USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 9 SER OG : rot 92:sc= 0.563! USER MOD Set 1.2: A 26 SER OG : rot 160:sc= -1.65 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= 0.879 (180deg=0.791) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 141:sc= 0.313 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.158) USER MOD Single : A 52 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.012) USER MOD Single : A 53 ASN : amide:sc= -0.0694 K(o=-0.069,f=1) USER MOD Single : A 66 CYS SG : rot -73:sc= -5.05! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0742 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.194 1.340 4.270 1.00 0.00 N ATOM 79 CA SER A 9 -11.308 0.305 3.766 1.00 0.00 C ATOM 80 C SER A 9 -12.121 -0.918 3.338 1.00 0.00 C ATOM 81 O SER A 9 -13.343 -0.934 3.476 1.00 0.00 O ATOM 82 CB SER A 9 -10.269 -0.090 4.818 1.00 0.00 C ATOM 83 OG SER A 9 -9.669 -1.350 4.529 1.00 0.00 O ATOM 0 HA SER A 9 -10.777 0.701 2.900 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.496 0.676 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.743 -0.131 5.799 1.00 0.00 H new ATOM 0 HG SER A 9 -8.854 -1.211 4.002 1.00 0.00 H new ATOM 89 N LYS A 10 -11.410 -1.913 2.828 1.00 0.00 N ATOM 90 CA LYS A 10 -12.051 -3.137 2.379 1.00 0.00 C ATOM 91 C LYS A 10 -10.998 -4.239 2.244 1.00 0.00 C ATOM 92 O LYS A 10 -9.811 -3.953 2.099 1.00 0.00 O ATOM 93 CB LYS A 10 -12.847 -2.886 1.096 1.00 0.00 C ATOM 94 CG LYS A 10 -11.932 -2.399 -0.030 1.00 0.00 C ATOM 95 CD LYS A 10 -12.166 -3.201 -1.312 1.00 0.00 C ATOM 96 CE LYS A 10 -12.059 -2.304 -2.546 1.00 0.00 C ATOM 97 NZ LYS A 10 -12.853 -2.863 -3.663 1.00 0.00 N ATOM 0 H LYS A 10 -10.396 -1.896 2.716 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.778 -3.479 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.349 -3.804 0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.624 -2.145 1.285 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.114 -1.341 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.890 -2.493 0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.436 -4.007 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.151 -3.666 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.413 -1.302 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.015 -2.210 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.770 -2.242 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.497 -3.810 -3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.851 -2.930 -3.380 1.00 0.00 H new ATOM 111 N PRO A 11 -11.484 -5.508 2.298 1.00 0.00 N ATOM 112 CA PRO A 11 -10.598 -6.654 2.184 1.00 0.00 C ATOM 113 C PRO A 11 -10.143 -6.853 0.736 1.00 0.00 C ATOM 114 O PRO A 11 -10.935 -7.248 -0.118 1.00 0.00 O ATOM 115 CB PRO A 11 -11.402 -7.827 2.720 1.00 0.00 C ATOM 116 CG PRO A 11 -12.857 -7.389 2.681 1.00 0.00 C ATOM 117 CD PRO A 11 -12.885 -5.884 2.469 1.00 0.00 C ATOM 0 HA PRO A 11 -9.674 -6.530 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.246 -8.718 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.097 -8.078 3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.387 -7.898 1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.360 -7.653 3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.476 -5.618 1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.331 -5.372 3.322 1.00 0.00 H new ATOM 125 N ILE A 12 -8.869 -6.570 0.506 1.00 0.00 N ATOM 126 CA ILE A 12 -8.299 -6.713 -0.823 1.00 0.00 C ATOM 127 C ILE A 12 -7.424 -7.966 -0.865 1.00 0.00 C ATOM 128 O ILE A 12 -7.100 -8.538 0.175 1.00 0.00 O ATOM 129 CB ILE A 12 -7.564 -5.434 -1.230 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.378 -5.164 -0.302 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.525 -4.245 -1.294 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.481 -4.060 -0.865 1.00 0.00 C ATOM 0 H ILE A 12 -8.216 -6.242 1.217 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.087 -6.850 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.162 -5.576 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.742 -4.874 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.798 -6.078 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.977 -3.349 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.306 -4.447 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.978 -4.090 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.646 -3.888 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.099 -4.363 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.058 -3.141 -0.971 1.00 0.00 H new ATOM 144 N LYS A 13 -7.064 -8.357 -2.079 1.00 0.00 N ATOM 145 CA LYS A 13 -6.232 -9.533 -2.271 1.00 0.00 C ATOM 146 C LYS A 13 -4.909 -9.116 -2.916 1.00 0.00 C ATOM 147 O LYS A 13 -4.899 -8.388 -3.907 1.00 0.00 O ATOM 148 CB LYS A 13 -6.990 -10.603 -3.059 1.00 0.00 C ATOM 149 CG LYS A 13 -7.453 -11.736 -2.140 1.00 0.00 C ATOM 150 CD LYS A 13 -6.437 -12.880 -2.126 1.00 0.00 C ATOM 151 CE LYS A 13 -7.115 -14.210 -1.789 1.00 0.00 C ATOM 152 NZ LYS A 13 -6.429 -14.868 -0.654 1.00 0.00 N ATOM 0 H LYS A 13 -7.333 -7.880 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.990 -9.989 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.852 -10.154 -3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.348 -11.005 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.591 -11.355 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.421 -12.109 -2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.951 -12.952 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.657 -12.670 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.162 -14.038 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.099 -14.864 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.776 -15.844 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.404 -14.881 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.624 -14.342 0.222 1.00 0.00 H new ATOM 166 N VAL A 14 -3.823 -9.595 -2.327 1.00 0.00 N ATOM 167 CA VAL A 14 -2.497 -9.282 -2.832 1.00 0.00 C ATOM 168 C VAL A 14 -1.736 -10.582 -3.098 1.00 0.00 C ATOM 169 O VAL A 14 -1.563 -11.400 -2.195 1.00 0.00 O ATOM 170 CB VAL A 14 -1.772 -8.353 -1.856 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.279 -8.272 -2.183 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.408 -6.962 -1.846 1.00 0.00 C ATOM 0 H VAL A 14 -3.834 -10.198 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.566 -8.747 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.874 -8.774 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.213 -7.605 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.163 -9.266 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.148 -7.887 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.873 -6.322 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.353 -6.530 -2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.452 -7.041 -1.542 1.00 0.00 H new ATOM 182 N THR A 15 -1.302 -10.733 -4.340 1.00 0.00 N ATOM 183 CA THR A 15 -0.564 -11.920 -4.736 1.00 0.00 C ATOM 184 C THR A 15 0.942 -11.669 -4.639 1.00 0.00 C ATOM 185 O THR A 15 1.443 -10.669 -5.152 1.00 0.00 O ATOM 186 CB THR A 15 -1.024 -12.316 -6.140 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.345 -12.814 -5.945 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.251 -13.516 -6.693 1.00 0.00 C ATOM 0 H THR A 15 -1.447 -10.053 -5.086 1.00 0.00 H new ATOM 0 HA THR A 15 -0.767 -12.754 -4.064 1.00 0.00 H new ATOM 0 HB THR A 15 -0.906 -11.467 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.720 -13.092 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.617 -13.756 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.810 -13.273 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.396 -14.375 -6.038 1.00 0.00 H new ATOM 196 N LEU A 16 1.623 -12.593 -3.977 1.00 0.00 N ATOM 197 CA LEU A 16 3.061 -12.484 -3.805 1.00 0.00 C ATOM 198 C LEU A 16 3.744 -12.613 -5.168 1.00 0.00 C ATOM 199 O LEU A 16 3.150 -13.121 -6.118 1.00 0.00 O ATOM 200 CB LEU A 16 3.556 -13.498 -2.771 1.00 0.00 C ATOM 201 CG LEU A 16 3.051 -13.297 -1.341 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.429 -14.486 -0.454 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.548 -11.971 -0.764 1.00 0.00 C ATOM 0 H LEU A 16 1.205 -13.421 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 16 3.324 -11.504 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.265 -14.495 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.646 -13.471 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 16 1.962 -13.248 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.058 -14.318 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.985 -15.396 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.514 -14.592 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.174 -11.854 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.638 -11.965 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.187 -11.148 -1.380 1.00 0.00 H new ATOM 215 N PRO A 17 5.015 -12.133 -5.222 1.00 0.00 N ATOM 216 CA PRO A 17 5.785 -12.190 -6.453 1.00 0.00 C ATOM 217 C PRO A 17 6.275 -13.613 -6.729 1.00 0.00 C ATOM 218 O PRO A 17 6.973 -13.854 -7.712 1.00 0.00 O ATOM 219 CB PRO A 17 6.921 -11.200 -6.253 1.00 0.00 C ATOM 220 CG PRO A 17 7.015 -10.971 -4.753 1.00 0.00 C ATOM 221 CD PRO A 17 5.751 -11.526 -4.117 1.00 0.00 C ATOM 0 HA PRO A 17 5.194 -11.927 -7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.857 -11.595 -6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.722 -10.266 -6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.896 -11.466 -4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.117 -9.908 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.985 -12.261 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.169 -10.738 -3.639 1.00 0.00 H new ATOM 229 N ASP A 18 5.888 -14.520 -5.843 1.00 0.00 N ATOM 230 CA ASP A 18 6.278 -15.912 -5.978 1.00 0.00 C ATOM 231 C ASP A 18 5.091 -16.721 -6.505 1.00 0.00 C ATOM 232 O ASP A 18 5.253 -17.867 -6.922 1.00 0.00 O ATOM 233 CB ASP A 18 6.691 -16.503 -4.628 1.00 0.00 C ATOM 234 CG ASP A 18 7.096 -17.978 -4.664 1.00 0.00 C ATOM 235 OD1 ASP A 18 7.866 -18.332 -5.582 1.00 0.00 O ATOM 236 OD2 ASP A 18 6.626 -18.717 -3.772 1.00 0.00 O ATOM 0 H ASP A 18 5.308 -14.317 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 18 7.122 -15.960 -6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.525 -15.922 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.863 -16.386 -3.929 1.00 0.00 H new ATOM 241 N GLY A 19 3.925 -16.093 -6.469 1.00 0.00 N ATOM 242 CA GLY A 19 2.712 -16.740 -6.937 1.00 0.00 C ATOM 243 C GLY A 19 1.696 -16.888 -5.803 1.00 0.00 C ATOM 244 O GLY A 19 0.489 -16.840 -6.035 1.00 0.00 O ATOM 0 H GLY A 19 3.795 -15.142 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.275 -16.157 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.953 -17.722 -7.344 1.00 0.00 H new ATOM 248 N LYS A 20 2.222 -17.064 -4.600 1.00 0.00 N ATOM 249 CA LYS A 20 1.376 -17.218 -3.428 1.00 0.00 C ATOM 250 C LYS A 20 0.421 -16.027 -3.334 1.00 0.00 C ATOM 251 O LYS A 20 0.664 -14.982 -3.936 1.00 0.00 O ATOM 252 CB LYS A 20 2.228 -17.424 -2.175 1.00 0.00 C ATOM 253 CG LYS A 20 1.957 -18.792 -1.546 1.00 0.00 C ATOM 254 CD LYS A 20 0.870 -18.697 -0.474 1.00 0.00 C ATOM 255 CE LYS A 20 1.241 -19.523 0.760 1.00 0.00 C ATOM 256 NZ LYS A 20 0.805 -20.927 0.594 1.00 0.00 N ATOM 0 H LYS A 20 3.224 -17.103 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 20 0.761 -18.114 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.284 -17.341 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.013 -16.638 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.650 -19.497 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.875 -19.182 -1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.726 -17.655 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.078 -19.050 -0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.319 -19.487 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.774 -19.093 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.064 -21.473 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.227 -20.957 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.270 -21.339 -0.240 1.00 0.00 H new ATOM 270 N GLN A 21 -0.646 -16.224 -2.573 1.00 0.00 N ATOM 271 CA GLN A 21 -1.639 -15.178 -2.391 1.00 0.00 C ATOM 272 C GLN A 21 -1.783 -14.835 -0.907 1.00 0.00 C ATOM 273 O GLN A 21 -1.568 -15.687 -0.046 1.00 0.00 O ATOM 274 CB GLN A 21 -2.984 -15.590 -2.993 1.00 0.00 C ATOM 275 CG GLN A 21 -2.840 -15.932 -4.477 1.00 0.00 C ATOM 276 CD GLN A 21 -4.185 -16.343 -5.078 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.655 -17.457 -4.910 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.777 -15.386 -5.786 1.00 0.00 N ATOM 0 H GLN A 21 -0.845 -17.092 -2.075 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.300 -14.286 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.379 -16.452 -2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.704 -14.781 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.445 -15.071 -5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.121 -16.742 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.329 -14.475 -5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.679 -15.563 -6.228 1.00 0.00 H new ATOM 287 N VAL A 22 -2.148 -13.587 -0.654 1.00 0.00 N ATOM 288 CA VAL A 22 -2.323 -13.121 0.711 1.00 0.00 C ATOM 289 C VAL A 22 -3.539 -12.194 0.776 1.00 0.00 C ATOM 290 O VAL A 22 -4.022 -11.724 -0.253 1.00 0.00 O ATOM 291 CB VAL A 22 -1.037 -12.456 1.207 1.00 0.00 C ATOM 292 CG1 VAL A 22 -1.060 -12.286 2.727 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.195 -13.247 0.762 1.00 0.00 C ATOM 0 H VAL A 22 -2.327 -12.884 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.517 -13.960 1.379 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.978 -11.464 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.135 -11.811 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.908 -11.662 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.154 -13.263 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.096 -12.754 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.145 -14.257 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.223 -13.294 -0.327 1.00 0.00 H new ATOM 303 N ASP A 23 -3.998 -11.958 1.997 1.00 0.00 N ATOM 304 CA ASP A 23 -5.148 -11.095 2.210 1.00 0.00 C ATOM 305 C ASP A 23 -4.673 -9.743 2.746 1.00 0.00 C ATOM 306 O ASP A 23 -3.865 -9.688 3.672 1.00 0.00 O ATOM 307 CB ASP A 23 -6.108 -11.700 3.235 1.00 0.00 C ATOM 308 CG ASP A 23 -7.250 -12.528 2.642 1.00 0.00 C ATOM 309 OD1 ASP A 23 -6.938 -13.430 1.835 1.00 0.00 O ATOM 310 OD2 ASP A 23 -8.410 -12.241 3.010 1.00 0.00 O ATOM 0 H ASP A 23 -3.595 -12.349 2.848 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.665 -10.980 1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.537 -12.331 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.535 -10.893 3.830 1.00 0.00 H new ATOM 315 N ALA A 24 -5.196 -8.686 2.142 1.00 0.00 N ATOM 316 CA ALA A 24 -4.836 -7.338 2.548 1.00 0.00 C ATOM 317 C ALA A 24 -6.100 -6.480 2.631 1.00 0.00 C ATOM 318 O ALA A 24 -7.193 -6.946 2.312 1.00 0.00 O ATOM 319 CB ALA A 24 -3.807 -6.768 1.570 1.00 0.00 C ATOM 0 H ALA A 24 -5.866 -8.736 1.375 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.377 -7.345 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.537 -5.757 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.917 -7.397 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.233 -6.743 0.567 1.00 0.00 H new ATOM 325 N GLU A 25 -5.909 -5.242 3.061 1.00 0.00 N ATOM 326 CA GLU A 25 -7.020 -4.314 3.189 1.00 0.00 C ATOM 327 C GLU A 25 -6.638 -2.946 2.621 1.00 0.00 C ATOM 328 O GLU A 25 -5.556 -2.434 2.901 1.00 0.00 O ATOM 329 CB GLU A 25 -7.470 -4.197 4.647 1.00 0.00 C ATOM 330 CG GLU A 25 -8.329 -5.395 5.054 1.00 0.00 C ATOM 331 CD GLU A 25 -7.730 -6.113 6.265 1.00 0.00 C ATOM 332 OE1 GLU A 25 -6.485 -6.225 6.300 1.00 0.00 O ATOM 333 OE2 GLU A 25 -8.529 -6.534 7.129 1.00 0.00 O ATOM 0 H GLU A 25 -5.001 -4.859 3.325 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.860 -4.702 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.597 -4.134 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.036 -3.276 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.339 -5.060 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.410 -6.090 4.218 1.00 0.00 H new ATOM 340 N SER A 26 -7.549 -2.393 1.833 1.00 0.00 N ATOM 341 CA SER A 26 -7.321 -1.094 1.223 1.00 0.00 C ATOM 342 C SER A 26 -7.091 -0.040 2.308 1.00 0.00 C ATOM 343 O SER A 26 -7.844 0.033 3.278 1.00 0.00 O ATOM 344 CB SER A 26 -8.497 -0.691 0.331 1.00 0.00 C ATOM 345 OG SER A 26 -9.742 -0.774 1.019 1.00 0.00 O ATOM 0 H SER A 26 -8.446 -2.821 1.603 1.00 0.00 H new ATOM 0 HA SER A 26 -6.432 -1.161 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.348 0.328 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.524 -1.337 -0.547 1.00 0.00 H new ATOM 0 HG SER A 26 -10.409 -0.225 0.556 1.00 0.00 H new ATOM 351 N TRP A 27 -6.048 0.752 2.107 1.00 0.00 N ATOM 352 CA TRP A 27 -5.710 1.799 3.056 1.00 0.00 C ATOM 353 C TRP A 27 -5.579 1.159 4.440 1.00 0.00 C ATOM 354 O TRP A 27 -5.941 1.768 5.446 1.00 0.00 O ATOM 355 CB TRP A 27 -6.739 2.930 3.015 1.00 0.00 C ATOM 356 CG TRP A 27 -7.196 3.305 1.604 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.302 2.906 0.961 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.508 4.176 0.681 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.378 3.454 -0.303 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.252 4.251 -0.479 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.298 4.877 0.822 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -6.869 5.016 -1.587 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -4.929 5.637 -0.295 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.666 5.723 -1.470 1.00 0.00 C ATOM 0 H TRP A 27 -5.426 0.690 1.301 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.758 2.263 2.796 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.610 2.637 3.602 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.314 3.812 3.494 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.041 2.239 1.380 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.123 3.302 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.700 4.833 1.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.469 5.059 -2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.006 6.196 -0.239 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.313 6.332 -2.289 1.00 0.00 H new ATOM 375 N LYS A 28 -5.060 -0.060 4.446 1.00 0.00 N ATOM 376 CA LYS A 28 -4.877 -0.789 5.690 1.00 0.00 C ATOM 377 C LYS A 28 -3.494 -1.442 5.694 1.00 0.00 C ATOM 378 O LYS A 28 -2.667 -1.148 6.555 1.00 0.00 O ATOM 379 CB LYS A 28 -6.025 -1.777 5.905 1.00 0.00 C ATOM 380 CG LYS A 28 -7.079 -1.196 6.850 1.00 0.00 C ATOM 381 CD LYS A 28 -7.870 -2.309 7.540 1.00 0.00 C ATOM 382 CE LYS A 28 -9.233 -1.800 8.013 1.00 0.00 C ATOM 383 NZ LYS A 28 -9.075 -0.900 9.177 1.00 0.00 N ATOM 0 H LYS A 28 -4.760 -0.561 3.610 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.910 -0.108 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.485 -2.020 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.636 -2.708 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.595 -0.570 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.760 -0.554 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.008 -3.143 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.304 -2.689 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.732 -1.270 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.869 -2.643 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.010 -0.564 9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.619 -1.417 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.485 -0.086 8.909 1.00 0.00 H new ATOM 397 N THR A 29 -3.285 -2.318 4.721 1.00 0.00 N ATOM 398 CA THR A 29 -2.016 -3.015 4.602 1.00 0.00 C ATOM 399 C THR A 29 -1.180 -2.412 3.471 1.00 0.00 C ATOM 400 O THR A 29 -1.724 -1.824 2.538 1.00 0.00 O ATOM 401 CB THR A 29 -2.311 -4.504 4.412 1.00 0.00 C ATOM 402 OG1 THR A 29 -2.978 -4.882 5.613 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.041 -5.357 4.406 1.00 0.00 C ATOM 0 H THR A 29 -3.973 -2.560 4.008 1.00 0.00 H new ATOM 0 HA THR A 29 -1.415 -2.900 5.504 1.00 0.00 H new ATOM 0 HB THR A 29 -2.850 -4.650 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.208 -5.834 5.574 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.307 -6.405 4.268 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.392 -5.037 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.518 -5.237 5.355 1.00 0.00 H new ATOM 411 N THR A 30 0.129 -2.579 3.592 1.00 0.00 N ATOM 412 CA THR A 30 1.045 -2.058 2.592 1.00 0.00 C ATOM 413 C THR A 30 1.939 -3.177 2.054 1.00 0.00 C ATOM 414 O THR A 30 1.895 -4.303 2.547 1.00 0.00 O ATOM 415 CB THR A 30 1.828 -0.905 3.223 1.00 0.00 C ATOM 416 OG1 THR A 30 3.000 -1.526 3.746 1.00 0.00 O ATOM 417 CG2 THR A 30 1.130 -0.329 4.457 1.00 0.00 C ATOM 0 H THR A 30 0.577 -3.068 4.367 1.00 0.00 H new ATOM 0 HA THR A 30 0.507 -1.670 1.727 1.00 0.00 H new ATOM 0 HB THR A 30 1.970 -0.116 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.773 -0.940 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.727 0.486 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.146 0.048 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.018 -1.110 5.209 1.00 0.00 H new ATOM 425 N PRO A 31 2.751 -2.819 1.024 1.00 0.00 N ATOM 426 CA PRO A 31 3.654 -3.780 0.413 1.00 0.00 C ATOM 427 C PRO A 31 4.860 -4.048 1.316 1.00 0.00 C ATOM 428 O PRO A 31 5.537 -5.065 1.167 1.00 0.00 O ATOM 429 CB PRO A 31 4.037 -3.166 -0.923 1.00 0.00 C ATOM 430 CG PRO A 31 3.709 -1.686 -0.811 1.00 0.00 C ATOM 431 CD PRO A 31 2.830 -1.495 0.414 1.00 0.00 C ATOM 0 HA PRO A 31 3.194 -4.758 0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.096 -3.317 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.482 -3.628 -1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.623 -1.098 -0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.195 -1.340 -1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.262 -0.767 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.842 -1.126 0.139 1.00 0.00 H new ATOM 439 N TYR A 32 5.093 -3.119 2.231 1.00 0.00 N ATOM 440 CA TYR A 32 6.205 -3.243 3.157 1.00 0.00 C ATOM 441 C TYR A 32 5.913 -4.296 4.228 1.00 0.00 C ATOM 442 O TYR A 32 6.809 -5.030 4.642 1.00 0.00 O ATOM 443 CB TYR A 32 6.349 -1.876 3.829 1.00 0.00 C ATOM 444 CG TYR A 32 7.731 -1.621 4.433 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.861 -1.759 3.652 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.849 -1.254 5.758 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.162 -1.519 4.219 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.151 -1.014 6.325 1.00 0.00 C ATOM 449 CZ TYR A 32 10.243 -1.158 5.528 1.00 0.00 C ATOM 450 OH TYR A 32 11.472 -0.931 6.064 1.00 0.00 O ATOM 0 H TYR A 32 4.530 -2.277 2.351 1.00 0.00 H new ATOM 0 HA TYR A 32 7.110 -3.548 2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.135 -1.098 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.599 -1.788 4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.769 -2.047 2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.965 -1.147 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.054 -1.623 3.619 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.258 -0.726 7.360 1.00 0.00 H new ATOM 0 HH TYR A 32 11.377 -0.680 7.007 1.00 0.00 H new ATOM 460 N GLN A 33 4.656 -4.337 4.645 1.00 0.00 N ATOM 461 CA GLN A 33 4.235 -5.289 5.659 1.00 0.00 C ATOM 462 C GLN A 33 4.167 -6.699 5.068 1.00 0.00 C ATOM 463 O GLN A 33 4.778 -7.627 5.596 1.00 0.00 O ATOM 464 CB GLN A 33 2.890 -4.883 6.266 1.00 0.00 C ATOM 465 CG GLN A 33 3.091 -4.055 7.537 1.00 0.00 C ATOM 466 CD GLN A 33 1.763 -3.473 8.027 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.036 -4.079 8.797 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.488 -2.267 7.538 1.00 0.00 N ATOM 0 H GLN A 33 3.916 -3.727 4.299 1.00 0.00 H new ATOM 0 HA GLN A 33 4.974 -5.288 6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.318 -4.307 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.307 -5.775 6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.529 -4.679 8.316 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.796 -3.247 7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.141 -1.816 6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.625 -1.794 7.804 1.00 0.00 H new ATOM 477 N ILE A 34 3.418 -6.815 3.982 1.00 0.00 N ATOM 478 CA ILE A 34 3.262 -8.096 3.314 1.00 0.00 C ATOM 479 C ILE A 34 4.606 -8.826 3.299 1.00 0.00 C ATOM 480 O ILE A 34 4.722 -9.932 3.824 1.00 0.00 O ATOM 481 CB ILE A 34 2.650 -7.905 1.925 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.249 -7.298 2.021 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.653 -9.218 1.139 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.272 -8.024 1.094 1.00 0.00 C ATOM 0 H ILE A 34 2.912 -6.043 3.548 1.00 0.00 H new ATOM 0 HA ILE A 34 2.562 -8.728 3.861 1.00 0.00 H new ATOM 0 HB ILE A 34 3.270 -7.198 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.893 -7.358 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.288 -6.241 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.213 -9.054 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.678 -9.571 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.071 -9.966 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.716 -7.573 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.618 -7.942 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.217 -9.076 1.375 1.00 0.00 H new ATOM 663 N ILE A 48 11.816 -1.282 -4.390 1.00 0.00 N ATOM 664 CA ILE A 48 10.559 -0.657 -4.767 1.00 0.00 C ATOM 665 C ILE A 48 9.513 -1.742 -5.028 1.00 0.00 C ATOM 666 O ILE A 48 9.745 -2.656 -5.818 1.00 0.00 O ATOM 667 CB ILE A 48 10.766 0.294 -5.948 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.385 1.615 -5.486 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.460 0.510 -6.714 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.460 2.341 -4.507 1.00 0.00 C ATOM 0 HA ILE A 48 10.182 -0.039 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 48 11.471 -0.168 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.346 1.423 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.579 2.252 -6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.635 1.190 -7.548 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.099 -0.446 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.713 0.940 -6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.924 3.277 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.508 2.553 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.288 1.712 -3.634 1.00 0.00 H new ATOM 682 N ALA A 49 8.384 -1.606 -4.348 1.00 0.00 N ATOM 683 CA ALA A 49 7.301 -2.564 -4.497 1.00 0.00 C ATOM 684 C ALA A 49 6.343 -2.079 -5.587 1.00 0.00 C ATOM 685 O ALA A 49 5.996 -0.900 -5.634 1.00 0.00 O ATOM 686 CB ALA A 49 6.602 -2.757 -3.150 1.00 0.00 C ATOM 0 H ALA A 49 8.196 -0.847 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 49 7.687 -3.535 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.790 -3.475 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.319 -3.130 -2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.199 -1.803 -2.809 1.00 0.00 H new ATOM 692 N LYS A 50 5.943 -3.014 -6.436 1.00 0.00 N ATOM 693 CA LYS A 50 5.032 -2.697 -7.523 1.00 0.00 C ATOM 694 C LYS A 50 3.609 -3.093 -7.122 1.00 0.00 C ATOM 695 O LYS A 50 3.409 -4.097 -6.440 1.00 0.00 O ATOM 696 CB LYS A 50 5.506 -3.344 -8.826 1.00 0.00 C ATOM 697 CG LYS A 50 6.535 -2.460 -9.534 1.00 0.00 C ATOM 698 CD LYS A 50 6.838 -2.988 -10.938 1.00 0.00 C ATOM 699 CE LYS A 50 7.405 -1.881 -11.829 1.00 0.00 C ATOM 700 NZ LYS A 50 8.584 -2.371 -12.576 1.00 0.00 N ATOM 0 H LYS A 50 6.233 -3.991 -6.393 1.00 0.00 H new ATOM 0 HA LYS A 50 5.024 -1.624 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.944 -4.319 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.653 -3.514 -9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.159 -1.439 -9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.454 -2.425 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.551 -3.810 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.928 -3.389 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.640 -1.540 -12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.685 -1.022 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.123 -1.561 -12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.189 -2.931 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.270 -2.966 -13.369 1.00 0.00 H new ATOM 714 N VAL A 51 2.657 -2.283 -7.563 1.00 0.00 N ATOM 715 CA VAL A 51 1.259 -2.537 -7.258 1.00 0.00 C ATOM 716 C VAL A 51 0.442 -2.479 -8.550 1.00 0.00 C ATOM 717 O VAL A 51 0.075 -1.399 -9.009 1.00 0.00 O ATOM 718 CB VAL A 51 0.768 -1.551 -6.196 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.755 -1.604 -6.061 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.447 -1.813 -4.850 1.00 0.00 C ATOM 0 H VAL A 51 2.826 -1.451 -8.129 1.00 0.00 H new ATOM 0 HA VAL A 51 1.134 -3.535 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 51 1.041 -0.546 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.078 -0.894 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.214 -1.347 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.060 -2.610 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.081 -1.099 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.219 -2.826 -4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.526 -1.701 -4.959 1.00 0.00 H new ATOM 730 N ASN A 52 0.181 -3.656 -9.101 1.00 0.00 N ATOM 731 CA ASN A 52 -0.586 -3.753 -10.331 1.00 0.00 C ATOM 732 C ASN A 52 0.334 -3.481 -11.523 1.00 0.00 C ATOM 733 O ASN A 52 -0.127 -3.067 -12.586 1.00 0.00 O ATOM 734 CB ASN A 52 -1.714 -2.720 -10.360 1.00 0.00 C ATOM 735 CG ASN A 52 -2.961 -3.289 -11.040 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.406 -2.817 -12.073 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.498 -4.327 -10.405 1.00 0.00 N ATOM 0 H ASN A 52 0.487 -4.550 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.013 -4.755 -10.384 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.958 -2.414 -9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.381 -1.828 -10.890 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.333 -4.778 -10.779 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.075 -4.672 -9.544 1.00 0.00 H new ATOM 744 N ASN A 53 1.618 -3.726 -11.307 1.00 0.00 N ATOM 745 CA ASN A 53 2.607 -3.513 -12.351 1.00 0.00 C ATOM 746 C ASN A 53 2.991 -2.033 -12.388 1.00 0.00 C ATOM 747 O ASN A 53 3.541 -1.555 -13.379 1.00 0.00 O ATOM 748 CB ASN A 53 2.048 -3.891 -13.724 1.00 0.00 C ATOM 749 CG ASN A 53 3.158 -4.399 -14.646 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.186 -3.769 -14.829 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.893 -5.571 -15.216 1.00 0.00 N ATOM 0 H ASN A 53 1.997 -4.070 -10.425 1.00 0.00 H new ATOM 0 HA ASN A 53 3.472 -4.138 -12.129 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.284 -4.660 -13.611 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.564 -3.025 -14.175 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.571 -5.995 -15.850 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.012 -6.046 -15.020 1.00 0.00 H new ATOM 758 N VAL A 54 2.687 -1.347 -11.296 1.00 0.00 N ATOM 759 CA VAL A 54 2.994 0.069 -11.191 1.00 0.00 C ATOM 760 C VAL A 54 3.750 0.327 -9.886 1.00 0.00 C ATOM 761 O VAL A 54 3.351 -0.155 -8.827 1.00 0.00 O ATOM 762 CB VAL A 54 1.711 0.893 -11.312 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.610 0.093 -12.011 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.245 1.386 -9.941 1.00 0.00 C ATOM 0 H VAL A 54 2.231 -1.746 -10.476 1.00 0.00 H new ATOM 0 HA VAL A 54 3.643 0.381 -12.009 1.00 0.00 H new ATOM 0 HB VAL A 54 1.930 1.767 -11.925 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.291 0.702 -12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.942 -0.186 -13.011 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.394 -0.808 -11.436 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.331 1.969 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.051 0.531 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.020 2.010 -9.496 1.00 0.00 H new ATOM 774 N VAL A 55 4.829 1.088 -10.005 1.00 0.00 N ATOM 775 CA VAL A 55 5.644 1.416 -8.848 1.00 0.00 C ATOM 776 C VAL A 55 4.736 1.865 -7.700 1.00 0.00 C ATOM 777 O VAL A 55 3.809 2.646 -7.907 1.00 0.00 O ATOM 778 CB VAL A 55 6.692 2.465 -9.226 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.407 2.998 -7.984 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.693 1.900 -10.236 1.00 0.00 C ATOM 0 H VAL A 55 5.157 1.486 -10.885 1.00 0.00 H new ATOM 0 HA VAL A 55 6.191 0.538 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 55 6.175 3.300 -9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.146 3.742 -8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.680 3.457 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.905 2.176 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.427 2.665 -10.488 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.201 1.039 -9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.165 1.593 -11.139 1.00 0.00 H new ATOM 790 N TRP A 56 5.035 1.352 -6.516 1.00 0.00 N ATOM 791 CA TRP A 56 4.258 1.690 -5.336 1.00 0.00 C ATOM 792 C TRP A 56 5.233 1.936 -4.183 1.00 0.00 C ATOM 793 O TRP A 56 6.349 1.421 -4.188 1.00 0.00 O ATOM 794 CB TRP A 56 3.229 0.601 -5.027 1.00 0.00 C ATOM 795 CG TRP A 56 1.936 1.126 -4.399 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.633 1.228 -3.098 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.778 1.620 -5.104 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.369 1.750 -2.913 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.168 1.996 -4.171 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.536 1.746 -6.483 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.418 2.522 -4.517 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.718 2.273 -6.812 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.681 2.656 -5.886 1.00 0.00 C ATOM 0 H TRP A 56 5.805 0.704 -6.348 1.00 0.00 H new ATOM 0 HA TRP A 56 3.679 2.598 -5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.985 0.074 -5.949 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.678 -0.128 -4.353 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.295 0.938 -2.295 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.087 1.923 -2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.261 1.459 -7.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.141 2.809 -3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.954 2.390 -7.859 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.627 3.055 -6.220 1.00 0.00 H new ATOM 814 N ASP A 57 4.775 2.724 -3.221 1.00 0.00 N ATOM 815 CA ASP A 57 5.592 3.045 -2.063 1.00 0.00 C ATOM 816 C ASP A 57 5.358 1.997 -0.973 1.00 0.00 C ATOM 817 O ASP A 57 4.275 1.420 -0.884 1.00 0.00 O ATOM 818 CB ASP A 57 5.222 4.414 -1.490 1.00 0.00 C ATOM 819 CG ASP A 57 5.097 5.535 -2.524 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.159 6.058 -2.926 1.00 0.00 O ATOM 821 OD2 ASP A 57 3.942 5.844 -2.890 1.00 0.00 O ATOM 0 H ASP A 57 3.848 3.150 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 57 6.635 3.057 -2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.275 4.324 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.975 4.700 -0.756 1.00 0.00 H new ATOM 826 N LEU A 58 6.390 1.784 -0.170 1.00 0.00 N ATOM 827 CA LEU A 58 6.310 0.817 0.911 1.00 0.00 C ATOM 828 C LEU A 58 5.571 1.442 2.096 1.00 0.00 C ATOM 829 O LEU A 58 4.938 0.737 2.879 1.00 0.00 O ATOM 830 CB LEU A 58 7.703 0.290 1.263 1.00 0.00 C ATOM 831 CG LEU A 58 8.642 0.036 0.082 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.043 0.579 0.370 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.667 -1.447 -0.289 1.00 0.00 C ATOM 0 H LEU A 58 7.286 2.265 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 58 5.734 -0.055 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.181 1.003 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.588 -0.642 1.817 1.00 0.00 H new ATOM 0 HG LEU A 58 8.258 0.577 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.691 0.386 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.988 1.653 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.450 0.086 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.342 -1.600 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.014 -2.030 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.663 -1.770 -0.565 1.00 0.00 H new ATOM 845 N ASP A 59 5.677 2.759 2.190 1.00 0.00 N ATOM 846 CA ASP A 59 5.027 3.488 3.266 1.00 0.00 C ATOM 847 C ASP A 59 3.588 3.811 2.860 1.00 0.00 C ATOM 848 O ASP A 59 2.835 4.393 3.640 1.00 0.00 O ATOM 849 CB ASP A 59 5.746 4.808 3.550 1.00 0.00 C ATOM 850 CG ASP A 59 5.147 5.639 4.687 1.00 0.00 C ATOM 851 OD1 ASP A 59 4.123 6.306 4.424 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.726 5.587 5.793 1.00 0.00 O ATOM 0 H ASP A 59 6.204 3.341 1.538 1.00 0.00 H new ATOM 0 HA ASP A 59 5.053 2.864 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.788 4.593 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.743 5.409 2.641 1.00 0.00 H new ATOM 857 N ARG A 60 3.248 3.421 1.640 1.00 0.00 N ATOM 858 CA ARG A 60 1.913 3.662 1.122 1.00 0.00 C ATOM 859 C ARG A 60 1.142 2.345 1.008 1.00 0.00 C ATOM 860 O ARG A 60 1.612 1.399 0.378 1.00 0.00 O ATOM 861 CB ARG A 60 1.968 4.333 -0.252 1.00 0.00 C ATOM 862 CG ARG A 60 0.573 4.764 -0.709 1.00 0.00 C ATOM 863 CD ARG A 60 0.659 5.811 -1.821 1.00 0.00 C ATOM 864 NE ARG A 60 -0.701 6.234 -2.224 1.00 0.00 N ATOM 865 CZ ARG A 60 -1.461 7.085 -1.521 1.00 0.00 C ATOM 866 NH1 ARG A 60 -1.000 7.608 -0.377 1.00 0.00 N ATOM 867 NH2 ARG A 60 -2.683 7.413 -1.963 1.00 0.00 N ATOM 0 H ARG A 60 3.875 2.939 0.995 1.00 0.00 H new ATOM 0 HA ARG A 60 1.402 4.327 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.625 5.202 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.396 3.644 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.019 3.896 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.019 5.171 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.230 6.673 -1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.190 5.399 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.083 5.854 -3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.070 7.359 -0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.579 8.256 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.034 7.015 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.262 8.061 -1.428 1.00 0.00 H new ATOM 881 N PRO A 61 -0.060 2.326 1.644 1.00 0.00 N ATOM 882 CA PRO A 61 -0.901 1.141 1.620 1.00 0.00 C ATOM 883 C PRO A 61 -1.580 0.978 0.258 1.00 0.00 C ATOM 884 O PRO A 61 -1.900 1.965 -0.402 1.00 0.00 O ATOM 885 CB PRO A 61 -1.890 1.338 2.757 1.00 0.00 C ATOM 886 CG PRO A 61 -1.868 2.824 3.077 1.00 0.00 C ATOM 887 CD PRO A 61 -0.649 3.428 2.400 1.00 0.00 C ATOM 0 HA PRO A 61 -0.335 0.220 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.890 1.016 2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.607 0.747 3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.779 3.305 2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.824 2.982 4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.928 4.253 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.054 3.826 3.132 1.00 0.00 H new ATOM 895 N LEU A 62 -1.779 -0.275 -0.121 1.00 0.00 N ATOM 896 CA LEU A 62 -2.414 -0.581 -1.392 1.00 0.00 C ATOM 897 C LEU A 62 -3.759 0.145 -1.473 1.00 0.00 C ATOM 898 O LEU A 62 -4.189 0.772 -0.506 1.00 0.00 O ATOM 899 CB LEU A 62 -2.520 -2.094 -1.588 1.00 0.00 C ATOM 900 CG LEU A 62 -1.251 -2.899 -1.299 1.00 0.00 C ATOM 901 CD1 LEU A 62 0.001 -2.082 -1.622 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.244 -3.412 0.143 1.00 0.00 C ATOM 0 H LEU A 62 -1.512 -1.091 0.430 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.804 -0.218 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.318 -2.468 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.822 -2.287 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.244 -3.772 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.889 -2.677 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.006 -1.807 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.014 -1.179 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.332 -3.981 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.286 -2.567 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.110 -4.054 0.305 1.00 0.00 H new ATOM 914 N GLU A 63 -4.384 0.037 -2.636 1.00 0.00 N ATOM 915 CA GLU A 63 -5.671 0.675 -2.856 1.00 0.00 C ATOM 916 C GLU A 63 -6.764 -0.380 -3.034 1.00 0.00 C ATOM 917 O GLU A 63 -7.881 -0.211 -2.549 1.00 0.00 O ATOM 918 CB GLU A 63 -5.617 1.618 -4.060 1.00 0.00 C ATOM 919 CG GLU A 63 -5.200 3.027 -3.635 1.00 0.00 C ATOM 920 CD GLU A 63 -5.573 4.055 -4.705 1.00 0.00 C ATOM 921 OE1 GLU A 63 -6.730 4.527 -4.659 1.00 0.00 O ATOM 922 OE2 GLU A 63 -4.694 4.347 -5.543 1.00 0.00 O ATOM 0 H GLU A 63 -4.023 -0.483 -3.436 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.912 1.274 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.912 1.233 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.594 1.654 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.684 3.285 -2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.125 3.054 -3.458 1.00 0.00 H new ATOM 929 N GLU A 64 -6.403 -1.447 -3.732 1.00 0.00 N ATOM 930 CA GLU A 64 -7.339 -2.531 -3.981 1.00 0.00 C ATOM 931 C GLU A 64 -6.596 -3.767 -4.491 1.00 0.00 C ATOM 932 O GLU A 64 -5.398 -3.708 -4.763 1.00 0.00 O ATOM 933 CB GLU A 64 -8.427 -2.099 -4.966 1.00 0.00 C ATOM 934 CG GLU A 64 -7.840 -1.844 -6.355 1.00 0.00 C ATOM 935 CD GLU A 64 -8.574 -0.701 -7.059 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.569 -1.007 -7.751 1.00 0.00 O ATOM 937 OE2 GLU A 64 -8.124 0.453 -6.890 1.00 0.00 O ATOM 0 H GLU A 64 -5.475 -1.584 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.827 -2.788 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.194 -2.871 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.914 -1.194 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.781 -1.601 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.911 -2.751 -6.956 1.00 0.00 H new ATOM 944 N ASP A 65 -7.338 -4.859 -4.605 1.00 0.00 N ATOM 945 CA ASP A 65 -6.765 -6.107 -5.078 1.00 0.00 C ATOM 946 C ASP A 65 -5.800 -5.817 -6.229 1.00 0.00 C ATOM 947 O ASP A 65 -6.217 -5.374 -7.298 1.00 0.00 O ATOM 948 CB ASP A 65 -7.852 -7.050 -5.599 1.00 0.00 C ATOM 949 CG ASP A 65 -8.912 -6.389 -6.483 1.00 0.00 C ATOM 950 OD1 ASP A 65 -9.638 -5.524 -5.947 1.00 0.00 O ATOM 951 OD2 ASP A 65 -8.971 -6.763 -7.674 1.00 0.00 O ATOM 0 H ASP A 65 -8.331 -4.905 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.249 -6.579 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.376 -7.851 -6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.349 -7.514 -4.747 1.00 0.00 H new ATOM 956 N CYS A 66 -4.526 -6.078 -5.971 1.00 0.00 N ATOM 957 CA CYS A 66 -3.498 -5.850 -6.972 1.00 0.00 C ATOM 958 C CYS A 66 -2.357 -6.838 -6.721 1.00 0.00 C ATOM 959 O CYS A 66 -2.378 -7.581 -5.741 1.00 0.00 O ATOM 960 CB CYS A 66 -3.010 -4.400 -6.961 1.00 0.00 C ATOM 961 SG CYS A 66 -2.647 -3.874 -5.247 1.00 0.00 S ATOM 0 H CYS A 66 -4.183 -6.445 -5.083 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.911 -6.018 -7.967 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.116 -4.304 -7.577 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.768 -3.749 -7.397 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.761 -3.711 -4.598 1.00 0.00 H new ATOM 967 N THR A 67 -1.388 -6.814 -7.625 1.00 0.00 N ATOM 968 CA THR A 67 -0.240 -7.699 -7.514 1.00 0.00 C ATOM 969 C THR A 67 0.916 -6.987 -6.809 1.00 0.00 C ATOM 970 O THR A 67 1.112 -5.786 -6.989 1.00 0.00 O ATOM 971 CB THR A 67 0.115 -8.190 -8.919 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.011 -7.028 -9.735 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.928 -9.156 -9.483 1.00 0.00 C ATOM 0 H THR A 67 -1.374 -6.196 -8.437 1.00 0.00 H new ATOM 0 HA THR A 67 -0.469 -8.569 -6.898 1.00 0.00 H new ATOM 0 HB THR A 67 1.088 -8.680 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.203 -7.256 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.627 -9.474 -10.481 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.006 -10.028 -8.833 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.895 -8.656 -9.537 1.00 0.00 H new ATOM 981 N LEU A 68 1.650 -7.758 -6.020 1.00 0.00 N ATOM 982 CA LEU A 68 2.782 -7.216 -5.287 1.00 0.00 C ATOM 983 C LEU A 68 4.078 -7.798 -5.854 1.00 0.00 C ATOM 984 O LEU A 68 4.181 -9.006 -6.064 1.00 0.00 O ATOM 985 CB LEU A 68 2.608 -7.450 -3.785 1.00 0.00 C ATOM 986 CG LEU A 68 3.780 -7.020 -2.900 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.123 -5.546 -3.122 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.496 -7.327 -1.428 1.00 0.00 C ATOM 0 H LEU A 68 1.483 -8.753 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 68 2.836 -6.135 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.715 -6.918 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.425 -8.512 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 68 4.656 -7.601 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.959 -5.266 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.397 -5.389 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.257 -4.930 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.344 -7.012 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.602 -6.790 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.339 -8.398 -1.304 1.00 0.00 H new ATOM 1000 N GLU A 69 5.035 -6.912 -6.087 1.00 0.00 N ATOM 1001 CA GLU A 69 6.320 -7.323 -6.626 1.00 0.00 C ATOM 1002 C GLU A 69 7.434 -6.423 -6.086 1.00 0.00 C ATOM 1003 O GLU A 69 7.355 -5.200 -6.190 1.00 0.00 O ATOM 1004 CB GLU A 69 6.301 -7.313 -8.156 1.00 0.00 C ATOM 1005 CG GLU A 69 7.650 -7.762 -8.723 1.00 0.00 C ATOM 1006 CD GLU A 69 7.583 -7.906 -10.245 1.00 0.00 C ATOM 1007 OE1 GLU A 69 7.414 -6.859 -10.907 1.00 0.00 O ATOM 1008 OE2 GLU A 69 7.703 -9.059 -10.712 1.00 0.00 O ATOM 0 H GLU A 69 4.946 -5.911 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 69 6.517 -8.346 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.512 -7.973 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.067 -6.310 -8.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.420 -7.038 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.938 -8.714 -8.276 1.00 0.00 H new ATOM 1015 N LEU A 70 8.446 -7.065 -5.520 1.00 0.00 N ATOM 1016 CA LEU A 70 9.575 -6.338 -4.963 1.00 0.00 C ATOM 1017 C LEU A 70 10.705 -6.292 -5.994 1.00 0.00 C ATOM 1018 O LEU A 70 11.209 -7.333 -6.414 1.00 0.00 O ATOM 1019 CB LEU A 70 9.991 -6.942 -3.621 1.00 0.00 C ATOM 1020 CG LEU A 70 8.876 -7.112 -2.587 1.00 0.00 C ATOM 1021 CD1 LEU A 70 8.019 -5.848 -2.493 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.035 -8.354 -2.887 1.00 0.00 C ATOM 0 H LEU A 70 8.508 -8.080 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 70 9.296 -5.306 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.438 -7.918 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.768 -6.313 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 70 9.335 -7.263 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.234 -5.995 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.644 -5.006 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.567 -5.642 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.250 -8.452 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.584 -8.258 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.671 -9.239 -2.863 1.00 0.00 H new ATOM 1034 N LEU A 71 11.070 -5.076 -6.371 1.00 0.00 N ATOM 1035 CA LEU A 71 12.131 -4.881 -7.344 1.00 0.00 C ATOM 1036 C LEU A 71 13.486 -5.079 -6.662 1.00 0.00 C ATOM 1037 O LEU A 71 13.610 -4.888 -5.453 1.00 0.00 O ATOM 1038 CB LEU A 71 11.982 -3.523 -8.034 1.00 0.00 C ATOM 1039 CG LEU A 71 10.924 -3.442 -9.136 1.00 0.00 C ATOM 1040 CD1 LEU A 71 9.842 -4.505 -8.935 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.334 -2.033 -9.227 1.00 0.00 C ATOM 0 H LEU A 71 10.650 -4.215 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 71 12.062 -5.625 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.746 -2.777 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.946 -3.248 -8.462 1.00 0.00 H new ATOM 0 HG LEU A 71 11.407 -3.651 -10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.102 -4.426 -9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.296 -5.496 -8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.356 -4.352 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.585 -2.003 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.869 -1.771 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.127 -1.320 -9.451 1.00 0.00 H new