USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 742 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 37 SER OG : rot -170:sc= 0.0618 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -2.87! X(o=-1.8!,f=-1.5) USER MOD Set 1.3: A 87 TYR OH : rot -60:sc= 0.989 USER MOD Set 2.1: A 64 ASN :FLIP amide:sc= -0.46! F(o=-3.6,f=-0.98!) USER MOD Set 2.2: A 68 THR OG1 : rot 88:sc= -0.52! USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.57! C(o=-4.6!,f=-5.1!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0732 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.269 F(o=-1.8,f=-0.27) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 73 TYR OH : rot -12:sc= 0.66 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0787 K(o=-0.079,f=-1.3!) USER MOD Single : A 81 TYR OH : rot 161:sc= 1.23 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -139:sc= -0.672 USER MOD Single : A 98 LYS NZ :NH3+ 143:sc= -0.459 (180deg=-2.18!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -41:sc= -0.332 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.550 20.546 5.007 1.00 0.00 N ATOM 83 CA VAL A 9 1.417 19.165 4.562 1.00 0.00 C ATOM 84 C VAL A 9 0.025 18.620 4.863 1.00 0.00 C ATOM 85 O VAL A 9 -0.497 18.800 5.963 1.00 0.00 O ATOM 86 CB VAL A 9 2.467 18.256 5.229 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.170 16.793 4.938 1.00 0.00 C ATOM 88 CG2 VAL A 9 3.866 18.627 4.762 1.00 0.00 C ATOM 0 HA VAL A 9 1.578 19.165 3.484 1.00 0.00 H new ATOM 0 HB VAL A 9 2.417 18.404 6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.922 16.167 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.184 16.538 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.190 16.625 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.595 17.975 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.932 18.509 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.075 19.663 5.027 1.00 0.00 H new ATOM 98 N ASP A 10 -0.570 17.956 3.879 1.00 0.00 N ATOM 99 CA ASP A 10 -1.902 17.383 4.039 1.00 0.00 C ATOM 100 C ASP A 10 -1.890 15.888 3.742 1.00 0.00 C ATOM 101 O ASP A 10 -1.998 15.457 2.593 1.00 0.00 O ATOM 102 CB ASP A 10 -2.898 18.091 3.119 1.00 0.00 C ATOM 103 CG ASP A 10 -4.334 17.908 3.571 1.00 0.00 C ATOM 104 OD1 ASP A 10 -4.727 16.755 3.848 1.00 0.00 O ATOM 105 OD2 ASP A 10 -5.064 18.918 3.648 1.00 0.00 O ATOM 0 H ASP A 10 -0.152 17.801 2.962 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.210 17.526 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.664 19.155 3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.788 17.707 2.105 1.00 0.00 H new ATOM 110 N PRO A 11 -1.754 15.075 4.800 1.00 0.00 N ATOM 111 CA PRO A 11 -1.724 13.614 4.678 1.00 0.00 C ATOM 112 C PRO A 11 -3.080 13.037 4.285 1.00 0.00 C ATOM 113 O PRO A 11 -3.234 11.822 4.153 1.00 0.00 O ATOM 114 CB PRO A 11 -1.331 13.148 6.082 1.00 0.00 C ATOM 115 CG PRO A 11 -1.779 14.246 6.985 1.00 0.00 C ATOM 116 CD PRO A 11 -1.620 15.518 6.198 1.00 0.00 C ATOM 0 HA PRO A 11 -1.038 13.285 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.814 12.205 6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.256 12.986 6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.816 14.102 7.290 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.180 14.272 7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.382 16.251 6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.652 15.985 6.380 1.00 0.00 H new ATOM 124 N SER A 12 -4.060 13.916 4.099 1.00 0.00 N ATOM 125 CA SER A 12 -5.404 13.493 3.725 1.00 0.00 C ATOM 126 C SER A 12 -5.638 13.687 2.230 1.00 0.00 C ATOM 127 O SER A 12 -6.736 13.452 1.725 1.00 0.00 O ATOM 128 CB SER A 12 -6.450 14.276 4.521 1.00 0.00 C ATOM 129 OG SER A 12 -6.094 14.350 5.892 1.00 0.00 O ATOM 0 H SER A 12 -3.948 14.925 4.201 1.00 0.00 H new ATOM 0 HA SER A 12 -5.501 12.432 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.546 15.282 4.112 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.424 13.796 4.420 1.00 0.00 H new ATOM 0 HG SER A 12 -6.776 14.856 6.380 1.00 0.00 H new ATOM 135 N LYS A 13 -4.597 14.118 1.526 1.00 0.00 N ATOM 136 CA LYS A 13 -4.685 14.344 0.088 1.00 0.00 C ATOM 137 C LYS A 13 -3.985 13.228 -0.682 1.00 0.00 C ATOM 138 O LYS A 13 -4.134 13.112 -1.899 1.00 0.00 O ATOM 139 CB LYS A 13 -4.067 15.695 -0.276 1.00 0.00 C ATOM 140 CG LYS A 13 -4.609 16.853 0.545 1.00 0.00 C ATOM 141 CD LYS A 13 -6.098 17.051 0.313 1.00 0.00 C ATOM 142 CE LYS A 13 -6.463 16.874 -1.152 1.00 0.00 C ATOM 143 NZ LYS A 13 -7.778 17.494 -1.476 1.00 0.00 N ATOM 0 H LYS A 13 -3.681 14.318 1.928 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.739 14.348 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.987 15.639 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.246 15.894 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.426 16.667 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.074 17.767 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.659 16.338 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.389 18.048 0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.688 17.320 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.494 15.811 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.990 17.351 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.522 17.051 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.741 18.513 -1.271 1.00 0.00 H new ATOM 157 N VAL A 14 -3.222 12.409 0.035 1.00 0.00 N ATOM 158 CA VAL A 14 -2.502 11.302 -0.582 1.00 0.00 C ATOM 159 C VAL A 14 -3.395 10.074 -0.721 1.00 0.00 C ATOM 160 O VAL A 14 -4.094 9.692 0.218 1.00 0.00 O ATOM 161 CB VAL A 14 -1.252 10.923 0.234 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.628 10.610 1.674 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.534 9.744 -0.406 1.00 0.00 C ATOM 0 H VAL A 14 -3.087 12.491 1.043 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.194 11.637 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.572 11.775 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.732 10.344 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.093 11.485 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.329 9.775 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.347 9.490 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.205 8.886 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.228 10.010 -1.418 1.00 0.00 H new ATOM 173 N LYS A 15 -3.367 9.459 -1.898 1.00 0.00 N ATOM 174 CA LYS A 15 -4.173 8.273 -2.161 1.00 0.00 C ATOM 175 C LYS A 15 -3.355 7.210 -2.888 1.00 0.00 C ATOM 176 O LYS A 15 -2.240 7.474 -3.341 1.00 0.00 O ATOM 177 CB LYS A 15 -5.404 8.641 -2.993 1.00 0.00 C ATOM 178 CG LYS A 15 -6.312 9.655 -2.319 1.00 0.00 C ATOM 179 CD LYS A 15 -7.573 9.900 -3.129 1.00 0.00 C ATOM 180 CE LYS A 15 -7.283 10.722 -4.376 1.00 0.00 C ATOM 181 NZ LYS A 15 -8.246 10.423 -5.473 1.00 0.00 N ATOM 0 H LYS A 15 -2.794 9.762 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.498 7.866 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.077 9.040 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.975 7.736 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.581 9.299 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.775 10.594 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.014 8.945 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.308 10.418 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.330 11.783 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.268 10.518 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.015 11.003 -6.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.184 9.416 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.212 10.641 -5.156 1.00 0.00 H new ATOM 195 N ILE A 16 -3.916 6.011 -2.998 1.00 0.00 N ATOM 196 CA ILE A 16 -3.239 4.910 -3.672 1.00 0.00 C ATOM 197 C ILE A 16 -4.226 4.058 -4.462 1.00 0.00 C ATOM 198 O ILE A 16 -5.318 3.752 -3.983 1.00 0.00 O ATOM 199 CB ILE A 16 -2.489 4.012 -2.671 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.484 3.243 -1.798 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.553 4.845 -1.808 1.00 0.00 C ATOM 202 CD1 ILE A 16 -2.826 2.276 -0.840 1.00 0.00 C ATOM 0 H ILE A 16 -4.838 5.777 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.518 5.356 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.891 3.292 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.082 3.955 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.171 2.693 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.031 4.195 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.826 5.351 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.131 5.586 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.591 1.767 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.251 1.541 -1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.161 2.822 -0.171 1.00 0.00 H new ATOM 214 N ALA A 17 -3.835 3.679 -5.674 1.00 0.00 N ATOM 215 CA ALA A 17 -4.685 2.859 -6.529 1.00 0.00 C ATOM 216 C ALA A 17 -3.860 1.839 -7.306 1.00 0.00 C ATOM 217 O ALA A 17 -2.737 2.121 -7.722 1.00 0.00 O ATOM 218 CB ALA A 17 -5.476 3.738 -7.486 1.00 0.00 C ATOM 0 H ALA A 17 -2.935 3.926 -6.086 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.382 2.315 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.106 3.112 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.102 4.425 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.788 4.307 -8.110 1.00 0.00 H new ATOM 224 N GLY A 18 -4.424 0.650 -7.497 1.00 0.00 N ATOM 225 CA GLY A 18 -3.726 -0.394 -8.224 1.00 0.00 C ATOM 226 C GLY A 18 -4.214 -1.782 -7.856 1.00 0.00 C ATOM 227 O GLY A 18 -5.089 -1.950 -7.006 1.00 0.00 O ATOM 0 H GLY A 18 -5.352 0.391 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.858 -0.238 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.658 -0.322 -8.021 1.00 0.00 H new ATOM 231 N PRO A 19 -3.641 -2.806 -8.505 1.00 0.00 N ATOM 232 CA PRO A 19 -4.009 -4.204 -8.259 1.00 0.00 C ATOM 233 C PRO A 19 -3.551 -4.691 -6.887 1.00 0.00 C ATOM 234 O PRO A 19 -4.263 -5.434 -6.214 1.00 0.00 O ATOM 235 CB PRO A 19 -3.275 -4.964 -9.367 1.00 0.00 C ATOM 236 CG PRO A 19 -2.120 -4.094 -9.722 1.00 0.00 C ATOM 237 CD PRO A 19 -2.591 -2.679 -9.530 1.00 0.00 C ATOM 0 HA PRO A 19 -5.089 -4.349 -8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.942 -5.943 -9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.923 -5.133 -10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.261 -4.308 -9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.806 -4.264 -10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.782 -2.028 -9.199 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.982 -2.256 -10.456 1.00 0.00 H new ATOM 245 N GLY A 20 -2.359 -4.265 -6.481 1.00 0.00 N ATOM 246 CA GLY A 20 -1.828 -4.667 -5.192 1.00 0.00 C ATOM 247 C GLY A 20 -2.809 -4.428 -4.060 1.00 0.00 C ATOM 248 O GLY A 20 -2.745 -5.089 -3.024 1.00 0.00 O ATOM 0 H GLY A 20 -1.752 -3.649 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.566 -5.725 -5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.908 -4.117 -4.994 1.00 0.00 H new ATOM 252 N LEU A 21 -3.718 -3.479 -4.259 1.00 0.00 N ATOM 253 CA LEU A 21 -4.715 -3.152 -3.246 1.00 0.00 C ATOM 254 C LEU A 21 -6.080 -3.717 -3.624 1.00 0.00 C ATOM 255 O LEU A 21 -6.939 -3.918 -2.767 1.00 0.00 O ATOM 256 CB LEU A 21 -4.811 -1.636 -3.066 1.00 0.00 C ATOM 257 CG LEU A 21 -3.481 -0.884 -2.989 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.638 0.534 -3.515 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.959 -0.870 -1.560 1.00 0.00 C ATOM 0 H LEU A 21 -3.785 -2.923 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.402 -3.604 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.389 -1.228 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.374 -1.433 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.755 -1.403 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.682 1.053 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.966 0.502 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.379 1.064 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.012 -0.331 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.683 -0.375 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.807 -1.894 -1.218 1.00 0.00 H new ATOM 271 N GLY A 22 -6.272 -3.975 -4.914 1.00 0.00 N ATOM 272 CA GLY A 22 -7.534 -4.517 -5.383 1.00 0.00 C ATOM 273 C GLY A 22 -7.881 -5.836 -4.719 1.00 0.00 C ATOM 274 O GLY A 22 -7.102 -6.362 -3.926 1.00 0.00 O ATOM 0 H GLY A 22 -5.576 -3.818 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.329 -3.797 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.486 -4.659 -6.463 1.00 0.00 H new ATOM 278 N SER A 23 -9.054 -6.369 -5.044 1.00 0.00 N ATOM 279 CA SER A 23 -9.505 -7.632 -4.470 1.00 0.00 C ATOM 280 C SER A 23 -9.079 -8.808 -5.343 1.00 0.00 C ATOM 281 O SER A 23 -9.541 -9.934 -5.156 1.00 0.00 O ATOM 282 CB SER A 23 -11.026 -7.627 -4.305 1.00 0.00 C ATOM 283 OG SER A 23 -11.445 -6.556 -3.478 1.00 0.00 O ATOM 0 H SER A 23 -9.709 -5.946 -5.701 1.00 0.00 H new ATOM 0 HA SER A 23 -9.042 -7.744 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.501 -7.543 -5.283 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.351 -8.573 -3.873 1.00 0.00 H new ATOM 0 HG SER A 23 -12.421 -6.573 -3.389 1.00 0.00 H new ATOM 289 N GLY A 24 -8.196 -8.538 -6.300 1.00 0.00 N ATOM 290 CA GLY A 24 -7.723 -9.584 -7.188 1.00 0.00 C ATOM 291 C GLY A 24 -6.255 -9.899 -6.983 1.00 0.00 C ATOM 292 O GLY A 24 -5.492 -9.996 -7.944 1.00 0.00 O ATOM 0 H GLY A 24 -7.800 -7.615 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.311 -10.487 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.885 -9.279 -8.222 1.00 0.00 H new ATOM 296 N VAL A 25 -5.856 -10.059 -5.724 1.00 0.00 N ATOM 297 CA VAL A 25 -4.469 -10.364 -5.395 1.00 0.00 C ATOM 298 C VAL A 25 -4.278 -11.857 -5.151 1.00 0.00 C ATOM 299 O VAL A 25 -5.107 -12.502 -4.509 1.00 0.00 O ATOM 300 CB VAL A 25 -4.004 -9.588 -4.149 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.616 -10.043 -3.723 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.023 -8.090 -4.418 1.00 0.00 C ATOM 0 H VAL A 25 -6.474 -9.982 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.866 -10.058 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.695 -9.797 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.304 -9.483 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.638 -11.107 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.910 -9.865 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.692 -7.556 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.355 -7.861 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.036 -7.779 -4.672 1.00 0.00 H new ATOM 312 N ARG A 26 -3.180 -12.400 -5.667 1.00 0.00 N ATOM 313 CA ARG A 26 -2.880 -13.818 -5.504 1.00 0.00 C ATOM 314 C ARG A 26 -1.569 -14.013 -4.748 1.00 0.00 C ATOM 315 O ARG A 26 -0.640 -13.218 -4.881 1.00 0.00 O ATOM 316 CB ARG A 26 -2.802 -14.503 -6.870 1.00 0.00 C ATOM 317 CG ARG A 26 -4.088 -14.412 -7.673 1.00 0.00 C ATOM 318 CD ARG A 26 -4.136 -15.463 -8.770 1.00 0.00 C ATOM 319 NE ARG A 26 -5.292 -15.289 -9.645 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.362 -14.364 -10.596 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.347 -13.534 -10.793 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.449 -14.267 -11.352 1.00 0.00 N ATOM 0 H ARG A 26 -2.484 -11.880 -6.201 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.684 -14.271 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.992 -14.055 -7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.547 -15.553 -6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.943 -14.539 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.173 -13.419 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.222 -15.411 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.168 -16.455 -8.320 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.090 -15.912 -9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.510 -13.605 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.403 -12.825 -11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.232 -14.903 -11.203 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.501 -13.556 -12.082 1.00 0.00 H new ATOM 336 N ALA A 27 -1.504 -15.077 -3.954 1.00 0.00 N ATOM 337 CA ALA A 27 -0.308 -15.379 -3.177 1.00 0.00 C ATOM 338 C ALA A 27 0.858 -15.747 -4.088 1.00 0.00 C ATOM 339 O ALA A 27 0.661 -16.266 -5.187 1.00 0.00 O ATOM 340 CB ALA A 27 -0.587 -16.503 -2.192 1.00 0.00 C ATOM 0 H ALA A 27 -2.266 -15.744 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.031 -14.484 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.315 -16.717 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.385 -16.202 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.892 -17.397 -2.737 1.00 0.00 H new ATOM 346 N ARG A 28 2.074 -15.477 -3.624 1.00 0.00 N ATOM 347 CA ARG A 28 3.272 -15.778 -4.397 1.00 0.00 C ATOM 348 C ARG A 28 3.219 -15.106 -5.766 1.00 0.00 C ATOM 349 O ARG A 28 3.689 -15.661 -6.760 1.00 0.00 O ATOM 350 CB ARG A 28 3.429 -17.291 -4.565 1.00 0.00 C ATOM 351 CG ARG A 28 3.660 -18.029 -3.257 1.00 0.00 C ATOM 352 CD ARG A 28 4.424 -19.325 -3.475 1.00 0.00 C ATOM 353 NE ARG A 28 4.438 -20.161 -2.278 1.00 0.00 N ATOM 354 CZ ARG A 28 5.226 -21.221 -2.130 1.00 0.00 C ATOM 355 NH1 ARG A 28 6.060 -21.570 -3.099 1.00 0.00 N ATOM 356 NH2 ARG A 28 5.180 -21.932 -1.011 1.00 0.00 N ATOM 0 H ARG A 28 2.255 -15.050 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 28 4.133 -15.388 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.535 -17.689 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.265 -17.489 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.215 -17.390 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.701 -18.246 -2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.972 -19.878 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.448 -19.097 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 28 3.808 -19.918 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.098 -21.025 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.664 -22.384 -2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.539 -21.665 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.785 -22.745 -0.898 1.00 0.00 H new ATOM 370 N VAL A 29 2.644 -13.909 -5.810 1.00 0.00 N ATOM 371 CA VAL A 29 2.530 -13.161 -7.056 1.00 0.00 C ATOM 372 C VAL A 29 3.055 -11.738 -6.893 1.00 0.00 C ATOM 373 O VAL A 29 3.062 -11.190 -5.790 1.00 0.00 O ATOM 374 CB VAL A 29 1.071 -13.105 -7.545 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.945 -12.177 -8.744 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.569 -14.500 -7.886 1.00 0.00 C ATOM 0 H VAL A 29 2.250 -13.436 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 29 3.134 -13.685 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 29 0.452 -12.707 -6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.093 -12.150 -9.076 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.262 -11.173 -8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.576 -12.542 -9.555 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.464 -14.441 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.190 -14.928 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.621 -15.132 -7.000 1.00 0.00 H new ATOM 386 N LEU A 30 3.494 -11.146 -7.998 1.00 0.00 N ATOM 387 CA LEU A 30 4.021 -9.786 -7.979 1.00 0.00 C ATOM 388 C LEU A 30 2.891 -8.766 -7.876 1.00 0.00 C ATOM 389 O LEU A 30 2.102 -8.604 -8.805 1.00 0.00 O ATOM 390 CB LEU A 30 4.848 -9.521 -9.237 1.00 0.00 C ATOM 391 CG LEU A 30 5.575 -8.176 -9.293 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.887 -8.247 -8.526 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.820 -7.761 -10.736 1.00 0.00 C ATOM 0 H LEU A 30 3.496 -11.586 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 30 4.661 -9.683 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.588 -10.315 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.189 -9.591 -10.102 1.00 0.00 H new ATOM 0 HG LEU A 30 4.943 -7.423 -8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.391 -7.282 -8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.686 -8.498 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.525 -9.013 -8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.338 -6.802 -10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.432 -8.514 -11.232 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.866 -7.669 -11.255 1.00 0.00 H new ATOM 405 N GLN A 31 2.824 -8.079 -6.739 1.00 0.00 N ATOM 406 CA GLN A 31 1.792 -7.073 -6.515 1.00 0.00 C ATOM 407 C GLN A 31 2.403 -5.680 -6.414 1.00 0.00 C ATOM 408 O GLN A 31 3.328 -5.452 -5.635 1.00 0.00 O ATOM 409 CB GLN A 31 1.007 -7.393 -5.242 1.00 0.00 C ATOM 410 CG GLN A 31 0.439 -8.803 -5.214 1.00 0.00 C ATOM 411 CD GLN A 31 -0.674 -9.005 -6.224 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.267 -8.042 -6.711 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.962 -10.260 -6.544 1.00 0.00 N ATOM 0 H GLN A 31 3.471 -8.201 -5.960 1.00 0.00 H new ATOM 0 HA GLN A 31 1.112 -7.090 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.659 -7.256 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.190 -6.679 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.239 -9.517 -5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.061 -9.018 -4.215 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.444 -11.027 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.701 -10.458 -7.219 1.00 0.00 H new ATOM 422 N SER A 32 1.880 -4.751 -7.209 1.00 0.00 N ATOM 423 CA SER A 32 2.376 -3.380 -7.211 1.00 0.00 C ATOM 424 C SER A 32 1.229 -2.387 -7.378 1.00 0.00 C ATOM 425 O SER A 32 0.187 -2.715 -7.944 1.00 0.00 O ATOM 426 CB SER A 32 3.398 -3.188 -8.333 1.00 0.00 C ATOM 427 OG SER A 32 4.067 -1.945 -8.208 1.00 0.00 O ATOM 0 H SER A 32 1.113 -4.923 -7.859 1.00 0.00 H new ATOM 0 HA SER A 32 2.859 -3.193 -6.252 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.125 -4.000 -8.309 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.896 -3.238 -9.299 1.00 0.00 H new ATOM 0 HG SER A 32 4.716 -1.848 -8.936 1.00 0.00 H new ATOM 433 N PHE A 33 1.432 -1.172 -6.881 1.00 0.00 N ATOM 434 CA PHE A 33 0.416 -0.129 -6.973 1.00 0.00 C ATOM 435 C PHE A 33 1.058 1.252 -7.053 1.00 0.00 C ATOM 436 O PHE A 33 2.279 1.387 -6.967 1.00 0.00 O ATOM 437 CB PHE A 33 -0.526 -0.197 -5.769 1.00 0.00 C ATOM 438 CG PHE A 33 0.192 -0.248 -4.450 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.867 -1.393 -4.057 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.190 0.848 -3.603 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.528 -1.442 -2.844 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.851 0.805 -2.389 1.00 0.00 C ATOM 443 CZ PHE A 33 1.519 -0.342 -2.009 1.00 0.00 C ATOM 0 H PHE A 33 2.290 -0.885 -6.410 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.158 -0.296 -7.885 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.184 0.672 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.160 -1.078 -5.863 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.877 -2.256 -4.706 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.334 1.747 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.051 -2.340 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.845 1.668 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.034 -0.379 -1.060 1.00 0.00 H new ATOM 453 N THR A 34 0.228 2.276 -7.219 1.00 0.00 N ATOM 454 CA THR A 34 0.713 3.648 -7.313 1.00 0.00 C ATOM 455 C THR A 34 0.236 4.482 -6.130 1.00 0.00 C ATOM 456 O THR A 34 -0.918 4.382 -5.712 1.00 0.00 O ATOM 457 CB THR A 34 0.253 4.319 -8.620 1.00 0.00 C ATOM 458 OG1 THR A 34 0.759 3.596 -9.747 1.00 0.00 O ATOM 459 CG2 THR A 34 0.727 5.763 -8.683 1.00 0.00 C ATOM 0 H THR A 34 -0.785 2.182 -7.291 1.00 0.00 H new ATOM 0 HA THR A 34 1.802 3.599 -7.303 1.00 0.00 H new ATOM 0 HB THR A 34 -0.837 4.310 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.460 4.029 -10.574 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.390 6.216 -9.615 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.315 6.318 -7.840 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.816 5.791 -8.639 1.00 0.00 H new ATOM 467 N VAL A 35 1.130 5.306 -5.594 1.00 0.00 N ATOM 468 CA VAL A 35 0.798 6.161 -4.459 1.00 0.00 C ATOM 469 C VAL A 35 0.919 7.634 -4.828 1.00 0.00 C ATOM 470 O VAL A 35 2.023 8.160 -4.976 1.00 0.00 O ATOM 471 CB VAL A 35 1.709 5.868 -3.252 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.312 6.729 -2.062 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.659 4.391 -2.891 1.00 0.00 C ATOM 0 H VAL A 35 2.090 5.400 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.235 5.942 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 35 2.734 6.117 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.966 6.508 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.405 7.782 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.280 6.514 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.309 4.203 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.636 4.113 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.996 3.797 -3.741 1.00 0.00 H new ATOM 483 N ASP A 36 -0.223 8.297 -4.973 1.00 0.00 N ATOM 484 CA ASP A 36 -0.247 9.713 -5.323 1.00 0.00 C ATOM 485 C ASP A 36 -0.128 10.583 -4.076 1.00 0.00 C ATOM 486 O ASP A 36 -1.046 10.641 -3.257 1.00 0.00 O ATOM 487 CB ASP A 36 -1.533 10.053 -6.076 1.00 0.00 C ATOM 488 CG ASP A 36 -1.538 11.475 -6.602 1.00 0.00 C ATOM 489 OD1 ASP A 36 -1.819 12.399 -5.811 1.00 0.00 O ATOM 490 OD2 ASP A 36 -1.263 11.664 -7.805 1.00 0.00 O ATOM 0 H ASP A 36 -1.145 7.877 -4.854 1.00 0.00 H new ATOM 0 HA ASP A 36 0.607 9.916 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.657 9.360 -6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.387 9.911 -5.413 1.00 0.00 H new ATOM 495 N SER A 37 1.008 11.257 -3.936 1.00 0.00 N ATOM 496 CA SER A 37 1.249 12.121 -2.786 1.00 0.00 C ATOM 497 C SER A 37 1.622 13.531 -3.233 1.00 0.00 C ATOM 498 O SER A 37 2.300 14.264 -2.514 1.00 0.00 O ATOM 499 CB SER A 37 2.361 11.541 -1.910 1.00 0.00 C ATOM 500 OG SER A 37 3.619 11.628 -2.557 1.00 0.00 O ATOM 0 H SER A 37 1.777 11.222 -4.605 1.00 0.00 H new ATOM 0 HA SER A 37 0.328 12.175 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.398 12.078 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.139 10.499 -1.678 1.00 0.00 H new ATOM 0 HG SER A 37 4.283 11.113 -2.052 1.00 0.00 H new ATOM 506 N SER A 38 1.174 13.904 -4.428 1.00 0.00 N ATOM 507 CA SER A 38 1.463 15.224 -4.975 1.00 0.00 C ATOM 508 C SER A 38 0.604 16.291 -4.303 1.00 0.00 C ATOM 509 O SER A 38 1.050 17.416 -4.082 1.00 0.00 O ATOM 510 CB SER A 38 1.222 15.238 -6.486 1.00 0.00 C ATOM 511 OG SER A 38 1.572 16.491 -7.047 1.00 0.00 O ATOM 0 H SER A 38 0.609 13.310 -5.036 1.00 0.00 H new ATOM 0 HA SER A 38 2.511 15.449 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.807 14.449 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.173 15.024 -6.692 1.00 0.00 H new ATOM 0 HG SER A 38 1.410 16.473 -8.013 1.00 0.00 H new ATOM 517 N LYS A 39 -0.633 15.927 -3.979 1.00 0.00 N ATOM 518 CA LYS A 39 -1.556 16.851 -3.330 1.00 0.00 C ATOM 519 C LYS A 39 -1.297 16.914 -1.828 1.00 0.00 C ATOM 520 O LYS A 39 -1.715 17.857 -1.156 1.00 0.00 O ATOM 521 CB LYS A 39 -3.003 16.424 -3.591 1.00 0.00 C ATOM 522 CG LYS A 39 -3.463 16.672 -5.016 1.00 0.00 C ATOM 523 CD LYS A 39 -4.066 18.058 -5.174 1.00 0.00 C ATOM 524 CE LYS A 39 -2.996 19.104 -5.446 1.00 0.00 C ATOM 525 NZ LYS A 39 -3.544 20.284 -6.169 1.00 0.00 N ATOM 0 H LYS A 39 -1.019 14.999 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.394 17.843 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.106 15.363 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.660 16.961 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.618 16.562 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.199 15.919 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.786 18.051 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.614 18.323 -4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.557 19.428 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.194 18.658 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.783 20.973 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.940 19.979 -7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.292 20.725 -5.597 1.00 0.00 H new ATOM 539 N ALA A 40 -0.604 15.907 -1.309 1.00 0.00 N ATOM 540 CA ALA A 40 -0.285 15.852 0.113 1.00 0.00 C ATOM 541 C ALA A 40 0.833 16.828 0.464 1.00 0.00 C ATOM 542 O ALA A 40 0.795 17.481 1.505 1.00 0.00 O ATOM 543 CB ALA A 40 0.103 14.436 0.511 1.00 0.00 C ATOM 0 H ALA A 40 -0.252 15.118 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.174 16.145 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.339 14.409 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.727 13.760 0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.976 14.123 -0.062 1.00 0.00 H new ATOM 549 N GLY A 41 1.828 16.920 -0.414 1.00 0.00 N ATOM 550 CA GLY A 41 2.944 17.818 -0.177 1.00 0.00 C ATOM 551 C GLY A 41 4.278 17.191 -0.531 1.00 0.00 C ATOM 552 O GLY A 41 4.392 16.479 -1.530 1.00 0.00 O ATOM 0 H GLY A 41 1.881 16.390 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.806 18.727 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.952 18.114 0.872 1.00 0.00 H new ATOM 556 N LEU A 42 5.290 17.457 0.287 1.00 0.00 N ATOM 557 CA LEU A 42 6.625 16.915 0.055 1.00 0.00 C ATOM 558 C LEU A 42 7.037 15.980 1.187 1.00 0.00 C ATOM 559 O LEU A 42 8.217 15.667 1.348 1.00 0.00 O ATOM 560 CB LEU A 42 7.641 18.049 -0.082 1.00 0.00 C ATOM 561 CG LEU A 42 7.290 19.354 0.634 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.173 20.082 -0.097 1.00 0.00 C ATOM 563 CD2 LEU A 42 6.896 19.080 2.078 1.00 0.00 C ATOM 0 H LEU A 42 5.212 18.045 1.117 1.00 0.00 H new ATOM 0 HA LEU A 42 6.602 16.343 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.601 17.697 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.775 18.264 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 42 8.172 19.994 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.938 21.008 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.493 20.312 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.287 19.448 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.649 20.020 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.029 18.420 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.727 18.604 2.598 1.00 0.00 H new ATOM 575 N ALA A 43 6.058 15.537 1.969 1.00 0.00 N ATOM 576 CA ALA A 43 6.319 14.635 3.084 1.00 0.00 C ATOM 577 C ALA A 43 6.585 13.217 2.591 1.00 0.00 C ATOM 578 O ALA A 43 6.091 12.794 1.546 1.00 0.00 O ATOM 579 CB ALA A 43 5.150 14.647 4.057 1.00 0.00 C ATOM 0 H ALA A 43 5.077 15.788 1.851 1.00 0.00 H new ATOM 0 HA ALA A 43 7.212 14.985 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.358 13.969 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.008 15.657 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.245 14.324 3.542 1.00 0.00 H new ATOM 585 N PRO A 44 7.385 12.463 3.361 1.00 0.00 N ATOM 586 CA PRO A 44 7.735 11.079 3.022 1.00 0.00 C ATOM 587 C PRO A 44 6.547 10.132 3.157 1.00 0.00 C ATOM 588 O PRO A 44 5.516 10.489 3.729 1.00 0.00 O ATOM 589 CB PRO A 44 8.818 10.728 4.045 1.00 0.00 C ATOM 590 CG PRO A 44 8.553 11.627 5.203 1.00 0.00 C ATOM 591 CD PRO A 44 8.007 12.902 4.621 1.00 0.00 C ATOM 0 HA PRO A 44 8.060 10.981 1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.761 9.679 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.815 10.892 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.839 11.176 5.892 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.466 11.815 5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.281 13.369 5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.796 13.634 4.446 1.00 0.00 H new ATOM 599 N LEU A 45 6.699 8.923 2.627 1.00 0.00 N ATOM 600 CA LEU A 45 5.638 7.923 2.689 1.00 0.00 C ATOM 601 C LEU A 45 6.164 6.606 3.249 1.00 0.00 C ATOM 602 O LEU A 45 7.196 6.101 2.808 1.00 0.00 O ATOM 603 CB LEU A 45 5.041 7.697 1.299 1.00 0.00 C ATOM 604 CG LEU A 45 4.023 6.564 1.181 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.642 7.040 1.604 1.00 0.00 C ATOM 606 CD2 LEU A 45 3.989 6.022 -0.240 1.00 0.00 C ATOM 0 H LEU A 45 7.545 8.612 2.150 1.00 0.00 H new ATOM 0 HA LEU A 45 4.860 8.295 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.564 8.622 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.857 7.499 0.603 1.00 0.00 H new ATOM 0 HG LEU A 45 4.328 5.758 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.931 6.219 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.675 7.378 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.329 7.864 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.258 5.216 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.710 6.821 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.974 5.641 -0.508 1.00 0.00 H new ATOM 618 N GLU A 46 5.446 6.053 4.222 1.00 0.00 N ATOM 619 CA GLU A 46 5.841 4.793 4.841 1.00 0.00 C ATOM 620 C GLU A 46 4.856 3.682 4.490 1.00 0.00 C ATOM 621 O GLU A 46 3.676 3.938 4.249 1.00 0.00 O ATOM 622 CB GLU A 46 5.930 4.951 6.361 1.00 0.00 C ATOM 623 CG GLU A 46 6.840 3.933 7.026 1.00 0.00 C ATOM 624 CD GLU A 46 7.337 4.394 8.383 1.00 0.00 C ATOM 625 OE1 GLU A 46 6.506 4.865 9.189 1.00 0.00 O ATOM 626 OE2 GLU A 46 8.553 4.285 8.639 1.00 0.00 O ATOM 0 H GLU A 46 4.589 6.457 4.598 1.00 0.00 H new ATOM 0 HA GLU A 46 6.823 4.520 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.289 5.954 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.930 4.864 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.303 2.991 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.694 3.736 6.378 1.00 0.00 H new ATOM 633 N VAL A 47 5.349 2.448 4.464 1.00 0.00 N ATOM 634 CA VAL A 47 4.513 1.298 4.143 1.00 0.00 C ATOM 635 C VAL A 47 4.868 0.100 5.017 1.00 0.00 C ATOM 636 O VAL A 47 6.014 -0.058 5.436 1.00 0.00 O ATOM 637 CB VAL A 47 4.653 0.897 2.661 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.736 -0.271 2.335 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.358 2.086 1.759 1.00 0.00 C ATOM 0 H VAL A 47 6.323 2.219 4.661 1.00 0.00 H new ATOM 0 HA VAL A 47 3.482 1.593 4.336 1.00 0.00 H new ATOM 0 HB VAL A 47 5.681 0.581 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.849 -0.540 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.999 -1.125 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.702 0.014 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.461 1.786 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.341 2.434 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.060 2.891 1.976 1.00 0.00 H new ATOM 649 N ARG A 48 3.876 -0.741 5.289 1.00 0.00 N ATOM 650 CA ARG A 48 4.082 -1.926 6.115 1.00 0.00 C ATOM 651 C ARG A 48 3.087 -3.023 5.750 1.00 0.00 C ATOM 652 O ARG A 48 1.928 -2.747 5.438 1.00 0.00 O ATOM 653 CB ARG A 48 3.946 -1.570 7.596 1.00 0.00 C ATOM 654 CG ARG A 48 3.723 -2.776 8.494 1.00 0.00 C ATOM 655 CD ARG A 48 4.155 -2.493 9.924 1.00 0.00 C ATOM 656 NE ARG A 48 3.067 -1.940 10.726 1.00 0.00 N ATOM 657 CZ ARG A 48 2.747 -0.651 10.740 1.00 0.00 C ATOM 658 NH1 ARG A 48 3.427 0.213 10.000 1.00 0.00 N ATOM 659 NH2 ARG A 48 1.742 -0.224 11.495 1.00 0.00 N ATOM 0 H ARG A 48 2.921 -0.624 4.950 1.00 0.00 H new ATOM 0 HA ARG A 48 5.090 -2.298 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.846 -1.048 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.114 -0.877 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.669 -3.052 8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.281 -3.628 8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.512 -3.415 10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.992 -1.795 9.918 1.00 0.00 H new ATOM 0 HE ARG A 48 2.523 -2.578 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.199 -0.111 9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.178 1.202 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.215 -0.886 12.065 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.497 0.766 11.505 1.00 0.00 H new ATOM 673 N VAL A 49 3.546 -4.269 5.791 1.00 0.00 N ATOM 674 CA VAL A 49 2.697 -5.409 5.466 1.00 0.00 C ATOM 675 C VAL A 49 2.558 -6.348 6.659 1.00 0.00 C ATOM 676 O VAL A 49 3.550 -6.859 7.181 1.00 0.00 O ATOM 677 CB VAL A 49 3.253 -6.198 4.267 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.344 -7.372 3.933 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.424 -5.287 3.062 1.00 0.00 C ATOM 0 H VAL A 49 4.502 -4.515 6.046 1.00 0.00 H new ATOM 0 HA VAL A 49 1.717 -5.010 5.206 1.00 0.00 H new ATOM 0 HB VAL A 49 4.233 -6.592 4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.753 -7.918 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.278 -8.037 4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.350 -7.002 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.818 -5.862 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.459 -4.861 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.118 -4.484 3.309 1.00 0.00 H new ATOM 689 N LEU A 50 1.320 -6.573 7.086 1.00 0.00 N ATOM 690 CA LEU A 50 1.050 -7.453 8.218 1.00 0.00 C ATOM 691 C LEU A 50 0.363 -8.735 7.759 1.00 0.00 C ATOM 692 O LEU A 50 -0.638 -8.694 7.046 1.00 0.00 O ATOM 693 CB LEU A 50 0.178 -6.735 9.251 1.00 0.00 C ATOM 694 CG LEU A 50 0.925 -5.966 10.341 1.00 0.00 C ATOM 695 CD1 LEU A 50 1.611 -6.929 11.297 1.00 0.00 C ATOM 696 CD2 LEU A 50 1.937 -5.012 9.725 1.00 0.00 C ATOM 0 H LEU A 50 0.488 -6.159 6.666 1.00 0.00 H new ATOM 0 HA LEU A 50 2.003 -7.717 8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.474 -6.038 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.465 -7.473 9.731 1.00 0.00 H new ATOM 0 HG LEU A 50 0.201 -5.379 10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.138 -6.364 12.066 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.864 -7.571 11.765 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.323 -7.543 10.746 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.458 -4.474 10.517 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.658 -5.578 9.135 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.421 -4.300 9.081 1.00 0.00 H new ATOM 708 N GLY A 51 0.908 -9.874 8.176 1.00 0.00 N ATOM 709 CA GLY A 51 0.334 -11.153 7.800 1.00 0.00 C ATOM 710 C GLY A 51 -0.993 -11.417 8.484 1.00 0.00 C ATOM 711 O GLY A 51 -1.358 -10.751 9.455 1.00 0.00 O ATOM 0 H GLY A 51 1.737 -9.934 8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.194 -11.181 6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.034 -11.950 8.052 1.00 0.00 H new ATOM 715 N PRO A 52 -1.740 -12.407 7.976 1.00 0.00 N ATOM 716 CA PRO A 52 -3.045 -12.779 8.529 1.00 0.00 C ATOM 717 C PRO A 52 -2.928 -13.439 9.898 1.00 0.00 C ATOM 718 O PRO A 52 -3.855 -13.384 10.705 1.00 0.00 O ATOM 719 CB PRO A 52 -3.596 -13.772 7.502 1.00 0.00 C ATOM 720 CG PRO A 52 -2.388 -14.344 6.843 1.00 0.00 C ATOM 721 CD PRO A 52 -1.366 -13.241 6.821 1.00 0.00 C ATOM 0 HA PRO A 52 -3.683 -11.910 8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.191 -14.549 7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.244 -13.276 6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.017 -15.209 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.618 -14.683 5.833 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.352 -13.630 6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.403 -12.677 5.889 1.00 0.00 H new ATOM 729 N ARG A 53 -1.783 -14.063 10.152 1.00 0.00 N ATOM 730 CA ARG A 53 -1.545 -14.735 11.424 1.00 0.00 C ATOM 731 C ARG A 53 -0.296 -14.184 12.105 1.00 0.00 C ATOM 732 O ARG A 53 0.109 -14.663 13.164 1.00 0.00 O ATOM 733 CB ARG A 53 -1.398 -16.242 11.210 1.00 0.00 C ATOM 734 CG ARG A 53 -0.901 -16.615 9.823 1.00 0.00 C ATOM 735 CD ARG A 53 0.538 -16.174 9.609 1.00 0.00 C ATOM 736 NE ARG A 53 1.449 -16.792 10.569 1.00 0.00 N ATOM 737 CZ ARG A 53 2.744 -16.973 10.342 1.00 0.00 C ATOM 738 NH1 ARG A 53 3.279 -16.585 9.193 1.00 0.00 N ATOM 739 NH2 ARG A 53 3.508 -17.543 11.265 1.00 0.00 N ATOM 0 H ARG A 53 -1.005 -14.117 9.494 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.403 -14.548 12.070 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.707 -16.640 11.953 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.362 -16.721 11.382 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.976 -17.694 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.540 -16.153 9.070 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.849 -16.431 8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.601 -15.089 9.696 1.00 0.00 H new ATOM 0 HE ARG A 53 1.069 -17.102 11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.695 -16.146 8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.275 -16.725 9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.100 -17.843 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.503 -17.681 11.089 1.00 0.00 H new ATOM 753 N GLY A 54 0.310 -13.172 11.490 1.00 0.00 N ATOM 754 CA GLY A 54 1.507 -12.573 12.051 1.00 0.00 C ATOM 755 C GLY A 54 2.743 -12.859 11.220 1.00 0.00 C ATOM 756 O GLY A 54 3.660 -13.543 11.675 1.00 0.00 O ATOM 0 H GLY A 54 -0.007 -12.757 10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.367 -11.495 12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.658 -12.950 13.063 1.00 0.00 H new ATOM 760 N LEU A 55 2.767 -12.336 9.999 1.00 0.00 N ATOM 761 CA LEU A 55 3.898 -12.540 9.102 1.00 0.00 C ATOM 762 C LEU A 55 4.525 -11.207 8.705 1.00 0.00 C ATOM 763 O LEU A 55 3.837 -10.193 8.598 1.00 0.00 O ATOM 764 CB LEU A 55 3.452 -13.300 7.851 1.00 0.00 C ATOM 765 CG LEU A 55 4.555 -13.658 6.855 1.00 0.00 C ATOM 766 CD1 LEU A 55 5.571 -14.592 7.495 1.00 0.00 C ATOM 767 CD2 LEU A 55 3.960 -14.292 5.606 1.00 0.00 C ATOM 0 H LEU A 55 2.016 -11.768 9.608 1.00 0.00 H new ATOM 0 HA LEU A 55 4.647 -13.130 9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.961 -14.221 8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.703 -12.700 7.333 1.00 0.00 H new ATOM 0 HG LEU A 55 5.067 -12.741 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.348 -14.836 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.021 -14.103 8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.073 -15.507 7.814 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.759 -14.540 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.422 -15.200 5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.272 -13.591 5.135 1.00 0.00 H new ATOM 779 N VAL A 56 5.837 -11.218 8.484 1.00 0.00 N ATOM 780 CA VAL A 56 6.556 -10.012 8.095 1.00 0.00 C ATOM 781 C VAL A 56 7.036 -10.100 6.651 1.00 0.00 C ATOM 782 O VAL A 56 7.822 -10.979 6.300 1.00 0.00 O ATOM 783 CB VAL A 56 7.767 -9.761 9.012 1.00 0.00 C ATOM 784 CG1 VAL A 56 8.503 -8.497 8.592 1.00 0.00 C ATOM 785 CG2 VAL A 56 7.326 -9.673 10.465 1.00 0.00 C ATOM 0 H VAL A 56 6.422 -12.049 8.568 1.00 0.00 H new ATOM 0 HA VAL A 56 5.857 -9.181 8.192 1.00 0.00 H new ATOM 0 HB VAL A 56 8.454 -10.602 8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.356 -8.336 9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.854 -8.604 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.828 -7.644 8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.195 -9.495 11.099 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.618 -8.852 10.581 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.849 -10.608 10.758 1.00 0.00 H new ATOM 795 N GLU A 57 6.556 -9.183 5.816 1.00 0.00 N ATOM 796 CA GLU A 57 6.936 -9.157 4.409 1.00 0.00 C ATOM 797 C GLU A 57 7.596 -7.829 4.047 1.00 0.00 C ATOM 798 O GLU A 57 7.202 -6.763 4.518 1.00 0.00 O ATOM 799 CB GLU A 57 5.710 -9.388 3.523 1.00 0.00 C ATOM 800 CG GLU A 57 5.100 -10.771 3.676 1.00 0.00 C ATOM 801 CD GLU A 57 4.331 -11.210 2.446 1.00 0.00 C ATOM 802 OE1 GLU A 57 4.484 -10.561 1.389 1.00 0.00 O ATOM 803 OE2 GLU A 57 3.577 -12.200 2.538 1.00 0.00 O ATOM 0 H GLU A 57 5.903 -8.449 6.090 1.00 0.00 H new ATOM 0 HA GLU A 57 7.655 -9.958 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.955 -8.639 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.992 -9.238 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.891 -11.492 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.433 -10.776 4.538 1.00 0.00 H new ATOM 810 N PRO A 58 8.627 -7.895 3.191 1.00 0.00 N ATOM 811 CA PRO A 58 9.363 -6.709 2.747 1.00 0.00 C ATOM 812 C PRO A 58 8.531 -5.819 1.830 1.00 0.00 C ATOM 813 O PRO A 58 7.455 -6.210 1.377 1.00 0.00 O ATOM 814 CB PRO A 58 10.554 -7.296 1.984 1.00 0.00 C ATOM 815 CG PRO A 58 10.088 -8.634 1.525 1.00 0.00 C ATOM 816 CD PRO A 58 9.150 -9.133 2.590 1.00 0.00 C ATOM 0 HA PRO A 58 9.647 -6.070 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.835 -6.664 1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.432 -7.381 2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.582 -8.562 0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.928 -9.316 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.352 -9.743 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.668 -9.749 3.325 1.00 0.00 H new ATOM 824 N VAL A 59 9.035 -4.619 1.560 1.00 0.00 N ATOM 825 CA VAL A 59 8.339 -3.673 0.696 1.00 0.00 C ATOM 826 C VAL A 59 9.323 -2.867 -0.143 1.00 0.00 C ATOM 827 O VAL A 59 10.514 -2.814 0.160 1.00 0.00 O ATOM 828 CB VAL A 59 7.464 -2.704 1.514 1.00 0.00 C ATOM 829 CG1 VAL A 59 6.273 -3.435 2.114 1.00 0.00 C ATOM 830 CG2 VAL A 59 8.291 -2.032 2.601 1.00 0.00 C ATOM 0 H VAL A 59 9.924 -4.279 1.928 1.00 0.00 H new ATOM 0 HA VAL A 59 7.700 -4.259 0.036 1.00 0.00 H new ATOM 0 HB VAL A 59 7.084 -1.931 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.667 -2.734 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.670 -3.866 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.627 -4.230 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.659 -1.350 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.700 -2.791 3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.107 -1.473 2.144 1.00 0.00 H new ATOM 840 N ASN A 60 8.816 -2.240 -1.200 1.00 0.00 N ATOM 841 CA ASN A 60 9.652 -1.436 -2.084 1.00 0.00 C ATOM 842 C ASN A 60 9.099 -0.020 -2.218 1.00 0.00 C ATOM 843 O ASN A 60 7.886 0.180 -2.286 1.00 0.00 O ATOM 844 CB ASN A 60 9.747 -2.091 -3.465 1.00 0.00 C ATOM 845 CG ASN A 60 10.723 -1.375 -4.378 1.00 0.00 C ATOM 846 OD1 ASN A 60 10.195 -0.658 -5.363 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.938 -1.465 -4.199 1.00 0.00 N flip ATOM 0 H ASN A 60 7.832 -2.273 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 60 10.649 -1.378 -1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.056 -3.130 -3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.760 -2.101 -3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.300 -2.027 -3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.583 -0.977 -4.821 1.00 0.00 H new ATOM 854 N VAL A 61 9.996 0.958 -2.255 1.00 0.00 N ATOM 855 CA VAL A 61 9.599 2.356 -2.381 1.00 0.00 C ATOM 856 C VAL A 61 10.435 3.072 -3.435 1.00 0.00 C ATOM 857 O VAL A 61 11.630 3.298 -3.247 1.00 0.00 O ATOM 858 CB VAL A 61 9.734 3.102 -1.040 1.00 0.00 C ATOM 859 CG1 VAL A 61 11.127 2.907 -0.460 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.425 4.580 -1.220 1.00 0.00 C ATOM 0 H VAL A 61 11.004 0.809 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 61 8.553 2.361 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 61 9.012 2.686 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.205 3.441 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.306 1.845 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.869 3.296 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.525 5.092 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 61 10.122 5.013 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.406 4.696 -1.589 1.00 0.00 H new ATOM 870 N VAL A 62 9.799 3.427 -4.547 1.00 0.00 N ATOM 871 CA VAL A 62 10.484 4.120 -5.632 1.00 0.00 C ATOM 872 C VAL A 62 9.603 5.211 -6.229 1.00 0.00 C ATOM 873 O VAL A 62 8.549 4.930 -6.800 1.00 0.00 O ATOM 874 CB VAL A 62 10.898 3.142 -6.748 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.595 3.885 -7.878 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.793 2.045 -6.189 1.00 0.00 C ATOM 0 H VAL A 62 8.810 3.246 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 62 11.379 4.573 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 62 9.999 2.676 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.880 3.178 -8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.918 4.631 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.487 4.379 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 62 12.076 1.363 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.689 2.491 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.255 1.494 -5.417 1.00 0.00 H new ATOM 886 N ASP A 63 10.043 6.458 -6.095 1.00 0.00 N ATOM 887 CA ASP A 63 9.296 7.593 -6.623 1.00 0.00 C ATOM 888 C ASP A 63 9.279 7.571 -8.148 1.00 0.00 C ATOM 889 O ASP A 63 10.289 7.273 -8.785 1.00 0.00 O ATOM 890 CB ASP A 63 9.902 8.906 -6.125 1.00 0.00 C ATOM 891 CG ASP A 63 9.235 10.121 -6.740 1.00 0.00 C ATOM 892 OD1 ASP A 63 9.678 10.559 -7.822 1.00 0.00 O ATOM 893 OD2 ASP A 63 8.269 10.636 -6.137 1.00 0.00 O ATOM 0 H ASP A 63 10.913 6.708 -5.625 1.00 0.00 H new ATOM 0 HA ASP A 63 8.269 7.518 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.812 8.956 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.967 8.923 -6.358 1.00 0.00 H new ATOM 898 N ASN A 64 8.125 7.888 -8.727 1.00 0.00 N ATOM 899 CA ASN A 64 7.977 7.903 -10.178 1.00 0.00 C ATOM 900 C ASN A 64 8.689 9.108 -10.785 1.00 0.00 C ATOM 901 O ASN A 64 9.351 8.996 -11.816 1.00 0.00 O ATOM 902 CB ASN A 64 6.496 7.926 -10.561 1.00 0.00 C ATOM 903 CG ASN A 64 5.802 6.610 -10.268 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.555 6.342 -8.991 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 5.493 5.843 -11.179 1.00 0.00 N flip ATOM 0 H ASN A 64 7.279 8.138 -8.214 1.00 0.00 H new ATOM 0 HA ASN A 64 8.434 6.996 -10.574 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.995 8.727 -10.017 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.402 8.155 -11.623 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.702 6.090 -12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.028 4.960 -10.967 1.00 0.00 H new ATOM 912 N GLY A 65 8.550 10.260 -10.137 1.00 0.00 N ATOM 913 CA GLY A 65 9.186 11.469 -10.627 1.00 0.00 C ATOM 914 C GLY A 65 8.181 12.521 -11.053 1.00 0.00 C ATOM 915 O GLY A 65 8.501 13.708 -11.108 1.00 0.00 O ATOM 0 H GLY A 65 8.008 10.378 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.829 11.879 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.828 11.221 -11.472 1.00 0.00 H new ATOM 919 N ASP A 66 6.964 12.085 -11.358 1.00 0.00 N ATOM 920 CA ASP A 66 5.908 12.997 -11.782 1.00 0.00 C ATOM 921 C ASP A 66 5.090 13.474 -10.587 1.00 0.00 C ATOM 922 O ASP A 66 4.758 14.655 -10.480 1.00 0.00 O ATOM 923 CB ASP A 66 4.995 12.315 -12.802 1.00 0.00 C ATOM 924 CG ASP A 66 4.244 13.311 -13.664 1.00 0.00 C ATOM 925 OD1 ASP A 66 4.802 14.394 -13.943 1.00 0.00 O ATOM 926 OD2 ASP A 66 3.100 13.008 -14.060 1.00 0.00 O ATOM 0 H ASP A 66 6.684 11.105 -11.320 1.00 0.00 H new ATOM 0 HA ASP A 66 6.376 13.864 -12.248 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.591 11.663 -13.441 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.280 11.681 -12.278 1.00 0.00 H new ATOM 931 N GLY A 67 4.765 12.548 -9.689 1.00 0.00 N ATOM 932 CA GLY A 67 3.987 12.894 -8.515 1.00 0.00 C ATOM 933 C GLY A 67 3.373 11.679 -7.848 1.00 0.00 C ATOM 934 O GLY A 67 2.266 11.747 -7.313 1.00 0.00 O ATOM 0 H GLY A 67 5.027 11.564 -9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.625 13.414 -7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.196 13.588 -8.799 1.00 0.00 H new ATOM 938 N THR A 68 4.092 10.561 -7.880 1.00 0.00 N ATOM 939 CA THR A 68 3.610 9.325 -7.276 1.00 0.00 C ATOM 940 C THR A 68 4.770 8.442 -6.832 1.00 0.00 C ATOM 941 O THR A 68 5.936 8.783 -7.033 1.00 0.00 O ATOM 942 CB THR A 68 2.722 8.532 -8.254 1.00 0.00 C ATOM 943 OG1 THR A 68 3.499 8.091 -9.374 1.00 0.00 O ATOM 944 CG2 THR A 68 1.560 9.384 -8.742 1.00 0.00 C ATOM 0 H THR A 68 5.010 10.486 -8.318 1.00 0.00 H new ATOM 0 HA THR A 68 3.018 9.608 -6.406 1.00 0.00 H new ATOM 0 HB THR A 68 2.322 7.667 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.913 7.228 -9.165 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.947 8.803 -9.431 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.954 9.695 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.945 10.266 -9.254 1.00 0.00 H new ATOM 952 N HIS A 69 4.444 7.305 -6.226 1.00 0.00 N ATOM 953 CA HIS A 69 5.460 6.371 -5.753 1.00 0.00 C ATOM 954 C HIS A 69 4.999 4.928 -5.936 1.00 0.00 C ATOM 955 O HIS A 69 3.931 4.541 -5.462 1.00 0.00 O ATOM 956 CB HIS A 69 5.779 6.635 -4.280 1.00 0.00 C ATOM 957 CG HIS A 69 6.043 8.076 -3.974 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.274 8.546 -3.566 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.226 9.154 -4.017 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.203 9.850 -3.371 1.00 0.00 C ATOM 961 NE2 HIS A 69 5.970 10.245 -3.639 1.00 0.00 N ATOM 0 H HIS A 69 3.484 7.008 -6.051 1.00 0.00 H new ATOM 0 HA HIS A 69 6.362 6.523 -6.345 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.946 6.289 -3.669 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.650 6.046 -3.994 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.183 9.156 -4.297 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.014 10.486 -3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.627 11.204 -3.575 1.00 0.00 H new ATOM 970 N THR A 70 5.813 4.135 -6.627 1.00 0.00 N ATOM 971 CA THR A 70 5.488 2.737 -6.874 1.00 0.00 C ATOM 972 C THR A 70 5.899 1.861 -5.696 1.00 0.00 C ATOM 973 O THR A 70 6.966 2.047 -5.112 1.00 0.00 O ATOM 974 CB THR A 70 6.178 2.217 -8.151 1.00 0.00 C ATOM 975 OG1 THR A 70 5.623 2.860 -9.304 1.00 0.00 O ATOM 976 CG2 THR A 70 6.016 0.710 -8.277 1.00 0.00 C ATOM 0 H THR A 70 6.702 4.438 -7.025 1.00 0.00 H new ATOM 0 HA THR A 70 4.407 2.682 -7.005 1.00 0.00 H new ATOM 0 HB THR A 70 7.241 2.448 -8.084 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.068 2.526 -10.111 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.511 0.366 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.465 0.222 -7.412 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.956 0.461 -8.324 1.00 0.00 H new ATOM 984 N VAL A 71 5.043 0.903 -5.351 1.00 0.00 N ATOM 985 CA VAL A 71 5.317 -0.004 -4.242 1.00 0.00 C ATOM 986 C VAL A 71 5.087 -1.455 -4.650 1.00 0.00 C ATOM 987 O VAL A 71 3.947 -1.896 -4.801 1.00 0.00 O ATOM 988 CB VAL A 71 4.437 0.321 -3.021 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.727 -0.646 -1.883 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.652 1.760 -2.577 1.00 0.00 C ATOM 0 H VAL A 71 4.155 0.735 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 71 6.364 0.133 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 71 3.391 0.206 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.096 -0.402 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.518 -1.665 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.775 -0.565 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.022 1.972 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.698 1.905 -2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.390 2.435 -3.392 1.00 0.00 H new ATOM 1000 N THR A 72 6.177 -2.195 -4.826 1.00 0.00 N ATOM 1001 CA THR A 72 6.095 -3.597 -5.216 1.00 0.00 C ATOM 1002 C THR A 72 6.203 -4.513 -4.002 1.00 0.00 C ATOM 1003 O THR A 72 6.892 -4.196 -3.033 1.00 0.00 O ATOM 1004 CB THR A 72 7.200 -3.965 -6.223 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.489 -3.731 -5.644 1.00 0.00 O ATOM 1006 CG2 THR A 72 7.059 -3.154 -7.503 1.00 0.00 C ATOM 0 H THR A 72 7.128 -1.846 -4.704 1.00 0.00 H new ATOM 0 HA THR A 72 5.122 -3.738 -5.688 1.00 0.00 H new ATOM 0 HB THR A 72 7.099 -5.022 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.186 -3.969 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.851 -3.432 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.089 -3.357 -7.957 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.136 -2.092 -7.271 1.00 0.00 H new ATOM 1014 N TYR A 73 5.518 -5.650 -4.063 1.00 0.00 N ATOM 1015 CA TYR A 73 5.536 -6.611 -2.967 1.00 0.00 C ATOM 1016 C TYR A 73 4.968 -7.955 -3.412 1.00 0.00 C ATOM 1017 O TYR A 73 4.314 -8.054 -4.451 1.00 0.00 O ATOM 1018 CB TYR A 73 4.736 -6.076 -1.778 1.00 0.00 C ATOM 1019 CG TYR A 73 3.251 -6.344 -1.877 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.407 -5.450 -2.525 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.693 -7.489 -1.323 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.050 -5.689 -2.618 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.336 -7.736 -1.413 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.520 -6.834 -2.060 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.832 -7.077 -2.151 1.00 0.00 O ATOM 0 H TYR A 73 4.944 -5.928 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 73 6.572 -6.757 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.118 -6.527 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.898 -5.001 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.819 -4.553 -2.963 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.330 -8.198 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.408 -4.984 -3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.917 -8.632 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.289 -6.269 -2.465 1.00 0.00 H new ATOM 1035 N THR A 74 5.223 -8.990 -2.618 1.00 0.00 N ATOM 1036 CA THR A 74 4.739 -10.330 -2.929 1.00 0.00 C ATOM 1037 C THR A 74 4.277 -11.053 -1.670 1.00 0.00 C ATOM 1038 O THR A 74 5.071 -11.392 -0.792 1.00 0.00 O ATOM 1039 CB THR A 74 5.826 -11.172 -3.622 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.235 -10.540 -4.840 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.316 -12.575 -3.918 1.00 0.00 C ATOM 0 H THR A 74 5.762 -8.926 -1.754 1.00 0.00 H new ATOM 0 HA THR A 74 3.894 -10.212 -3.607 1.00 0.00 H new ATOM 0 HB THR A 74 6.680 -11.247 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.927 -11.082 -5.273 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.101 -13.152 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.034 -13.064 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.447 -12.516 -4.573 1.00 0.00 H new ATOM 1049 N PRO A 75 2.962 -11.297 -1.576 1.00 0.00 N ATOM 1050 CA PRO A 75 2.364 -11.985 -0.428 1.00 0.00 C ATOM 1051 C PRO A 75 2.742 -13.462 -0.375 1.00 0.00 C ATOM 1052 O PRO A 75 2.169 -14.284 -1.089 1.00 0.00 O ATOM 1053 CB PRO A 75 0.860 -11.826 -0.662 1.00 0.00 C ATOM 1054 CG PRO A 75 0.722 -11.655 -2.136 1.00 0.00 C ATOM 1055 CD PRO A 75 1.956 -10.923 -2.584 1.00 0.00 C ATOM 0 HA PRO A 75 2.708 -11.570 0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.310 -12.700 -0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.465 -10.964 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.638 -12.620 -2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.178 -11.090 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.260 -11.225 -3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.796 -9.845 -2.611 1.00 0.00 H new ATOM 1063 N SER A 76 3.709 -13.790 0.476 1.00 0.00 N ATOM 1064 CA SER A 76 4.166 -15.168 0.619 1.00 0.00 C ATOM 1065 C SER A 76 3.007 -16.145 0.447 1.00 0.00 C ATOM 1066 O SER A 76 3.041 -17.017 -0.422 1.00 0.00 O ATOM 1067 CB SER A 76 4.819 -15.371 1.987 1.00 0.00 C ATOM 1068 OG SER A 76 5.344 -16.681 2.112 1.00 0.00 O ATOM 0 H SER A 76 4.191 -13.121 1.077 1.00 0.00 H new ATOM 0 HA SER A 76 4.902 -15.363 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.617 -14.641 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.086 -15.193 2.774 1.00 0.00 H new ATOM 0 HG SER A 76 5.757 -16.785 2.994 1.00 0.00 H new ATOM 1074 N GLN A 77 1.982 -15.992 1.279 1.00 0.00 N ATOM 1075 CA GLN A 77 0.813 -16.861 1.219 1.00 0.00 C ATOM 1076 C GLN A 77 -0.473 -16.041 1.182 1.00 0.00 C ATOM 1077 O GLN A 77 -0.462 -14.840 1.448 1.00 0.00 O ATOM 1078 CB GLN A 77 0.794 -17.808 2.421 1.00 0.00 C ATOM 1079 CG GLN A 77 0.529 -17.106 3.743 1.00 0.00 C ATOM 1080 CD GLN A 77 0.906 -17.958 4.940 1.00 0.00 C ATOM 1081 OE1 GLN A 77 1.832 -18.766 4.875 1.00 0.00 O ATOM 1082 NE2 GLN A 77 0.189 -17.779 6.044 1.00 0.00 N ATOM 0 H GLN A 77 1.937 -15.274 2.003 1.00 0.00 H new ATOM 0 HA GLN A 77 0.874 -17.449 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.029 -18.568 2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.751 -18.327 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.091 -16.173 3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.527 -16.844 3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.570 -17.098 6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.398 -18.322 6.881 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.579 -16.700 0.849 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.872 -16.031 0.775 1.00 0.00 C ATOM 1093 C GLU A 78 -3.436 -15.781 2.171 1.00 0.00 C ATOM 1094 O GLU A 78 -2.890 -16.253 3.167 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.858 -16.868 -0.043 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.134 -18.238 0.553 1.00 0.00 C ATOM 1097 CD GLU A 78 -3.124 -19.279 0.112 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -2.423 -19.037 -0.894 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -3.036 -20.337 0.769 1.00 0.00 O ATOM 0 H GLU A 78 -1.605 -17.695 0.627 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.727 -15.069 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.798 -16.323 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.466 -16.992 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.125 -18.166 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.134 -18.561 0.264 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.534 -15.032 2.234 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.153 -14.732 3.512 1.00 0.00 C ATOM 1108 C GLY A 79 -5.406 -13.249 3.699 1.00 0.00 C ATOM 1109 O GLY A 79 -5.001 -12.421 2.882 1.00 0.00 O ATOM 0 H GLY A 79 -5.005 -14.629 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.097 -15.271 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.512 -15.092 4.316 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.091 -12.895 4.796 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.413 -11.501 5.112 1.00 0.00 C ATOM 1115 C PRO A 80 -5.179 -10.694 5.504 1.00 0.00 C ATOM 1116 O PRO A 80 -4.776 -10.684 6.667 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.374 -11.618 6.299 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.032 -12.922 6.934 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.604 -13.829 5.813 1.00 0.00 C ATOM 0 HA PRO A 80 -6.835 -10.977 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.244 -10.791 6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.413 -11.598 5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.233 -12.802 7.666 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.890 -13.335 7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.837 -14.533 6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.438 -14.419 5.433 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.584 -10.021 4.527 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.394 -9.214 4.769 1.00 0.00 C ATOM 1129 C TYR A 81 -3.773 -7.782 5.134 1.00 0.00 C ATOM 1130 O TYR A 81 -4.944 -7.407 5.088 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.492 -9.214 3.534 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.479 -10.338 3.524 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.887 -11.666 3.550 1.00 0.00 C ATOM 1134 CD2 TYR A 81 -0.116 -10.071 3.490 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.966 -12.696 3.542 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.812 -11.094 3.480 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.382 -12.405 3.506 1.00 0.00 C ATOM 1138 OH TYR A 81 1.303 -13.427 3.498 1.00 0.00 O ATOM 0 H TYR A 81 -4.906 -10.018 3.559 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.852 -9.653 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.113 -9.288 2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.966 -8.261 3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.942 -11.897 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.224 -9.046 3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.300 -13.723 3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.868 -10.869 3.452 1.00 0.00 H new ATOM 0 HH TYR A 81 2.164 -13.089 3.173 1.00 0.00 H new ATOM 1148 N MET A 82 -2.772 -6.987 5.499 1.00 0.00 N ATOM 1149 CA MET A 82 -2.999 -5.595 5.873 1.00 0.00 C ATOM 1150 C MET A 82 -1.807 -4.727 5.483 1.00 0.00 C ATOM 1151 O MET A 82 -0.695 -4.924 5.974 1.00 0.00 O ATOM 1152 CB MET A 82 -3.256 -5.484 7.377 1.00 0.00 C ATOM 1153 CG MET A 82 -3.650 -4.085 7.823 1.00 0.00 C ATOM 1154 SD MET A 82 -4.536 -4.081 9.394 1.00 0.00 S ATOM 1155 CE MET A 82 -3.173 -3.990 10.552 1.00 0.00 C ATOM 0 H MET A 82 -1.797 -7.282 5.544 1.00 0.00 H new ATOM 0 HA MET A 82 -3.877 -5.238 5.335 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.046 -6.181 7.655 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.358 -5.789 7.915 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.754 -3.471 7.914 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.275 -3.626 7.057 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.561 -3.979 11.571 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.525 -4.856 10.420 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.602 -3.079 10.372 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.046 -3.765 4.597 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.992 -2.866 4.143 1.00 0.00 C ATOM 1167 C VAL A 83 -1.153 -1.477 4.752 1.00 0.00 C ATOM 1168 O VAL A 83 -1.964 -0.675 4.289 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.984 -2.742 2.607 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.071 -1.743 2.157 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.750 -4.101 1.965 1.00 0.00 C ATOM 0 H VAL A 83 -2.960 -3.589 4.180 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.046 -3.296 4.472 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.958 -2.375 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.062 -1.669 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.145 -0.766 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.054 -2.077 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.747 -3.995 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.211 -4.498 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.545 -4.785 2.261 1.00 0.00 H new ATOM 1181 N SER A 84 -0.375 -1.201 5.793 1.00 0.00 N ATOM 1182 CA SER A 84 -0.433 0.090 6.470 1.00 0.00 C ATOM 1183 C SER A 84 0.441 1.117 5.755 1.00 0.00 C ATOM 1184 O SER A 84 1.512 0.790 5.245 1.00 0.00 O ATOM 1185 CB SER A 84 0.015 -0.053 7.926 1.00 0.00 C ATOM 1186 OG SER A 84 0.269 1.214 8.507 1.00 0.00 O ATOM 0 H SER A 84 0.303 -1.854 6.186 1.00 0.00 H new ATOM 0 HA SER A 84 -1.466 0.439 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.755 -0.571 8.498 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.915 -0.666 7.975 1.00 0.00 H new ATOM 0 HG SER A 84 0.552 1.096 9.438 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.026 2.361 5.723 1.00 0.00 N ATOM 1193 CA VAL A 85 0.711 3.438 5.073 1.00 0.00 C ATOM 1194 C VAL A 85 0.604 4.735 5.868 1.00 0.00 C ATOM 1195 O VAL A 85 -0.477 5.112 6.320 1.00 0.00 O ATOM 1196 CB VAL A 85 0.200 3.682 3.641 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.893 4.889 3.026 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.407 2.444 2.783 1.00 0.00 C ATOM 0 H VAL A 85 -0.912 2.648 6.140 1.00 0.00 H new ATOM 0 HA VAL A 85 1.755 3.127 5.030 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.869 3.890 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.520 5.046 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.688 5.773 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.968 4.713 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.040 2.635 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.469 2.202 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.140 1.606 3.215 1.00 0.00 H new ATOM 1208 N LYS A 86 1.734 5.414 6.035 1.00 0.00 N ATOM 1209 CA LYS A 86 1.770 6.671 6.773 1.00 0.00 C ATOM 1210 C LYS A 86 2.319 7.797 5.905 1.00 0.00 C ATOM 1211 O LYS A 86 2.806 7.560 4.799 1.00 0.00 O ATOM 1212 CB LYS A 86 2.624 6.521 8.033 1.00 0.00 C ATOM 1213 CG LYS A 86 2.170 7.403 9.185 1.00 0.00 C ATOM 1214 CD LYS A 86 2.722 6.912 10.514 1.00 0.00 C ATOM 1215 CE LYS A 86 1.985 7.538 11.688 1.00 0.00 C ATOM 1216 NZ LYS A 86 2.593 7.155 12.992 1.00 0.00 N ATOM 0 H LYS A 86 2.638 5.114 5.669 1.00 0.00 H new ATOM 0 HA LYS A 86 0.749 6.924 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.603 5.480 8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.660 6.759 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.497 8.428 9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.081 7.418 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.637 5.827 10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.783 7.152 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.996 8.623 11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.941 7.227 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.062 7.602 13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.560 6.121 13.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.582 7.474 13.021 1.00 0.00 H new ATOM 1230 N TYR A 87 2.240 9.022 6.412 1.00 0.00 N ATOM 1231 CA TYR A 87 2.728 10.185 5.681 1.00 0.00 C ATOM 1232 C TYR A 87 3.037 11.337 6.633 1.00 0.00 C ATOM 1233 O TYR A 87 2.136 11.905 7.250 1.00 0.00 O ATOM 1234 CB TYR A 87 1.699 10.630 4.641 1.00 0.00 C ATOM 1235 CG TYR A 87 2.290 11.446 3.514 1.00 0.00 C ATOM 1236 CD1 TYR A 87 3.099 10.854 2.552 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.040 12.809 3.412 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.642 11.596 1.520 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.578 13.558 2.382 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.378 12.947 1.440 1.00 0.00 C ATOM 1241 OH TYR A 87 3.917 13.689 0.414 1.00 0.00 O ATOM 0 H TYR A 87 1.842 9.235 7.327 1.00 0.00 H new ATOM 0 HA TYR A 87 3.649 9.901 5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.212 9.748 4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.925 11.217 5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.307 9.796 2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.415 13.291 4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.269 11.120 0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.373 14.616 2.316 1.00 0.00 H new ATOM 0 HH TYR A 87 4.895 13.636 0.450 1.00 0.00 H new ATOM 1251 N ALA A 88 4.317 11.675 6.747 1.00 0.00 N ATOM 1252 CA ALA A 88 4.745 12.761 7.621 1.00 0.00 C ATOM 1253 C ALA A 88 4.368 12.479 9.071 1.00 0.00 C ATOM 1254 O ALA A 88 4.079 13.397 9.838 1.00 0.00 O ATOM 1255 CB ALA A 88 4.138 14.078 7.163 1.00 0.00 C ATOM 0 H ALA A 88 5.076 11.213 6.246 1.00 0.00 H new ATOM 0 HA ALA A 88 5.831 12.835 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.466 14.880 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.461 14.293 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.051 14.007 7.191 1.00 0.00 H new ATOM 1261 N ASP A 89 4.373 11.203 9.442 1.00 0.00 N ATOM 1262 CA ASP A 89 4.033 10.799 10.801 1.00 0.00 C ATOM 1263 C ASP A 89 2.533 10.927 11.045 1.00 0.00 C ATOM 1264 O ASP A 89 2.098 11.202 12.164 1.00 0.00 O ATOM 1265 CB ASP A 89 4.802 11.648 11.815 1.00 0.00 C ATOM 1266 CG ASP A 89 6.244 11.873 11.407 1.00 0.00 C ATOM 1267 OD1 ASP A 89 6.993 10.879 11.302 1.00 0.00 O ATOM 1268 OD2 ASP A 89 6.625 13.043 11.192 1.00 0.00 O ATOM 0 H ASP A 89 4.609 10.430 8.820 1.00 0.00 H new ATOM 0 HA ASP A 89 4.316 9.754 10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.305 12.612 11.929 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.775 11.159 12.789 1.00 0.00 H new ATOM 1273 N GLU A 90 1.747 10.726 9.992 1.00 0.00 N ATOM 1274 CA GLU A 90 0.295 10.821 10.093 1.00 0.00 C ATOM 1275 C GLU A 90 -0.380 9.757 9.233 1.00 0.00 C ATOM 1276 O GLU A 90 -0.427 9.871 8.009 1.00 0.00 O ATOM 1277 CB GLU A 90 -0.178 12.213 9.668 1.00 0.00 C ATOM 1278 CG GLU A 90 0.308 13.326 10.579 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.524 14.587 10.455 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.526 14.713 11.188 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -0.171 15.449 9.623 1.00 0.00 O ATOM 0 H GLU A 90 2.091 10.496 9.060 1.00 0.00 H new ATOM 0 HA GLU A 90 0.016 10.653 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.166 12.410 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.268 12.225 9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.285 12.980 11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.347 13.556 10.343 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.903 8.722 9.885 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.575 7.636 9.180 1.00 0.00 C ATOM 1290 C GLU A 91 -2.668 8.178 8.264 1.00 0.00 C ATOM 1291 O GLU A 91 -3.715 8.630 8.728 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.175 6.645 10.178 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.262 5.474 10.498 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.659 4.755 11.772 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -2.782 4.213 11.822 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -0.845 4.734 12.720 1.00 0.00 O ATOM 0 H GLU A 91 -0.874 8.613 10.899 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.835 7.120 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.413 7.172 11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.114 6.263 9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.278 4.768 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.237 5.833 10.592 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.417 8.129 6.960 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.379 8.614 5.978 1.00 0.00 C ATOM 1305 C ILE A 92 -4.785 8.112 6.292 1.00 0.00 C ATOM 1306 O ILE A 92 -4.973 7.061 6.905 1.00 0.00 O ATOM 1307 CB ILE A 92 -2.997 8.177 4.551 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.956 6.651 4.456 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.655 8.774 4.156 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.841 6.136 3.038 1.00 0.00 C ATOM 0 H ILE A 92 -1.555 7.758 6.559 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.363 9.703 6.032 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.754 8.545 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.111 6.282 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.859 6.243 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.399 8.456 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.717 9.862 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.887 8.432 4.850 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.817 5.046 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.699 6.475 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.924 6.515 2.587 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.797 8.879 5.861 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.204 8.531 6.082 1.00 0.00 C ATOM 1324 C PRO A 93 -7.639 7.324 5.259 1.00 0.00 C ATOM 1325 O PRO A 93 -8.811 6.946 5.265 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.955 9.787 5.629 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.043 10.441 4.651 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.647 10.145 5.124 1.00 0.00 C ATOM 0 HA PRO A 93 -7.397 8.252 7.118 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.911 9.533 5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.170 10.445 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.205 10.052 3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.221 11.516 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.953 10.044 4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.263 10.939 5.764 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.689 6.722 4.551 1.00 0.00 N ATOM 1337 CA ARG A 94 -6.975 5.558 3.722 1.00 0.00 C ATOM 1338 C ARG A 94 -6.278 4.316 4.271 1.00 0.00 C ATOM 1339 O ARG A 94 -6.463 3.211 3.759 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.530 5.810 2.281 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.228 6.992 1.626 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.586 6.597 1.067 1.00 0.00 C ATOM 1343 NE ARG A 94 -8.467 5.865 -0.191 1.00 0.00 N ATOM 1344 CZ ARG A 94 -9.500 5.590 -0.981 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -10.720 5.985 -0.645 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -9.312 4.919 -2.110 1.00 0.00 N ATOM 0 H ARG A 94 -5.714 7.022 4.535 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.051 5.387 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.454 5.981 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.718 4.914 1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.352 7.792 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.604 7.386 0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.113 5.982 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.188 7.492 0.910 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.541 5.548 -0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.868 6.502 0.222 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.511 5.772 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.375 4.614 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.105 4.708 -2.716 1.00 0.00 H new ATOM 1360 N SER A 95 -5.476 4.505 5.314 1.00 0.00 N ATOM 1361 CA SER A 95 -4.749 3.401 5.929 1.00 0.00 C ATOM 1362 C SER A 95 -5.276 3.119 7.333 1.00 0.00 C ATOM 1363 O SER A 95 -5.819 3.994 8.007 1.00 0.00 O ATOM 1364 CB SER A 95 -3.253 3.717 5.986 1.00 0.00 C ATOM 1365 OG SER A 95 -2.653 3.135 7.130 1.00 0.00 O ATOM 0 H SER A 95 -5.313 5.412 5.751 1.00 0.00 H new ATOM 0 HA SER A 95 -4.902 2.512 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.765 3.344 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.106 4.797 6.004 1.00 0.00 H new ATOM 0 HG SER A 95 -2.015 3.767 7.522 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.109 1.867 7.784 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.464 0.817 6.991 1.00 0.00 C ATOM 1373 C PRO A 96 -5.316 0.381 5.804 1.00 0.00 C ATOM 1374 O PRO A 96 -6.422 0.883 5.603 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.305 -0.334 7.987 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.376 -0.111 8.998 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.541 1.379 9.106 1.00 0.00 C ATOM 0 HA PRO A 96 -3.523 1.155 6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.419 -1.301 7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.317 -0.325 8.448 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.308 -0.585 8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.101 -0.544 9.960 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.574 1.655 9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.929 1.794 9.907 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.795 -0.558 5.021 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.509 -1.062 3.853 1.00 0.00 C ATOM 1387 C PHE A 97 -5.753 -2.564 3.971 1.00 0.00 C ATOM 1388 O PHE A 97 -4.813 -3.359 3.977 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.719 -0.761 2.578 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.675 0.700 2.231 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -5.692 1.281 1.491 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -3.615 1.491 2.643 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -5.655 2.624 1.170 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -3.572 2.836 2.326 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.593 3.403 1.588 1.00 0.00 C ATOM 0 H PHE A 97 -3.881 -0.985 5.174 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.474 -0.558 3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.700 -1.129 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.162 -1.310 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.524 0.676 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.813 1.052 3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.455 3.064 0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.741 3.443 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.561 4.453 1.338 1.00 0.00 H new ATOM 1405 N LYS A 98 -7.022 -2.945 4.067 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.393 -4.350 4.184 1.00 0.00 C ATOM 1407 C LYS A 98 -7.315 -5.048 2.830 1.00 0.00 C ATOM 1408 O LYS A 98 -8.169 -4.846 1.967 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.805 -4.479 4.756 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.864 -3.765 3.933 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.023 -3.300 4.799 1.00 0.00 C ATOM 1412 CE LYS A 98 -11.961 -4.448 5.138 1.00 0.00 C ATOM 1413 NZ LYS A 98 -11.366 -5.371 6.144 1.00 0.00 N ATOM 0 H LYS A 98 -7.812 -2.300 4.066 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.688 -4.831 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.064 -5.535 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.815 -4.079 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.418 -2.907 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.234 -4.434 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.638 -2.860 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.576 -2.518 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.900 -4.049 5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.198 -5.004 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.109 -5.707 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.936 -6.184 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.637 -4.868 6.688 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.287 -5.872 2.652 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.101 -6.602 1.403 1.00 0.00 C ATOM 1429 C VAL A 99 -6.173 -8.108 1.632 1.00 0.00 C ATOM 1430 O VAL A 99 -5.251 -8.708 2.185 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.750 -6.257 0.749 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.513 -7.126 -0.478 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.696 -4.782 0.384 1.00 0.00 C ATOM 0 H VAL A 99 -5.571 -6.051 3.356 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.908 -6.300 0.735 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.956 -6.460 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.554 -6.868 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.506 -8.176 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.310 -6.957 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.734 -4.556 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.498 -4.551 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.817 -4.180 1.284 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.275 -8.713 1.202 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.468 -10.151 1.357 1.00 0.00 C ATOM 1445 C LYS A 100 -6.836 -10.913 0.196 1.00 0.00 C ATOM 1446 O LYS A 100 -7.441 -11.056 -0.867 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.960 -10.478 1.445 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.252 -11.966 1.529 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.726 -12.259 1.300 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.116 -13.620 1.856 1.00 0.00 C ATOM 1451 NZ LYS A 100 -12.307 -14.183 1.161 1.00 0.00 N ATOM 0 H LYS A 100 -8.048 -8.231 0.744 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.979 -10.462 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.381 -9.984 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.466 -10.066 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.655 -12.497 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.953 -12.342 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.330 -11.485 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.943 -12.225 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.277 -14.308 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.326 -13.530 2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.541 -15.111 1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.115 -13.539 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.098 -14.293 0.148 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.619 -11.401 0.408 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.906 -12.151 -0.620 1.00 0.00 C ATOM 1467 C VAL A 101 -5.639 -13.444 -0.963 1.00 0.00 C ATOM 1468 O VAL A 101 -6.277 -14.056 -0.105 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.472 -12.490 -0.175 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.723 -13.207 -1.289 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.734 -11.228 0.248 1.00 0.00 C ATOM 0 H VAL A 101 -5.105 -11.291 1.282 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.863 -11.515 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.525 -13.159 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.711 -13.439 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.243 -14.131 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.678 -12.565 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.722 -11.486 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.690 -10.534 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.261 -10.759 1.079 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.542 -13.856 -2.223 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.194 -15.078 -2.680 1.00 0.00 C ATOM 1483 C LEU A 102 -5.164 -16.138 -3.056 1.00 0.00 C ATOM 1484 O LEU A 102 -4.028 -15.833 -3.420 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.096 -14.780 -3.879 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.396 -14.034 -3.571 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -8.980 -13.436 -4.842 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.400 -14.966 -2.908 1.00 0.00 C ATOM 0 H LEU A 102 -5.018 -13.362 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.802 -15.463 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.526 -14.194 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.348 -15.724 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.173 -13.221 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.904 -12.909 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.265 -12.737 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.189 -14.233 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.319 -14.419 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.619 -15.799 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.982 -15.348 -1.977 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.567 -17.414 -2.969 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.695 -18.545 -3.299 1.00 0.00 C ATOM 1502 C PRO A 103 -4.404 -18.636 -4.793 1.00 0.00 C ATOM 1503 O PRO A 103 -5.321 -18.707 -5.611 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.501 -19.761 -2.835 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.921 -19.316 -2.884 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.907 -17.851 -2.543 1.00 0.00 C ATOM 0 HA PRO A 103 -3.717 -18.458 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.333 -20.619 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.216 -20.064 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.348 -19.483 -3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.530 -19.876 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.693 -17.309 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.064 -17.685 -1.477 1.00 0.00 H new ATOM 1514 N THR A 104 -3.122 -18.635 -5.142 1.00 0.00 N ATOM 1515 CA THR A 104 -2.710 -18.717 -6.538 1.00 0.00 C ATOM 1516 C THR A 104 -3.648 -19.614 -7.336 1.00 0.00 C ATOM 1517 O THR A 104 -3.875 -19.390 -8.525 1.00 0.00 O ATOM 1518 CB THR A 104 -1.272 -19.253 -6.669 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.355 -18.358 -6.029 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.888 -19.420 -8.131 1.00 0.00 C ATOM 0 H THR A 104 -2.350 -18.578 -4.477 1.00 0.00 H new ATOM 0 HA THR A 104 -2.751 -17.704 -6.939 1.00 0.00 H new ATOM 0 HB THR A 104 -1.226 -20.228 -6.184 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.606 -17.433 -6.232 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.132 -19.800 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.570 -20.124 -8.608 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.950 -18.456 -8.636 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.192 -20.630 -6.675 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.106 -21.563 -7.325 1.00 0.00 C ATOM 1530 C TYR A 105 -6.555 -21.241 -6.972 1.00 0.00 C ATOM 1531 O TYR A 105 -6.835 -20.652 -5.927 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.776 -23.000 -6.916 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.643 -23.610 -7.710 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.331 -23.196 -7.516 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.885 -24.599 -8.656 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.293 -23.751 -8.240 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.853 -25.160 -9.383 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.559 -24.732 -9.171 1.00 0.00 C ATOM 1539 OH TYR A 105 -0.528 -25.288 -9.895 1.00 0.00 O ATOM 0 H TYR A 105 -4.016 -20.829 -5.690 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.983 -21.462 -8.403 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.517 -23.017 -5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.667 -23.617 -7.037 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.119 -22.428 -6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.897 -24.935 -8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.279 -23.418 -8.077 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.058 -25.929 -10.113 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.886 -25.965 -10.507 1.00 0.00 H new