 6.286 -6.637 -0.307 1.00 0.00 N ATOM 654 CA GLU A 42 6.453 -5.325 -0.922 1.00 0.00 C ATOM 655 C GLU A 42 5.508 -4.305 -0.292 1.00 0.00 C ATOM 656 O GLU A 42 5.941 -3.266 0.207 1.00 0.00 O ATOM 657 CB GLU A 42 6.201 -5.408 -2.428 1.00 0.00 C ATOM 658 CG GLU A 42 6.919 -4.332 -3.227 1.00 0.00 C ATOM 659 CD GLU A 42 6.296 -2.961 -3.047 1.00 0.00 C ATOM 660 OE1 GLU A 42 5.163 -2.756 -3.529 1.00 0.00 O ATOM 661 OE2 GLU A 42 6.945 -2.092 -2.426 1.00 0.00 O ATOM 0 H GLU A 42 5.705 -7.283 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 42 7.479 -4.999 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.518 -6.387 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.130 -5.332 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.965 -4.295 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.904 -4.598 -4.284 1.00 0.00 H new ATOM 668 N LEU A 43 4.215 -4.610 -0.321 1.00 0.00 N ATOM 669 CA LEU A 43 3.207 -3.721 0.247 1.00 0.00 C ATOM 670 C LEU A 43 3.730 -3.037 1.505 1.00 0.00 C ATOM 671 O LEU A 43 3.532 -1.838 1.700 1.00 0.00 O ATOM 672 CB LEU A 43 1.933 -4.502 0.569 1.00 0.00 C ATOM 673 CG LEU A 43 1.036 -4.844 -0.621 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.079 -5.971 -0.262 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.265 -3.615 -1.080 1.00 0.00 C ATOM 0 H LEU A 43 3.840 -5.465 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 43 2.978 -2.953 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.216 -5.431 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.348 -3.925 1.285 1.00 0.00 H new ATOM 0 HG LEU A 43 1.669 -5.179 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.551 -6.201 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.649 -6.857 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.547 -5.664 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.368 -3.878 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.357 -3.249 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.966 -2.836 -1.379 1.00 0.00 H new ATOM 687 N GLN A 44 4.401 -3.807 2.355 1.00 0.00 N ATOM 688 CA GLN A 44 4.955 -3.275 3.595 1.00 0.00 C ATOM 689 C GLN A 44 5.943 -2.148 3.310 1.00 0.00 C ATOM 690 O GLN A 44 5.891 -1.090 3.936 1.00 0.00 O ATOM 691 CB GLN A 44 5.645 -4.385 4.389 1.00 0.00 C ATOM 692 CG GLN A 44 4.676 -5.363 5.034 1.00 0.00 C ATOM 693 CD GLN A 44 4.225 -6.452 4.082 1.00 0.00 C ATOM 694 OE1 GLN A 44 3.204 -6.321 3.407 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.987 -7.539 4.022 1.00 0.00 N ATOM 0 H GLN A 44 4.574 -4.801 2.208 1.00 0.00 H new ATOM 0 HA GLN A 44 4.133 -2.873 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.314 -4.933 3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.264 -3.935 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.151 -5.819 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.804 -4.819 5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.825 -7.607 4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.734 -8.306 3.399 1.00 0.00 H new ATOM 704 N GLY A 45 6.844 -2.384 2.360 1.00 0.00 N ATOM 705 CA GLY A 45 7.832 -1.379 2.010 1.00 0.00 C ATOM 706 C GLY A 45 7.206 -0.033 1.703 1.00 0.00 C ATOM 707 O GLY A 45 7.466 0.953 2.394 1.00 0.00 O ATOM 0 H GLY A 45 6.907 -3.252 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.540 -1.268 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.400 -1.718 1.144 1.00 0.00 H new ATOM 711 N LEU A 46 6.381 0.010 0.663 1.00 0.00 N ATOM 712 CA LEU A 46 5.718 1.247 0.264 1.00 0.00 C ATOM 713 C LEU A 46 5.355 2.088 1.483 1.00 0.00 C ATOM 714 O LEU A 46 5.809 3.225 1.623 1.00 0.00 O ATOM 715 CB LEU A 46 4.458 0.935 -0.547 1.00 0.00 C ATOM 716 CG LEU A 46 4.670 0.141 -1.836 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.441 -0.696 -2.156 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.996 1.076 -2.992 1.00 0.00 C ATOM 0 H LEU A 46 6.155 -0.797 0.081 1.00 0.00 H new ATOM 0 HA LEU A 46 6.410 1.817 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.769 0.380 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.970 1.876 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 46 5.515 -0.532 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.611 -1.254 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.252 -1.392 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.578 -0.042 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.144 0.493 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.172 1.774 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.906 1.631 -2.765 1.00 0.00 H new ATOM 730 N ILE A 47 4.537 1.523 2.365 1.00 0.00 N ATOM 731 CA ILE A 47 4.117 2.220 3.573 1.00 0.00 C ATOM 732 C ILE A 47 5.236 3.104 4.114 1.00 0.00 C ATOM 733 O ILE A 47 5.046 4.301 4.330 1.00 0.00 O ATOM 734 CB ILE A 47 3.684 1.230 4.671 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.425 0.475 4.240 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.443 1.966 5.982 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.909 -0.488 5.287 1.00 0.00 C ATOM 0 H ILE A 47 4.152 0.584 2.265 1.00 0.00 H new ATOM 0 HA ILE A 47 3.265 2.843 3.299 1.00 0.00 H new ATOM 0 HB ILE A 47 4.485 0.506 4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.642 1.196 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.638 -0.076 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.138 1.254 6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.361 2.463 6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.657 2.709 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.015 -0.988 4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.675 -1.231 5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.664 0.060 6.197 1.00 0.00 H new ATOM 749 N GLY A 48 6.403 2.507 4.330 1.00 0.00 N ATOM 750 CA GLY A 48 7.536 3.255 4.842 1.00 0.00 C ATOM 751 C GLY A 48 7.590 4.670 4.300 1.00 0.00 C ATOM 752 O GLY A 48 7.729 5.628 5.060 1.00 0.00 O ATOM 0 H GLY A 48 6.585 1.518 4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.484 3.288 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.458 2.735 4.583 1.00 0.00 H new ATOM 756 N GLN A 49 7.480 4.801 2.982 1.00 0.00 N ATOM 757 CA GLN A 49 7.520 6.109 2.338 1.00 0.00 C ATOM 758 C GLN A 49 6.611 7.098 3.060 1.00 0.00 C ATOM 759 O GLN A 49 6.985 8.249 3.287 1.00 0.00 O ATOM 760 CB GLN A 49 7.102 5.992 0.871 1.00 0.00 C ATOM 761 CG GLN A 49 8.080 5.195 0.023 1.00 0.00 C ATOM 762 CD GLN A 49 7.722 5.212 -1.451 1.00 0.00 C ATOM 763 OE1 GLN A 49 6.738 5.831 -1.855 1.00 0.00 O ATOM 764 NE2 GLN A 49 8.522 4.531 -2.262 1.00 0.00 N ATOM 0 H GLN A 49 7.363 4.018 2.339 1.00 0.00 H new ATOM 0 HA GLN A 49 8.544 6.480 2.388 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.120 5.522 0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.000 6.992 0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.083 5.600 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.104 4.164 0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.327 4.032 -1.883 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.332 4.507 -3.264 1.00 0.00 H new ATOM 773 N LEU A 50 5.416 6.642 3.420 1.00 0.00 N ATOM 774 CA LEU A 50 4.452 7.487 4.117 1.00 0.00 C ATOM 775 C LEU A 50 5.079 8.119 5.355 1.00 0.00 C ATOM 776 O LEU A 50 5.049 9.339 5.525 1.00 0.00 O ATOM 777 CB LEU A 50 3.221 6.671 4.514 1.00 0.00 C ATOM 778 CG LEU A 50 2.376 6.128 3.362 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.306 5.181 3.885 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.743 7.271 2.580 1.00 0.00 C ATOM 0 H LEU A 50 5.091 5.692 3.241 1.00 0.00 H new ATOM 0 HA LEU A 50 4.147 8.284 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.549 5.830 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.585 7.293 5.143 1.00 0.00 H new ATOM 0 HG LEU A 50 3.028 5.571 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.714 4.804 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.780 4.345 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.656 5.714 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.145 6.866 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.104 7.855 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.526 7.911 2.173 1.00 0.00 H new ATOM 792 N ASP A 51 5.647 7.283 6.217 1.00 0.00 N ATOM 793 CA ASP A 51 6.284 7.761 7.439 1.00 0.00 C ATOM 794 C ASP A 51 7.044 9.059 7.185 1.00 0.00 C ATOM 795 O ASP A 51 6.728 10.098 7.762 1.00 0.00 O ATOM 796 CB ASP A 51 7.235 6.698 7.992 1.00 0.00 C ATOM 797 CG ASP A 51 6.500 5.579 8.706 1.00 0.00 C ATOM 798 OD1 ASP A 51 5.664 4.915 8.060 1.00 0.00 O ATOM 799 OD2 ASP A 51 6.761 5.370 9.909 1.00 0.00 O ATOM 0 H ASP A 51 5.679 6.271 6.092 1.00 0.00 H new ATOM 0 HA ASP A 51 5.503 7.957 8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.822 6.280 7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.937 7.166 8.682 1.00 0.00 H new ATOM 804 N GLU A 52 8.049 8.990 6.316 1.00 0.00 N ATOM 805 CA GLU A 52 8.855 10.159 5.986 1.00 0.00 C ATOM 806 C GLU A 52 7.986 11.411 5.895 1.00 0.00 C ATOM 807 O GLU A 52 8.289 12.435 6.505 1.00 0.00 O ATOM 808 CB GLU A 52 9.594 9.941 4.665 1.00 0.00 C ATOM 809 CG GLU A 52 10.816 9.045 4.791 1.00 0.00 C ATOM 810 CD GLU A 52 10.457 7.573 4.847 1.00 0.00 C ATOM 811 OE1 GLU A 52 9.943 7.127 5.895 1.00 0.00 O ATOM 812 OE2 GLU A 52 10.688 6.867 3.844 1.00 0.00 O ATOM 0 H GLU A 52 8.324 8.137 5.829 1.00 0.00 H new ATOM 0 HA GLU A 52 9.585 10.301 6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.906 9.503 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.902 10.908 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.480 9.221 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.368 9.315 5.691 1.00 0.00 H new ATOM 819 N VAL A 53 6.905 11.318 5.128 1.00 0.00 N ATOM 820 CA VAL A 53 5.991 12.441 4.956 1.00 0.00 C ATOM 821 C VAL A 53 5.162 12.673 6.214 1.00 0.00 C ATOM 822 O VAL A 53 4.553 11.746 6.747 1.00 0.00 O ATOM 823 CB VAL A 53 5.043 12.217 3.763 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.048 13.362 3.649 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.837 12.058 2.475 1.00 0.00 C ATOM 0 H VAL A 53 6.640 10.477 4.616 1.00 0.00 H new ATOM 0 HA VAL A 53 6.605 13.321 4.762 1.00 0.00 H new ATOM 0 HB VAL A 53 4.483 11.297 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.387 13.186 2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.457 13.423 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.586 14.298 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.152 11.901 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.424 12.959 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.505 11.201 2.563 1.00 0.00 H new ATOM 941 N ILE A 61 -2.425 17.267 3.378 1.00 0.00 N ATOM 942 CA ILE A 61 -1.271 16.395 3.561 1.00 0.00 C ATOM 943 C ILE A 61 -1.461 15.477 4.766 1.00 0.00 C ATOM 944 O ILE A 61 -1.055 14.315 4.743 1.00 0.00 O ATOM 945 CB ILE A 61 0.024 17.206 3.749 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.159 18.256 2.643 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.233 16.281 3.758 1.00 0.00 C ATOM 948 CD1 ILE A 61 0.803 17.725 1.382 1.00 0.00 C ATOM 0 HA ILE A 61 -1.185 15.793 2.657 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.023 17.720 4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.830 18.646 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.748 19.093 3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.141 16.870 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.139 15.568 4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.286 15.742 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.866 18.523 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.805 17.362 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.203 16.907 0.983 1.00 0.00 H new ATOM 960 N ARG A 62 -2.083 16.008 5.814 1.00 0.00 N ATOM 961 CA ARG A 62 -2.328 15.236 7.026 1.00 0.00 C ATOM 962 C ARG A 62 -3.493 14.270 6.830 1.00 0.00 C ATOM 963 O ARG A 62 -3.815 13.484 7.719 1.00 0.00 O ATOM 964 CB ARG A 62 -2.620 16.172 8.201 1.00 0.00 C ATOM 965 CG ARG A 62 -4.089 16.541 8.334 1.00 0.00 C ATOM 966 CD ARG A 62 -4.358 17.299 9.624 1.00 0.00 C ATOM 967 NE ARG A 62 -4.650 16.399 10.737 1.00 0.00 N ATOM 968 CZ ARG A 62 -5.763 15.678 10.828 1.00 0.00 C ATOM 969 NH1 ARG A 62 -6.683 15.752 9.876 1.00 0.00 N ATOM 970 NH2 ARG A 62 -5.956 14.882 11.871 1.00 0.00 N ATOM 0 H ARG A 62 -2.426 16.968 5.848 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.431 14.656 7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.288 15.697 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.034 17.084 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.391 17.151 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.696 15.636 8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.492 17.912 9.871 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.198 17.978 9.477 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.962 16.319 11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.537 16.363 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.536 15.198 9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.250 14.822 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.811 14.329 11.940 1.00 0.00 H new ATOM 984 N GLU A 63 -4.118 14.336 5.659 1.00 0.00 N ATOM 985 CA GLU A 63 -5.247 13.466 5.348 1.00 0.00 C ATOM 986 C GLU A 63 -4.843 12.388 4.346 1.00 0.00 C ATOM 987 O GLU A 63 -5.200 11.220 4.498 1.00 0.00 O ATOM 988 CB GLU A 63 -6.412 14.287 4.789 1.00 0.00 C ATOM 989 CG GLU A 63 -7.306 14.885 5.862 1.00 0.00 C ATOM 990 CD GLU A 63 -8.317 13.891 6.399 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.021 13.262 5.582 1.00 0.00 O ATOM 992 OE2 GLU A 63 -8.404 13.741 7.636 1.00 0.00 O ATOM 0 H GLU A 63 -3.863 14.981 4.911 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.564 12.980 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.014 15.091 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.014 13.652 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.688 15.249 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.832 15.747 5.452 1.00 0.00 H new ATOM 999 N ALA A 64 -4.098 12.790 3.322 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.644 11.859 2.296 1.00 0.00 C ATOM 1001 C ALA A 64 -2.721 10.798 2.886 1.00 0.00 C ATOM 1002 O ALA A 64 -2.892 9.605 2.639 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.942 12.610 1.175 1.00 0.00 C ATOM 0 H ALA A 64 -3.796 13.754 3.181 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.519 11.353 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.608 11.902 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.633 13.324 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.081 13.143 1.578 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.740 11.243 3.666 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.789 10.332 4.290 1.00 0.00 C ATOM 1011 C ARG A 65 -1.511 9.178 4.978 1.00 0.00 C ATOM 1012 O ARG A 65 -1.227 8.009 4.715 1.00 0.00 O ATOM 1013 CB ARG A 65 0.079 11.082 5.303 1.00 0.00 C ATOM 1014 CG ARG A 65 1.003 10.178 6.101 1.00 0.00 C ATOM 1015 CD ARG A 65 1.492 10.859 7.369 1.00 0.00 C ATOM 1016 NE ARG A 65 1.757 9.902 8.439 1.00 0.00 N ATOM 1017 CZ ARG A 65 2.085 10.254 9.677 1.00 0.00 C ATOM 1018 NH1 ARG A 65 2.186 11.536 10.000 1.00 0.00 N ATOM 1019 NH2 ARG A 65 2.312 9.323 10.596 1.00 0.00 N ATOM 0 H ARG A 65 -1.584 12.228 3.880 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.150 9.922 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.678 11.825 4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.568 11.625 5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.479 9.258 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.857 9.896 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.401 11.420 7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.746 11.579 7.704 1.00 0.00 H new ATOM 0 HE ARG A 65 1.686 8.907 8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.012 12.254 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.438 11.804 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.235 8.336 10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.564 9.595 11.546 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.445 9.514 5.862 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.207 8.506 6.589 1.00 0.00 C ATOM 1035 C ARG A 66 -3.982 7.612 5.627 1.00 0.00 C ATOM 1036 O ARG A 66 -3.784 6.397 5.596 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.171 9.174 7.571 1.00 0.00 C ATOM 1038 CG ARG A 66 -4.675 8.242 8.660 1.00 0.00 C ATOM 1039 CD ARG A 66 -3.736 8.224 9.856 1.00 0.00 C ATOM 1040 NE ARG A 66 -2.684 7.221 9.711 1.00 0.00 N ATOM 1041 CZ ARG A 66 -1.940 6.785 10.721 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -2.132 7.260 11.944 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -1.002 5.870 10.509 1.00 0.00 N ATOM 0 H ARG A 66 -2.692 10.477 6.092 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.504 7.887 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.672 10.025 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.024 9.568 7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.668 8.558 8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.775 7.233 8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.284 9.208 9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.307 8.022 10.762 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.511 6.834 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.853 7.962 12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.559 6.923 12.718 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.852 5.501 9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.431 5.536 11.285 1.00 0.00 H new ATOM 1057 N ARG A 67 -4.867 8.221 4.844 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.673 7.479 3.882 1.00 0.00 C ATOM 1059 C ARG A 67 -4.871 6.339 3.263 1.00 0.00 C ATOM 1060 O ARG A 67 -5.330 5.198 3.215 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.182 8.414 2.783 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.477 7.948 2.137 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.671 8.570 0.764 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.009 8.325 0.235 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.571 9.060 -0.718 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -8.911 10.083 -1.244 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -10.792 8.772 -1.147 1.00 0.00 N ATOM 0 H ARG A 67 -5.044 9.225 4.857 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.525 7.054 4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.333 9.408 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.415 8.508 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.470 6.862 2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.319 8.209 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.497 9.644 0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.929 8.166 0.075 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.543 7.545 0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.971 10.306 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.343 10.647 -1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.301 7.985 -0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.222 9.338 -1.879 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.670 6.656 2.791 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.802 5.658 2.176 1.00 0.00 C ATOM 1083 C ALA A 68 -2.514 4.514 3.141 1.00 0.00 C ATOM 1084 O ALA A 68 -2.645 3.341 2.788 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.505 6.300 1.713 1.00 0.00 C ATOM 0 H ALA A 68 -3.275 7.596 2.822 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.319 5.246 1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.867 5.543 1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.725 7.078 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.991 6.740 2.568 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.118 4.860 4.363 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.810 3.862 5.379 1.00 0.00 C ATOM 1093 C VAL A 69 -2.902 2.801 5.456 1.00 0.00 C ATOM 1094 O VAL A 69 -2.626 1.629 5.717 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.640 4.508 6.767 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.477 3.439 7.838 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.456 5.462 6.769 1.00 0.00 C ATOM 0 H VAL A 69 -2.003 5.825 4.672 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.871 3.393 5.087 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.539 5.081 6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.358 3.915 8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.360 2.800 7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.596 2.836 7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.351 5.909 7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.453 4.914 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.620 6.247 6.031 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.142 3.217 5.225 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.275 2.302 5.266 1.00 0.00 C ATOM 1109 C ILE A 70 -5.509 1.655 3.905 1.00 0.00 C ATOM 1110 O ILE A 70 -6.015 0.537 3.818 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.564 3.021 5.708 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.339 3.752 7.033 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.709 2.027 5.834 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -5.854 5.175 6.863 1.00 0.00 C ATOM 0 H ILE A 70 -4.388 4.183 5.007 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.030 1.530 5.996 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.829 3.757 4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.271 3.759 7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.612 3.197 7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.612 2.550 6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.883 1.548 4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.453 1.270 6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.716 5.632 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.905 5.174 6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.591 5.745 6.297 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.134 2.366 2.846 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.302 1.859 1.489 1.00 0.00 C ATOM 1128 C GLU A 71 -4.288 0.759 1.190 1.00 0.00 C ATOM 1129 O GLU A 71 -4.430 0.016 0.218 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.153 2.995 0.475 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.365 3.908 0.399 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.590 3.205 -0.154 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.510 2.676 -1.282 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -8.628 3.186 0.539 1.00 0.00 O ATOM 0 H GLU A 71 -4.713 3.293 2.901 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.304 1.437 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.277 3.589 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.968 2.568 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.589 4.292 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.129 4.767 -0.229 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.265 0.660 2.032 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.226 -0.349 1.860 1.00 0.00 C ATOM 1143 C VAL A 72 -2.353 -1.451 2.905 1.00 0.00 C ATOM 1144 O VAL A 72 -2.081 -2.619 2.626 1.00 0.00 O ATOM 1145 CB VAL A 72 -0.820 0.271 1.951 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.248 -0.794 1.755 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.663 1.388 0.930 1.00 0.00 C ATOM 0 H VAL A 72 -3.133 1.267 2.841 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.361 -0.777 0.867 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.695 0.698 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.235 -0.336 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.148 -1.556 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.128 -1.254 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.337 1.815 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.809 0.987 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.405 2.163 1.122 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.768 -1.073 4.110 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.929 -2.030 5.197 1.00 0.00 C ATOM 1159 C GLN A 73 -4.053 -3.016 4.893 1.00 0.00 C ATOM 1160 O GLN A 73 -3.957 -4.201 5.210 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.219 -1.300 6.509 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.967 -0.920 7.284 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.409 -2.076 8.092 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -2.131 -3.009 8.443 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -0.117 -2.019 8.391 1.00 0.00 N ATOM 0 H GLN A 73 -2.999 -0.111 4.357 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.997 -2.587 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.791 -0.397 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.846 -1.933 7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.206 -0.567 6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.196 -0.091 7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.444 -1.226 8.079 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.315 -2.768 8.932 1.00 0.00 H new ATOM 1174 N THR A 74 -5.119 -2.517 4.273 1.00 0.00 N ATOM 1175 CA THR A 74 -6.261 -3.354 3.927 1.00 0.00 C ATOM 1176 C THR A 74 -5.816 -4.621 3.205 1.00 0.00 C ATOM 1177 O THR A 74 -6.324 -5.711 3.473 1.00 0.00 O ATOM 1178 CB THR A 74 -7.264 -2.595 3.036 1.00 0.00 C ATOM 1179 OG1 THR A 74 -8.503 -3.307 2.977 1.00 0.00 O ATOM 1180 CG2 THR A 74 -6.709 -2.412 1.632 1.00 0.00 C ATOM 0 H THR A 74 -5.215 -1.539 4.001 1.00 0.00 H new ATOM 0 HA THR A 74 -6.749 -3.625 4.863 1.00 0.00 H new ATOM 0 HB THR A 74 -7.433 -1.611 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.135 -2.817 2.410 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.434 -1.874 1.021 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.781 -1.843 1.679 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.514 -3.388 1.188 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.866 -4.472 2.290 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.352 -5.606 1.529 1.00 0.00 C ATOM 1190 C LEU A 75 -3.510 -6.518 2.415 1.00 0.00 C ATOM 1191 O LEU A 75 -3.698 -7.735 2.425 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.517 -5.114 0.345 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.233 -4.196 -0.646 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.229 -3.506 -1.556 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -5.246 -4.982 -1.465 1.00 0.00 C ATOM 0 H LEU A 75 -4.435 -3.577 2.056 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.202 -6.177 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.646 -4.586 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.146 -5.983 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.767 -3.431 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.757 -2.857 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.543 -2.910 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.667 -4.256 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.746 -4.313 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.734 -5.769 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.985 -5.428 -0.799 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.584 -5.923 3.159 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.716 -6.683 4.050 1.00 0.00 C ATOM 1209 C ILE A 76 -2.520 -7.667 4.892 1.00 0.00 C ATOM 1210 O ILE A 76 -2.029 -8.737 5.254 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.919 -5.755 4.986 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.061 -4.786 4.171 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.053 -6.573 5.931 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.543 -3.671 4.996 1.00 0.00 C ATOM 0 H ILE A 76 -2.415 -4.917 3.163 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.019 -7.234 3.418 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.623 -5.173 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.741 -5.343 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.671 -4.351 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.504 -5.903 6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.686 -7.225 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.645 -7.178 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.138 -3.023 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.253 -3.089 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.180 -4.096 5.771 1.00 0.00 H new ATOM 1226 N THR A 77 -3.761 -7.300 5.198 1.00 0.00 N ATOM 1227 CA THR A 77 -4.633 -8.152 5.997 1.00 0.00 C ATOM 1228 C THR A 77 -5.401 -9.132 5.117 1.00 0.00 C ATOM 1229 O THR A 77 -5.396 -10.338 5.364 1.00 0.00 O ATOM 1230 CB THR A 77 -5.639 -7.316 6.813 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.942 -6.502 7.763 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.628 -8.217 7.537 1.00 0.00 C ATOM 0 H THR A 77 -4.184 -6.419 4.905 1.00 0.00 H new ATOM 0 HA THR A 77 -3.992 -8.708 6.681 1.00 0.00 H new ATOM 0 HB THR A 77 -6.191 -6.677 6.124 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.588 -5.973 8.276 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.328 -7.605 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.177 -8.814 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.089 -8.878 8.216 1.00 0.00 H new ATOM 1240 N TYR A 78 -6.058 -8.607 4.089 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.832 -9.436 3.173 1.00 0.00 C ATOM 1242 C TYR A 78 -6.082 -10.720 2.833 1.00 0.00 C ATOM 1243 O TYR A 78 -6.678 -11.793 2.731 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.146 -8.662 1.892 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.335 -9.546 0.680 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.356 -10.488 0.636 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.494 -9.439 -0.421 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.532 -11.299 -0.468 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.664 -10.245 -1.530 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.684 -11.173 -1.549 1.00 0.00 C ATOM 1251 OH TYR A 78 -7.857 -11.978 -2.652 1.00 0.00 O ATOM 0 H TYR A 78 -6.070 -7.611 3.869 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.766 -9.702 3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.050 -8.073 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.337 -7.958 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.023 -10.588 1.479 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.694 -8.714 -0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.329 -12.028 -0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.002 -10.149 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.178 -11.762 -3.325 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.770 -10.602 2.661 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.935 -11.752 2.336 1.00 0.00 C ATOM 1263 C ILE A 79 -3.871 -12.732 3.502 1.00 0.00 C ATOM 1264 O ILE A 79 -4.199 -13.911 3.355 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.504 -11.323 1.962 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.525 -10.423 0.725 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.631 -12.544 1.721 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.233 -9.666 0.506 1.00 0.00 C ATOM 0 H ILE A 79 -4.262 -9.721 2.741 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.394 -12.241 1.477 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.081 -10.757 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.733 -11.033 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.343 -9.709 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.623 -12.224 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.595 -13.150 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.049 -13.135 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.320 -9.049 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.033 -9.030 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.414 -10.374 0.380 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.450 -12.239 4.660 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.346 -13.070 5.853 1.00 0.00 C ATOM 1282 C ASP A 80 -4.484 -14.084 5.910 1.00 0.00 C ATOM 1283 O ASP A 80 -4.269 -15.260 6.208 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.358 -12.200 7.111 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.782 -12.916 8.316 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -1.544 -13.070 8.381 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.570 -13.322 9.196 1.00 0.00 O ATOM 0 H ASP A 80 -3.175 -11.267 4.799 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.402 -13.612 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.787 -11.290 6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.382 -11.895 7.328 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.696 -13.622 5.624 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.871 -14.487 5.643 1.00 0.00 C ATOM 1294 C LEU A 81 -6.749 -15.593 4.599 1.00 0.00 C ATOM 1295 O LEU A 81 -6.828 -16.778 4.922 1.00 0.00 O ATOM 1296 CB LEU A 81 -8.137 -13.668 5.389 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.686 -12.892 6.587 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -7.940 -11.580 6.763 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -10.179 -12.641 6.421 1.00 0.00 C ATOM 0 H LEU A 81 -5.891 -12.652 5.376 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.936 -14.948 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.933 -12.960 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.915 -14.341 5.030 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.536 -13.493 7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.346 -11.043 7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.882 -11.783 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.057 -10.972 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.553 -12.088 7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.352 -12.061 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.702 -13.594 6.347 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.553 -15.198 3.346 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.416 -16.154 2.255 1.00 0.00 C ATOM 1313 C LYS A 82 -5.253 -17.109 2.510 1.00 0.00 C ATOM 1314 O LYS A 82 -5.447 -18.317 2.633 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.204 -15.419 0.928 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.474 -14.802 0.366 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.347 -15.846 -0.313 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.782 -15.361 -0.460 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.694 -16.455 -0.895 1.00 0.00 N ATOM 0 H LYS A 82 -6.485 -14.221 3.061 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.336 -16.736 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.461 -14.634 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.794 -16.116 0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.034 -14.324 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.215 -14.022 -0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.938 -16.080 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.331 -16.769 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.128 -14.956 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.818 -14.548 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.662 -16.085 -0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.379 -16.825 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.679 -17.220 -0.191 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.047 -16.556 2.588 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.854 -17.360 2.830 1.00 0.00 C ATOM 1335 C GLU A 83 -3.154 -18.504 3.794 1.00 0.00 C ATOM 1336 O GLU A 83 -2.934 -19.671 3.475 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.729 -16.487 3.391 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.339 -16.977 3.024 1.00 0.00 C ATOM 1339 CD GLU A 83 0.222 -17.955 4.038 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.519 -18.870 4.452 1.00 0.00 O ATOM 1341 OE2 GLU A 83 1.403 -17.804 4.415 1.00 0.00 O ATOM 0 H GLU A 83 -3.870 -15.557 2.487 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.535 -17.785 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.854 -15.468 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.817 -16.449 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.373 -17.454 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.333 -16.123 2.939 1.00 0.00 H new