USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 MET CE :methyl -149:sc= -1.36! (180deg=-2.44) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 126:sc= -4.42! USER MOD Single : A 29 THR OG1 : rot 156:sc= 0.785 USER MOD Single : A 31 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.098) USER MOD Single : A 39 TYR OH : rot -15:sc= -3.87! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 142:sc= -0.0376 (180deg=-1.9) USER MOD Single : A 74 GLN : amide:sc= -2.1 X(o=-2.1,f=-1.7) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.897 X(o=-0.9,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -3.961 12.932 8.989 1.00 0.00 N ATOM 108 CA ASP A 11 -3.142 12.684 7.815 1.00 0.00 C ATOM 109 C ASP A 11 -2.241 13.894 7.563 1.00 0.00 C ATOM 110 O ASP A 11 -2.586 15.017 7.929 1.00 0.00 O ATOM 111 CB ASP A 11 -4.011 12.475 6.573 1.00 0.00 C ATOM 112 CG ASP A 11 -5.242 13.378 6.485 1.00 0.00 C ATOM 113 OD1 ASP A 11 -6.273 12.989 7.076 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.126 14.434 5.829 1.00 0.00 O ATOM 0 HA ASP A 11 -2.552 11.786 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.397 12.636 5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.339 11.436 6.548 1.00 0.00 H new ATOM 119 N ASP A 12 -1.103 13.625 6.939 1.00 0.00 N ATOM 120 CA ASP A 12 -0.150 14.677 6.634 1.00 0.00 C ATOM 121 C ASP A 12 -0.180 14.967 5.132 1.00 0.00 C ATOM 122 O ASP A 12 -0.859 14.274 4.375 1.00 0.00 O ATOM 123 CB ASP A 12 1.274 14.257 7.005 1.00 0.00 C ATOM 124 CG ASP A 12 1.778 14.796 8.345 1.00 0.00 C ATOM 125 OD1 ASP A 12 1.026 14.654 9.334 1.00 0.00 O ATOM 126 OD2 ASP A 12 2.905 15.337 8.351 1.00 0.00 O ATOM 0 H ASP A 12 -0.820 12.693 6.637 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.427 15.559 7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.322 13.168 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.951 14.590 6.219 1.00 0.00 H new ATOM 131 N GLU A 13 0.563 15.994 4.745 1.00 0.00 N ATOM 132 CA GLU A 13 0.630 16.384 3.347 1.00 0.00 C ATOM 133 C GLU A 13 1.252 15.262 2.511 1.00 0.00 C ATOM 134 O GLU A 13 0.960 15.134 1.323 1.00 0.00 O ATOM 135 CB GLU A 13 1.411 17.689 3.178 1.00 0.00 C ATOM 136 CG GLU A 13 0.633 18.872 3.759 1.00 0.00 C ATOM 137 CD GLU A 13 1.476 20.148 3.736 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.397 20.235 4.575 1.00 0.00 O ATOM 139 OE2 GLU A 13 1.180 21.008 2.878 1.00 0.00 O ATOM 0 H GLU A 13 1.124 16.568 5.375 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.385 16.557 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.378 17.606 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.610 17.864 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.282 19.026 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.335 18.648 4.783 1.00 0.00 H new ATOM 146 N VAL A 14 2.096 14.479 3.166 1.00 0.00 N ATOM 147 CA VAL A 14 2.760 13.372 2.499 1.00 0.00 C ATOM 148 C VAL A 14 1.759 12.235 2.285 1.00 0.00 C ATOM 149 O VAL A 14 1.770 11.581 1.244 1.00 0.00 O ATOM 150 CB VAL A 14 3.992 12.942 3.300 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.587 12.159 4.550 1.00 0.00 C ATOM 152 CG2 VAL A 14 4.954 12.129 2.430 1.00 0.00 C ATOM 0 H VAL A 14 2.335 14.589 4.151 1.00 0.00 H new ATOM 0 HA VAL A 14 3.118 13.678 1.516 1.00 0.00 H new ATOM 0 HB VAL A 14 4.513 13.843 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.481 11.865 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.959 12.785 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.032 11.268 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.821 11.836 3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.447 11.237 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.280 12.735 1.585 1.00 0.00 H new ATOM 162 N VAL A 15 0.918 12.035 3.289 1.00 0.00 N ATOM 163 CA VAL A 15 -0.089 10.988 3.224 1.00 0.00 C ATOM 164 C VAL A 15 -0.972 11.212 1.995 1.00 0.00 C ATOM 165 O VAL A 15 -1.068 10.344 1.128 1.00 0.00 O ATOM 166 CB VAL A 15 -0.883 10.944 4.531 1.00 0.00 C ATOM 167 CG1 VAL A 15 -2.238 10.264 4.326 1.00 0.00 C ATOM 168 CG2 VAL A 15 -0.082 10.249 5.635 1.00 0.00 C ATOM 0 H VAL A 15 0.913 12.579 4.152 1.00 0.00 H new ATOM 0 HA VAL A 15 0.382 10.011 3.112 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.068 11.971 4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.782 10.246 5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.815 10.818 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.084 9.243 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.668 10.231 6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.147 9.228 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.847 10.793 5.808 1.00 0.00 H new ATOM 178 N ALA A 16 -1.596 12.380 1.960 1.00 0.00 N ATOM 179 CA ALA A 16 -2.470 12.727 0.851 1.00 0.00 C ATOM 180 C ALA A 16 -1.814 12.298 -0.463 1.00 0.00 C ATOM 181 O ALA A 16 -2.502 11.906 -1.404 1.00 0.00 O ATOM 182 CB ALA A 16 -2.770 14.228 0.890 1.00 0.00 C ATOM 0 H ALA A 16 -1.514 13.098 2.680 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.421 12.201 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.425 14.490 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.260 14.477 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.838 14.788 0.808 1.00 0.00 H new ATOM 188 N MET A 17 -0.492 12.385 -0.485 1.00 0.00 N ATOM 189 CA MET A 17 0.263 12.009 -1.668 1.00 0.00 C ATOM 190 C MET A 17 0.187 10.501 -1.911 1.00 0.00 C ATOM 191 O MET A 17 -0.308 10.060 -2.947 1.00 0.00 O ATOM 192 CB MET A 17 1.725 12.426 -1.493 1.00 0.00 C ATOM 193 CG MET A 17 2.217 13.220 -2.704 1.00 0.00 C ATOM 194 SD MET A 17 3.123 14.659 -2.163 1.00 0.00 S ATOM 195 CE MET A 17 4.369 13.880 -1.152 1.00 0.00 C ATOM 0 H MET A 17 0.075 12.710 0.298 1.00 0.00 H new ATOM 0 HA MET A 17 -0.169 12.518 -2.530 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.829 13.029 -0.591 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.346 11.540 -1.358 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.854 12.592 -3.327 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.370 13.523 -3.319 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.651 14.551 -0.341 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.973 12.954 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.245 13.658 -1.761 1.00 0.00 H new ATOM 205 N ILE A 18 0.685 9.751 -0.939 1.00 0.00 N ATOM 206 CA ILE A 18 0.680 8.302 -1.035 1.00 0.00 C ATOM 207 C ILE A 18 -0.709 7.828 -1.470 1.00 0.00 C ATOM 208 O ILE A 18 -0.842 7.109 -2.459 1.00 0.00 O ATOM 209 CB ILE A 18 1.160 7.676 0.276 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.666 7.872 0.458 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.760 6.201 0.360 1.00 0.00 C ATOM 212 CD1 ILE A 18 2.983 8.441 1.843 1.00 0.00 C ATOM 0 H ILE A 18 1.095 10.120 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 18 1.384 7.969 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 18 0.666 8.191 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.179 6.919 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.044 8.546 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.114 5.781 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.325 6.115 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.206 5.655 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.060 8.570 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.489 9.405 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.626 7.753 2.609 1.00 0.00 H new ATOM 224 N LYS A 19 -1.708 8.252 -0.710 1.00 0.00 N ATOM 225 CA LYS A 19 -3.081 7.880 -1.004 1.00 0.00 C ATOM 226 C LYS A 19 -3.301 7.915 -2.518 1.00 0.00 C ATOM 227 O LYS A 19 -3.882 6.992 -3.086 1.00 0.00 O ATOM 228 CB LYS A 19 -4.055 8.763 -0.221 1.00 0.00 C ATOM 229 CG LYS A 19 -4.348 8.167 1.157 1.00 0.00 C ATOM 230 CD LYS A 19 -5.767 8.511 1.612 1.00 0.00 C ATOM 231 CE LYS A 19 -6.158 7.700 2.850 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.559 7.981 3.233 1.00 0.00 N ATOM 0 H LYS A 19 -1.594 8.849 0.109 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.278 6.859 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.635 9.762 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.985 8.870 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.226 7.084 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.628 8.546 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.833 9.576 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.471 8.310 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.037 6.636 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.492 7.945 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.808 7.423 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.664 8.994 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.192 7.725 2.448 1.00 0.00 H new ATOM 246 N GLU A 20 -2.825 8.991 -3.128 1.00 0.00 N ATOM 247 CA GLU A 20 -2.963 9.159 -4.564 1.00 0.00 C ATOM 248 C GLU A 20 -2.365 7.956 -5.299 1.00 0.00 C ATOM 249 O GLU A 20 -3.033 7.331 -6.120 1.00 0.00 O ATOM 250 CB GLU A 20 -2.313 10.463 -5.029 1.00 0.00 C ATOM 251 CG GLU A 20 -3.255 11.250 -5.943 1.00 0.00 C ATOM 252 CD GLU A 20 -2.468 12.052 -6.983 1.00 0.00 C ATOM 253 OE1 GLU A 20 -1.995 13.148 -6.613 1.00 0.00 O ATOM 254 OE2 GLU A 20 -2.357 11.551 -8.121 1.00 0.00 O ATOM 0 H GLU A 20 -2.343 9.755 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.025 9.216 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.049 11.071 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.386 10.243 -5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.936 10.564 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.867 11.925 -5.345 1.00 0.00 H new ATOM 261 N LEU A 21 -1.112 7.670 -4.977 1.00 0.00 N ATOM 262 CA LEU A 21 -0.416 6.555 -5.596 1.00 0.00 C ATOM 263 C LEU A 21 -1.224 5.274 -5.380 1.00 0.00 C ATOM 264 O LEU A 21 -1.054 4.299 -6.112 1.00 0.00 O ATOM 265 CB LEU A 21 1.022 6.469 -5.081 1.00 0.00 C ATOM 266 CG LEU A 21 2.118 6.807 -6.094 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.498 6.787 -5.435 1.00 0.00 C ATOM 268 CD2 LEU A 21 2.050 5.877 -7.307 1.00 0.00 C ATOM 0 H LEU A 21 -0.561 8.191 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.336 6.705 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.123 7.141 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.195 5.458 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 21 1.947 7.821 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.259 7.030 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.528 7.521 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.692 5.795 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.840 6.139 -8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.181 4.845 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.080 5.984 -7.793 1.00 0.00 H new ATOM 280 N LEU A 22 -2.085 5.316 -4.375 1.00 0.00 N ATOM 281 CA LEU A 22 -2.920 4.171 -4.054 1.00 0.00 C ATOM 282 C LEU A 22 -4.221 4.253 -4.856 1.00 0.00 C ATOM 283 O LEU A 22 -4.609 3.291 -5.515 1.00 0.00 O ATOM 284 CB LEU A 22 -3.133 4.069 -2.543 1.00 0.00 C ATOM 285 CG LEU A 22 -1.959 3.513 -1.734 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.106 2.005 -1.521 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.624 3.872 -2.390 1.00 0.00 C ATOM 0 H LEU A 22 -2.223 6.126 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.424 3.245 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.372 5.062 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.004 3.439 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.970 3.980 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.259 1.635 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.030 1.802 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.134 1.502 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.194 3.465 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.587 3.451 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.527 4.956 -2.448 1.00 0.00 H new ATOM 299 N ASP A 23 -4.857 5.412 -4.771 1.00 0.00 N ATOM 300 CA ASP A 23 -6.107 5.632 -5.480 1.00 0.00 C ATOM 301 C ASP A 23 -5.849 5.579 -6.987 1.00 0.00 C ATOM 302 O ASP A 23 -6.698 5.119 -7.749 1.00 0.00 O ATOM 303 CB ASP A 23 -6.693 7.006 -5.148 1.00 0.00 C ATOM 304 CG ASP A 23 -7.946 6.979 -4.271 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.638 5.938 -4.301 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.185 8.000 -3.591 1.00 0.00 O ATOM 0 H ASP A 23 -4.531 6.208 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.810 4.857 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.929 7.599 -4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.931 7.518 -6.080 1.00 0.00 H new ATOM 311 N THR A 24 -4.674 6.055 -7.371 1.00 0.00 N ATOM 312 CA THR A 24 -4.293 6.067 -8.774 1.00 0.00 C ATOM 313 C THR A 24 -4.704 4.757 -9.448 1.00 0.00 C ATOM 314 O THR A 24 -5.813 4.641 -9.966 1.00 0.00 O ATOM 315 CB THR A 24 -2.792 6.349 -8.854 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.250 5.665 -7.726 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.457 7.819 -8.595 1.00 0.00 C ATOM 0 H THR A 24 -3.973 6.435 -6.735 1.00 0.00 H new ATOM 0 HA THR A 24 -4.814 6.854 -9.320 1.00 0.00 H new ATOM 0 HB THR A 24 -2.421 6.061 -9.837 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.540 5.058 -8.022 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.379 7.964 -8.664 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.955 8.442 -9.338 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.798 8.100 -7.599 1.00 0.00 H new ATOM 325 N ARG A 25 -3.785 3.803 -9.423 1.00 0.00 N ATOM 326 CA ARG A 25 -4.037 2.504 -10.026 1.00 0.00 C ATOM 327 C ARG A 25 -3.245 1.418 -9.297 1.00 0.00 C ATOM 328 O ARG A 25 -2.580 0.598 -9.929 1.00 0.00 O ATOM 329 CB ARG A 25 -3.650 2.501 -11.507 1.00 0.00 C ATOM 330 CG ARG A 25 -2.254 3.093 -11.710 1.00 0.00 C ATOM 331 CD ARG A 25 -2.063 3.562 -13.153 1.00 0.00 C ATOM 332 NE ARG A 25 -1.440 4.905 -13.170 1.00 0.00 N ATOM 333 CZ ARG A 25 -2.086 6.037 -12.859 1.00 0.00 C ATOM 334 NH1 ARG A 25 -3.378 5.995 -12.506 1.00 0.00 N ATOM 335 NH2 ARG A 25 -1.440 7.210 -12.903 1.00 0.00 N ATOM 0 H ARG A 25 -2.865 3.903 -8.995 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.104 2.299 -9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.676 1.481 -11.891 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.379 3.076 -12.078 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.108 3.931 -11.029 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.499 2.347 -11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.435 2.854 -13.694 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.025 3.592 -13.665 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.457 4.973 -13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.869 5.102 -12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.870 6.856 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.457 7.241 -13.173 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.931 8.072 -12.666 1.00 0.00 H new ATOM 349 N ILE A 26 -3.341 1.445 -7.975 1.00 0.00 N ATOM 350 CA ILE A 26 -2.642 0.473 -7.153 1.00 0.00 C ATOM 351 C ILE A 26 -3.651 -0.255 -6.263 1.00 0.00 C ATOM 352 O ILE A 26 -3.627 -1.481 -6.166 1.00 0.00 O ATOM 353 CB ILE A 26 -1.508 1.144 -6.376 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.468 1.741 -7.328 1.00 0.00 C ATOM 355 CG2 ILE A 26 -0.878 0.173 -5.376 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.692 2.364 -6.551 1.00 0.00 C ATOM 0 H ILE A 26 -3.893 2.126 -7.453 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.165 -0.282 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.930 1.969 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.090 0.964 -7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.937 2.498 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.075 0.676 -4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.636 -0.162 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.474 -0.687 -5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.416 2.781 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.314 3.157 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.174 1.599 -5.942 1.00 0.00 H new ATOM 368 N ARG A 27 -4.513 0.531 -5.634 1.00 0.00 N ATOM 369 CA ARG A 27 -5.528 -0.023 -4.756 1.00 0.00 C ATOM 370 C ARG A 27 -6.625 -0.705 -5.575 1.00 0.00 C ATOM 371 O ARG A 27 -7.003 -1.840 -5.291 1.00 0.00 O ATOM 372 CB ARG A 27 -6.155 1.066 -3.882 1.00 0.00 C ATOM 373 CG ARG A 27 -7.664 0.858 -3.746 1.00 0.00 C ATOM 374 CD ARG A 27 -8.283 1.919 -2.834 1.00 0.00 C ATOM 375 NE ARG A 27 -8.865 1.278 -1.634 1.00 0.00 N ATOM 376 CZ ARG A 27 -9.362 1.953 -0.588 1.00 0.00 C ATOM 377 NH1 ARG A 27 -9.350 3.293 -0.588 1.00 0.00 N ATOM 378 NH2 ARG A 27 -9.871 1.287 0.458 1.00 0.00 N ATOM 0 H ARG A 27 -4.529 1.548 -5.716 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.043 -0.756 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.693 1.056 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.957 2.046 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.131 0.902 -4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.863 -0.135 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.524 2.643 -2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.055 2.469 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.890 0.259 -1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.963 3.800 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.728 3.806 0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.880 0.267 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.249 1.800 1.254 1.00 0.00 H new ATOM 392 N PRO A 28 -7.120 0.037 -6.602 1.00 0.00 N ATOM 393 CA PRO A 28 -8.166 -0.484 -7.465 1.00 0.00 C ATOM 394 C PRO A 28 -7.608 -1.524 -8.438 1.00 0.00 C ATOM 395 O PRO A 28 -8.357 -2.127 -9.206 1.00 0.00 O ATOM 396 CB PRO A 28 -8.742 0.736 -8.165 1.00 0.00 C ATOM 397 CG PRO A 28 -7.697 1.831 -8.022 1.00 0.00 C ATOM 398 CD PRO A 28 -6.696 1.385 -6.968 1.00 0.00 C ATOM 0 HA PRO A 28 -8.942 -1.013 -6.912 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.945 0.524 -9.215 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.687 1.036 -7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.196 2.007 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.166 2.771 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.679 1.387 -7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.706 2.051 -6.105 1.00 0.00 H new ATOM 406 N THR A 29 -6.296 -1.702 -8.375 1.00 0.00 N ATOM 407 CA THR A 29 -5.628 -2.659 -9.242 1.00 0.00 C ATOM 408 C THR A 29 -5.546 -4.027 -8.561 1.00 0.00 C ATOM 409 O THR A 29 -6.046 -5.019 -9.090 1.00 0.00 O ATOM 410 CB THR A 29 -4.262 -2.083 -9.617 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.556 -1.124 -10.629 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.370 -3.107 -10.322 1.00 0.00 C ATOM 0 H THR A 29 -5.678 -1.200 -7.737 1.00 0.00 H new ATOM 0 HA THR A 29 -6.191 -2.822 -10.161 1.00 0.00 H new ATOM 0 HB THR A 29 -3.761 -1.721 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.841 -0.455 -10.664 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.412 -2.648 -10.567 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.206 -3.960 -9.664 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.856 -3.443 -11.238 1.00 0.00 H new ATOM 420 N VAL A 30 -4.910 -4.037 -7.399 1.00 0.00 N ATOM 421 CA VAL A 30 -4.754 -5.267 -6.641 1.00 0.00 C ATOM 422 C VAL A 30 -6.128 -5.906 -6.429 1.00 0.00 C ATOM 423 O VAL A 30 -6.256 -7.130 -6.446 1.00 0.00 O ATOM 424 CB VAL A 30 -4.019 -4.983 -5.330 1.00 0.00 C ATOM 425 CG1 VAL A 30 -2.513 -4.847 -5.565 1.00 0.00 C ATOM 426 CG2 VAL A 30 -4.581 -3.738 -4.642 1.00 0.00 C ATOM 0 H VAL A 30 -4.496 -3.213 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.143 -5.982 -7.193 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.180 -5.832 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.014 -4.645 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.126 -5.773 -5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.325 -4.025 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.040 -3.560 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.466 -2.876 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.638 -3.889 -4.423 1.00 0.00 H new ATOM 436 N GLN A 31 -7.121 -5.051 -6.233 1.00 0.00 N ATOM 437 CA GLN A 31 -8.479 -5.517 -6.019 1.00 0.00 C ATOM 438 C GLN A 31 -8.803 -6.666 -6.975 1.00 0.00 C ATOM 439 O GLN A 31 -9.158 -7.761 -6.539 1.00 0.00 O ATOM 440 CB GLN A 31 -9.484 -4.374 -6.175 1.00 0.00 C ATOM 441 CG GLN A 31 -9.602 -3.566 -4.882 1.00 0.00 C ATOM 442 CD GLN A 31 -10.620 -2.434 -5.032 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.725 -2.618 -5.517 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.188 -1.256 -4.591 1.00 0.00 N ATOM 0 H GLN A 31 -7.011 -4.037 -6.218 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.557 -5.887 -4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.172 -3.720 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.460 -4.778 -6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.901 -4.223 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.629 -3.152 -4.618 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.251 -1.172 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.793 -0.437 -4.648 1.00 0.00 H new ATOM 453 N GLU A 32 -8.671 -6.379 -8.262 1.00 0.00 N ATOM 454 CA GLU A 32 -8.945 -7.375 -9.283 1.00 0.00 C ATOM 455 C GLU A 32 -8.386 -8.735 -8.862 1.00 0.00 C ATOM 456 O GLU A 32 -8.943 -9.775 -9.213 1.00 0.00 O ATOM 457 CB GLU A 32 -8.376 -6.943 -10.636 1.00 0.00 C ATOM 458 CG GLU A 32 -9.451 -6.272 -11.494 1.00 0.00 C ATOM 459 CD GLU A 32 -9.353 -6.728 -12.951 1.00 0.00 C ATOM 460 OE1 GLU A 32 -8.206 -6.828 -13.439 1.00 0.00 O ATOM 461 OE2 GLU A 32 -10.427 -6.964 -13.545 1.00 0.00 O ATOM 0 H GLU A 32 -8.378 -5.470 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.026 -7.467 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.546 -6.254 -10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.976 -7.811 -11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.438 -6.512 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.341 -5.189 -11.440 1.00 0.00 H new ATOM 468 N ASP A 33 -7.292 -8.684 -8.117 1.00 0.00 N ATOM 469 CA ASP A 33 -6.652 -9.900 -7.644 1.00 0.00 C ATOM 470 C ASP A 33 -7.649 -10.706 -6.810 1.00 0.00 C ATOM 471 O ASP A 33 -7.972 -11.844 -7.150 1.00 0.00 O ATOM 472 CB ASP A 33 -5.446 -9.579 -6.759 1.00 0.00 C ATOM 473 CG ASP A 33 -4.512 -10.760 -6.486 1.00 0.00 C ATOM 474 OD1 ASP A 33 -3.701 -11.063 -7.387 1.00 0.00 O ATOM 475 OD2 ASP A 33 -4.630 -11.333 -5.381 1.00 0.00 O ATOM 0 H ASP A 33 -6.832 -7.820 -7.829 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.321 -10.466 -8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.871 -8.782 -7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.806 -9.192 -5.806 1.00 0.00 H new ATOM 480 N GLY A 34 -8.110 -10.085 -5.735 1.00 0.00 N ATOM 481 CA GLY A 34 -9.065 -10.731 -4.849 1.00 0.00 C ATOM 482 C GLY A 34 -9.335 -9.871 -3.613 1.00 0.00 C ATOM 483 O GLY A 34 -10.487 -9.611 -3.272 1.00 0.00 O ATOM 0 H GLY A 34 -7.841 -9.141 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.998 -10.910 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.681 -11.704 -4.543 1.00 0.00 H new ATOM 487 N GLY A 35 -8.252 -9.453 -2.974 1.00 0.00 N ATOM 488 CA GLY A 35 -8.357 -8.627 -1.784 1.00 0.00 C ATOM 489 C GLY A 35 -8.297 -7.140 -2.140 1.00 0.00 C ATOM 490 O GLY A 35 -9.028 -6.678 -3.015 1.00 0.00 O ATOM 0 H GLY A 35 -7.297 -9.671 -3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.293 -8.843 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.549 -8.872 -1.095 1.00 0.00 H new ATOM 494 N ASP A 36 -7.420 -6.432 -1.443 1.00 0.00 N ATOM 495 CA ASP A 36 -7.255 -5.007 -1.676 1.00 0.00 C ATOM 496 C ASP A 36 -6.117 -4.480 -0.799 1.00 0.00 C ATOM 497 O ASP A 36 -5.789 -5.079 0.224 1.00 0.00 O ATOM 498 CB ASP A 36 -8.528 -4.239 -1.311 1.00 0.00 C ATOM 499 CG ASP A 36 -9.431 -4.933 -0.291 1.00 0.00 C ATOM 500 OD1 ASP A 36 -8.885 -5.727 0.504 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.649 -4.653 -0.328 1.00 0.00 O ATOM 0 H ASP A 36 -6.817 -6.818 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.036 -4.861 -2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.245 -3.262 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.102 -4.063 -2.221 1.00 0.00 H new ATOM 506 N VAL A 37 -5.548 -3.365 -1.231 1.00 0.00 N ATOM 507 CA VAL A 37 -4.453 -2.752 -0.498 1.00 0.00 C ATOM 508 C VAL A 37 -4.948 -1.464 0.165 1.00 0.00 C ATOM 509 O VAL A 37 -5.296 -0.503 -0.520 1.00 0.00 O ATOM 510 CB VAL A 37 -3.261 -2.523 -1.430 1.00 0.00 C ATOM 511 CG1 VAL A 37 -2.171 -1.705 -0.736 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.706 -3.852 -1.945 1.00 0.00 C ATOM 0 H VAL A 37 -5.824 -2.870 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.106 -3.415 0.294 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.612 -1.951 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.336 -1.557 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.575 -0.736 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.824 -2.238 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.860 -3.662 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.379 -4.461 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.483 -4.382 -2.495 1.00 0.00 H new ATOM 522 N ILE A 38 -4.965 -1.488 1.489 1.00 0.00 N ATOM 523 CA ILE A 38 -5.413 -0.334 2.253 1.00 0.00 C ATOM 524 C ILE A 38 -4.260 0.175 3.121 1.00 0.00 C ATOM 525 O ILE A 38 -3.746 -0.557 3.967 1.00 0.00 O ATOM 526 CB ILE A 38 -6.676 -0.674 3.044 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.714 -1.360 2.153 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.244 0.571 3.730 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.489 -2.874 2.117 1.00 0.00 C ATOM 0 H ILE A 38 -4.676 -2.287 2.053 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.693 0.481 1.586 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.407 -1.381 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.716 -1.146 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.656 -0.956 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.142 0.302 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.501 0.979 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.493 1.319 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.239 -3.338 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.495 -3.085 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.572 -3.278 3.126 1.00 0.00 H new ATOM 541 N TYR A 39 -3.889 1.423 2.883 1.00 0.00 N ATOM 542 CA TYR A 39 -2.807 2.039 3.633 1.00 0.00 C ATOM 543 C TYR A 39 -3.289 2.505 5.008 1.00 0.00 C ATOM 544 O TYR A 39 -3.991 3.510 5.116 1.00 0.00 O ATOM 545 CB TYR A 39 -2.369 3.258 2.818 1.00 0.00 C ATOM 546 CG TYR A 39 -1.828 4.410 3.667 1.00 0.00 C ATOM 547 CD1 TYR A 39 -1.143 4.145 4.836 1.00 0.00 C ATOM 548 CD2 TYR A 39 -2.024 5.715 3.264 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.633 5.229 5.634 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.515 6.800 4.062 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.845 6.505 5.207 1.00 0.00 C ATOM 552 OH TYR A 39 -0.363 7.529 5.961 1.00 0.00 O ATOM 0 H TYR A 39 -4.318 2.026 2.181 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.996 1.328 3.790 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.601 2.951 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.217 3.617 2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.990 3.124 5.152 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.560 5.923 2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.095 5.035 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.662 7.826 3.757 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.124 7.196 6.851 1.00 0.00 H new ATOM 562 N ARG A 40 -2.893 1.752 6.024 1.00 0.00 N ATOM 563 CA ARG A 40 -3.277 2.076 7.388 1.00 0.00 C ATOM 564 C ARG A 40 -2.039 2.143 8.286 1.00 0.00 C ATOM 565 O ARG A 40 -1.617 1.130 8.842 1.00 0.00 O ATOM 566 CB ARG A 40 -4.249 1.037 7.948 1.00 0.00 C ATOM 567 CG ARG A 40 -5.319 0.675 6.915 1.00 0.00 C ATOM 568 CD ARG A 40 -6.431 1.725 6.886 1.00 0.00 C ATOM 569 NE ARG A 40 -7.750 1.070 7.030 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.295 0.732 8.206 1.00 0.00 C ATOM 571 NH1 ARG A 40 -7.639 0.985 9.347 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.498 0.141 8.241 1.00 0.00 N ATOM 0 H ARG A 40 -2.311 0.920 5.930 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.771 3.047 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.701 0.141 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.724 1.426 8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.864 0.595 5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.742 -0.301 7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.284 2.445 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.393 2.282 5.950 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.277 0.863 6.181 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.724 1.435 9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.055 0.727 10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.997 -0.051 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.914 -0.117 9.136 1.00 0.00 H new ATOM 586 N GLY A 41 -1.493 3.345 8.399 1.00 0.00 N ATOM 587 CA GLY A 41 -0.312 3.556 9.219 1.00 0.00 C ATOM 588 C GLY A 41 0.921 3.811 8.350 1.00 0.00 C ATOM 589 O GLY A 41 1.189 3.063 7.411 1.00 0.00 O ATOM 0 H GLY A 41 -1.847 4.183 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.474 4.404 9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.142 2.683 9.850 1.00 0.00 H new ATOM 593 N PHE A 42 1.639 4.871 8.694 1.00 0.00 N ATOM 594 CA PHE A 42 2.837 5.234 7.957 1.00 0.00 C ATOM 595 C PHE A 42 3.915 5.776 8.898 1.00 0.00 C ATOM 596 O PHE A 42 3.748 6.840 9.492 1.00 0.00 O ATOM 597 CB PHE A 42 2.438 6.333 6.970 1.00 0.00 C ATOM 598 CG PHE A 42 3.584 6.809 6.074 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.615 7.516 6.608 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.569 6.527 4.744 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.678 7.959 5.776 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.631 6.968 3.912 1.00 0.00 C ATOM 603 CZ PHE A 42 5.664 7.675 4.446 1.00 0.00 C ATOM 0 H PHE A 42 1.414 5.489 9.473 1.00 0.00 H new ATOM 0 HA PHE A 42 3.242 4.359 7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.627 5.966 6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.048 7.185 7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.626 7.741 7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.748 5.967 4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.497 8.521 6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.619 6.743 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.473 8.011 3.814 1.00 0.00 H new ATOM 613 N GLU A 43 4.998 5.020 9.003 1.00 0.00 N ATOM 614 CA GLU A 43 6.104 5.411 9.860 1.00 0.00 C ATOM 615 C GLU A 43 7.437 5.040 9.210 1.00 0.00 C ATOM 616 O GLU A 43 7.504 4.110 8.407 1.00 0.00 O ATOM 617 CB GLU A 43 5.974 4.775 11.246 1.00 0.00 C ATOM 618 CG GLU A 43 6.052 5.836 12.346 1.00 0.00 C ATOM 619 CD GLU A 43 7.091 5.454 13.403 1.00 0.00 C ATOM 620 OE1 GLU A 43 6.855 4.436 14.087 1.00 0.00 O ATOM 621 OE2 GLU A 43 8.096 6.190 13.502 1.00 0.00 O ATOM 0 H GLU A 43 5.133 4.138 8.508 1.00 0.00 H new ATOM 0 HA GLU A 43 6.074 6.493 9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.026 4.241 11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.766 4.040 11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.310 6.800 11.909 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.075 5.951 12.816 1.00 0.00 H new ATOM 628 N ASP A 44 8.468 5.787 9.579 1.00 0.00 N ATOM 629 CA ASP A 44 9.796 5.547 9.041 1.00 0.00 C ATOM 630 C ASP A 44 9.687 5.218 7.551 1.00 0.00 C ATOM 631 O ASP A 44 10.509 4.477 7.013 1.00 0.00 O ATOM 632 CB ASP A 44 10.469 4.364 9.739 1.00 0.00 C ATOM 633 CG ASP A 44 11.911 4.093 9.307 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.696 5.067 9.307 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.197 2.919 8.988 1.00 0.00 O ATOM 0 H ASP A 44 8.410 6.558 10.244 1.00 0.00 H new ATOM 0 HA ASP A 44 10.391 6.446 9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.455 4.540 10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.876 3.468 9.555 1.00 0.00 H new ATOM 640 N GLY A 45 8.663 5.782 6.926 1.00 0.00 N ATOM 641 CA GLY A 45 8.436 5.557 5.509 1.00 0.00 C ATOM 642 C GLY A 45 7.638 4.272 5.279 1.00 0.00 C ATOM 643 O GLY A 45 6.724 4.243 4.456 1.00 0.00 O ATOM 0 H GLY A 45 7.982 6.394 7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.898 6.404 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.392 5.494 4.989 1.00 0.00 H new ATOM 647 N ILE A 46 8.015 3.240 6.021 1.00 0.00 N ATOM 648 CA ILE A 46 7.345 1.955 5.908 1.00 0.00 C ATOM 649 C ILE A 46 5.831 2.168 5.938 1.00 0.00 C ATOM 650 O ILE A 46 5.248 2.357 7.005 1.00 0.00 O ATOM 651 CB ILE A 46 7.853 0.991 6.983 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.267 0.504 6.660 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.877 -0.171 7.181 1.00 0.00 C ATOM 654 CD1 ILE A 46 10.300 1.185 7.560 1.00 0.00 C ATOM 0 H ILE A 46 8.774 3.268 6.701 1.00 0.00 H new ATOM 0 HA ILE A 46 7.581 1.485 4.953 1.00 0.00 H new ATOM 0 HB ILE A 46 7.908 1.531 7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.322 -0.577 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.497 0.711 5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.261 -0.842 7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.907 0.218 7.490 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.767 -0.718 6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.297 0.821 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.259 2.264 7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.081 0.956 8.603 1.00 0.00 H new ATOM 666 N VAL A 47 5.236 2.132 4.756 1.00 0.00 N ATOM 667 CA VAL A 47 3.801 2.319 4.633 1.00 0.00 C ATOM 668 C VAL A 47 3.089 1.006 4.967 1.00 0.00 C ATOM 669 O VAL A 47 3.425 -0.043 4.421 1.00 0.00 O ATOM 670 CB VAL A 47 3.458 2.846 3.239 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.949 3.039 3.080 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.211 4.144 2.942 1.00 0.00 C ATOM 0 H VAL A 47 5.722 1.976 3.873 1.00 0.00 H new ATOM 0 HA VAL A 47 3.452 3.069 5.344 1.00 0.00 H new ATOM 0 HB VAL A 47 3.778 2.099 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.734 3.414 2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.443 2.085 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.594 3.755 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.949 4.497 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.937 4.900 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.284 3.961 2.992 1.00 0.00 H new ATOM 682 N ARG A 48 2.118 1.107 5.864 1.00 0.00 N ATOM 683 CA ARG A 48 1.357 -0.058 6.279 1.00 0.00 C ATOM 684 C ARG A 48 0.146 -0.254 5.363 1.00 0.00 C ATOM 685 O ARG A 48 -0.806 0.523 5.413 1.00 0.00 O ATOM 686 CB ARG A 48 0.877 0.081 7.724 1.00 0.00 C ATOM 687 CG ARG A 48 2.056 0.043 8.699 1.00 0.00 C ATOM 688 CD ARG A 48 1.578 -0.239 10.125 1.00 0.00 C ATOM 689 NE ARG A 48 1.813 0.944 10.981 1.00 0.00 N ATOM 690 CZ ARG A 48 3.017 1.318 11.433 1.00 0.00 C ATOM 691 NH1 ARG A 48 4.105 0.603 11.113 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.136 2.407 12.205 1.00 0.00 N ATOM 0 H ARG A 48 1.841 1.979 6.315 1.00 0.00 H new ATOM 0 HA ARG A 48 2.015 -0.924 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.333 1.018 7.842 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.180 -0.724 7.959 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.764 -0.726 8.390 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.587 0.995 8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.517 -0.489 10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.106 -1.102 10.530 1.00 0.00 H new ATOM 0 HE ARG A 48 1.007 1.511 11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.016 -0.226 10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.022 0.888 11.457 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.309 2.952 12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.053 2.691 12.549 1.00 0.00 H new ATOM 706 N LEU A 49 0.222 -1.297 4.548 1.00 0.00 N ATOM 707 CA LEU A 49 -0.855 -1.603 3.624 1.00 0.00 C ATOM 708 C LEU A 49 -1.530 -2.909 4.049 1.00 0.00 C ATOM 709 O LEU A 49 -0.866 -3.827 4.531 1.00 0.00 O ATOM 710 CB LEU A 49 -0.337 -1.620 2.184 1.00 0.00 C ATOM 711 CG LEU A 49 0.422 -0.372 1.731 1.00 0.00 C ATOM 712 CD1 LEU A 49 -0.377 0.896 2.033 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.823 -0.328 2.346 1.00 0.00 C ATOM 0 H LEU A 49 1.013 -1.940 4.509 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.617 -0.824 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.318 -2.483 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.185 -1.768 1.515 1.00 0.00 H new ATOM 0 HG LEU A 49 0.547 -0.423 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.186 1.768 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.331 0.858 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.556 0.967 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.341 0.569 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.743 -0.313 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.384 -1.210 2.036 1.00 0.00 H new ATOM 725 N LYS A 50 -2.840 -2.951 3.856 1.00 0.00 N ATOM 726 CA LYS A 50 -3.612 -4.129 4.213 1.00 0.00 C ATOM 727 C LYS A 50 -3.892 -4.952 2.954 1.00 0.00 C ATOM 728 O LYS A 50 -5.029 -5.012 2.488 1.00 0.00 O ATOM 729 CB LYS A 50 -4.874 -3.730 4.981 1.00 0.00 C ATOM 730 CG LYS A 50 -5.698 -4.962 5.360 1.00 0.00 C ATOM 731 CD LYS A 50 -6.884 -4.577 6.246 1.00 0.00 C ATOM 732 CE LYS A 50 -6.434 -3.696 7.413 1.00 0.00 C ATOM 733 NZ LYS A 50 -7.206 -4.018 8.633 1.00 0.00 N ATOM 0 H LYS A 50 -3.387 -2.188 3.457 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.043 -4.766 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.598 -3.182 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.478 -3.058 4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.059 -5.454 4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.066 -5.680 5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.629 -4.047 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.363 -5.478 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.370 -3.844 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.570 -2.645 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.888 -3.411 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.218 -3.854 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.056 -5.016 8.886 1.00 0.00 H new ATOM 747 N LEU A 51 -2.836 -5.564 2.439 1.00 0.00 N ATOM 748 CA LEU A 51 -2.954 -6.381 1.242 1.00 0.00 C ATOM 749 C LEU A 51 -3.307 -7.815 1.643 1.00 0.00 C ATOM 750 O LEU A 51 -2.755 -8.349 2.603 1.00 0.00 O ATOM 751 CB LEU A 51 -1.686 -6.274 0.394 1.00 0.00 C ATOM 752 CG LEU A 51 -1.421 -7.436 -0.565 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.683 -7.800 -1.348 1.00 0.00 C ATOM 754 CD2 LEU A 51 -0.242 -7.125 -1.490 1.00 0.00 C ATOM 0 H LEU A 51 -1.895 -5.511 2.828 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.764 -6.017 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.738 -5.354 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.831 -6.180 1.064 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.146 -8.310 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.467 -8.629 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.470 -8.093 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.013 -6.938 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.075 -7.967 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.464 -6.233 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.654 -6.954 -0.893 1.00 0.00 H new ATOM 988 N GLY A 68 7.118 -4.593 -7.784 1.00 0.00 N ATOM 989 CA GLY A 68 7.096 -3.442 -8.670 1.00 0.00 C ATOM 990 C GLY A 68 6.478 -2.228 -7.976 1.00 0.00 C ATOM 991 O GLY A 68 7.051 -1.139 -7.994 1.00 0.00 O ATOM 0 HA2 GLY A 68 8.111 -3.205 -8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.527 -3.681 -9.568 1.00 0.00 H new ATOM 995 N ILE A 69 5.315 -2.453 -7.382 1.00 0.00 N ATOM 996 CA ILE A 69 4.613 -1.391 -6.683 1.00 0.00 C ATOM 997 C ILE A 69 5.528 -0.801 -5.608 1.00 0.00 C ATOM 998 O ILE A 69 5.720 0.412 -5.549 1.00 0.00 O ATOM 999 CB ILE A 69 3.275 -1.899 -6.141 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.328 -2.275 -7.282 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.648 -0.881 -5.186 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.553 -3.553 -6.954 1.00 0.00 C ATOM 0 H ILE A 69 4.841 -3.356 -7.371 1.00 0.00 H new ATOM 0 HA ILE A 69 4.366 -0.582 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 69 3.462 -2.806 -5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.629 -1.458 -7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.898 -2.417 -8.200 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.698 -1.267 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.321 -0.707 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.477 0.057 -5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.887 -3.797 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.254 -4.373 -6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.965 -3.400 -6.049 1.00 0.00 H new ATOM 1014 N GLN A 70 6.068 -1.688 -4.784 1.00 0.00 N ATOM 1015 CA GLN A 70 6.958 -1.270 -3.714 1.00 0.00 C ATOM 1016 C GLN A 70 7.959 -0.235 -4.231 1.00 0.00 C ATOM 1017 O GLN A 70 8.196 0.783 -3.581 1.00 0.00 O ATOM 1018 CB GLN A 70 7.679 -2.472 -3.101 1.00 0.00 C ATOM 1019 CG GLN A 70 8.708 -2.022 -2.062 1.00 0.00 C ATOM 1020 CD GLN A 70 9.662 -3.164 -1.704 1.00 0.00 C ATOM 1021 OE1 GLN A 70 9.432 -3.935 -0.788 1.00 0.00 O ATOM 1022 NE2 GLN A 70 10.742 -3.229 -2.478 1.00 0.00 N ATOM 0 H GLN A 70 5.906 -2.694 -4.836 1.00 0.00 H new ATOM 0 HA GLN A 70 6.360 -0.807 -2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.953 -3.137 -2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.175 -3.042 -3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.276 -1.177 -2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.196 -1.676 -1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.873 -2.551 -3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.439 -3.957 -2.321 1.00 0.00 H new ATOM 1031 N ASN A 71 8.521 -0.531 -5.394 1.00 0.00 N ATOM 1032 CA ASN A 71 9.491 0.362 -6.005 1.00 0.00 C ATOM 1033 C ASN A 71 8.780 1.629 -6.484 1.00 0.00 C ATOM 1034 O ASN A 71 9.233 2.740 -6.211 1.00 0.00 O ATOM 1035 CB ASN A 71 10.157 -0.294 -7.216 1.00 0.00 C ATOM 1036 CG ASN A 71 11.665 -0.435 -7.004 1.00 0.00 C ATOM 1037 OD1 ASN A 71 12.162 -1.449 -6.544 1.00 0.00 O ATOM 1038 ND2 ASN A 71 12.364 0.638 -7.363 1.00 0.00 N ATOM 0 H ASN A 71 8.323 -1.376 -5.929 1.00 0.00 H new ATOM 0 HA ASN A 71 10.251 0.596 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.717 -1.276 -7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.966 0.303 -8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.379 0.644 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.885 1.455 -7.742 1.00 0.00 H new ATOM 1045 N MET A 72 7.679 1.421 -7.190 1.00 0.00 N ATOM 1046 CA MET A 72 6.902 2.533 -7.710 1.00 0.00 C ATOM 1047 C MET A 72 6.612 3.560 -6.614 1.00 0.00 C ATOM 1048 O MET A 72 6.862 4.751 -6.792 1.00 0.00 O ATOM 1049 CB MET A 72 5.582 2.011 -8.282 1.00 0.00 C ATOM 1050 CG MET A 72 4.735 3.155 -8.840 1.00 0.00 C ATOM 1051 SD MET A 72 3.751 2.575 -10.211 1.00 0.00 S ATOM 1052 CE MET A 72 2.882 1.231 -9.421 1.00 0.00 C ATOM 0 H MET A 72 7.306 0.498 -7.414 1.00 0.00 H new ATOM 0 HA MET A 72 7.481 3.020 -8.494 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.785 1.286 -9.070 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.026 1.488 -7.504 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.087 3.553 -8.059 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.380 3.971 -9.165 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.857 1.194 -9.790 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.383 0.290 -9.648 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.874 1.387 -8.342 1.00 0.00 H new ATOM 1062 N LEU A 73 6.090 3.060 -5.503 1.00 0.00 N ATOM 1063 CA LEU A 73 5.764 3.919 -4.377 1.00 0.00 C ATOM 1064 C LEU A 73 6.979 4.781 -4.030 1.00 0.00 C ATOM 1065 O LEU A 73 6.912 6.008 -4.084 1.00 0.00 O ATOM 1066 CB LEU A 73 5.242 3.089 -3.202 1.00 0.00 C ATOM 1067 CG LEU A 73 4.160 3.747 -2.345 1.00 0.00 C ATOM 1068 CD1 LEU A 73 2.925 4.082 -3.184 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.813 2.874 -1.137 1.00 0.00 C ATOM 0 H LEU A 73 5.885 2.071 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 73 4.954 4.600 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.848 2.151 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.085 2.837 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 73 4.553 4.688 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.171 4.549 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.203 4.769 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.520 3.167 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.041 3.364 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.447 1.906 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.703 2.729 -0.525 1.00 0.00 H new ATOM 1081 N GLN A 74 8.063 4.105 -3.680 1.00 0.00 N ATOM 1082 CA GLN A 74 9.293 4.793 -3.324 1.00 0.00 C ATOM 1083 C GLN A 74 9.741 5.706 -4.466 1.00 0.00 C ATOM 1084 O GLN A 74 9.972 6.896 -4.261 1.00 0.00 O ATOM 1085 CB GLN A 74 10.393 3.795 -2.956 1.00 0.00 C ATOM 1086 CG GLN A 74 10.440 3.563 -1.444 1.00 0.00 C ATOM 1087 CD GLN A 74 10.838 2.122 -1.123 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.961 1.697 -1.341 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.859 1.394 -0.593 1.00 0.00 N ATOM 0 H GLN A 74 8.116 3.087 -3.635 1.00 0.00 H new ATOM 0 HA GLN A 74 9.100 5.410 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.216 2.849 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.358 4.168 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.153 4.251 -0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.465 3.780 -1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.941 1.811 -0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.026 0.419 -0.343 1.00 0.00 H new ATOM 1098 N PHE A 75 9.850 5.113 -5.647 1.00 0.00 N ATOM 1099 CA PHE A 75 10.266 5.858 -6.823 1.00 0.00 C ATOM 1100 C PHE A 75 9.585 7.228 -6.874 1.00 0.00 C ATOM 1101 O PHE A 75 10.255 8.255 -6.968 1.00 0.00 O ATOM 1102 CB PHE A 75 9.836 5.043 -8.043 1.00 0.00 C ATOM 1103 CG PHE A 75 9.666 5.873 -9.319 1.00 0.00 C ATOM 1104 CD1 PHE A 75 8.482 6.488 -9.576 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.701 5.995 -10.193 1.00 0.00 C ATOM 1106 CE1 PHE A 75 8.325 7.258 -10.759 1.00 0.00 C ATOM 1107 CE2 PHE A 75 10.544 6.765 -11.375 1.00 0.00 C ATOM 1108 CZ PHE A 75 9.360 7.381 -11.633 1.00 0.00 C ATOM 0 H PHE A 75 9.657 4.125 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 75 11.344 6.019 -6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.576 4.263 -8.225 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.894 4.543 -7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.661 6.391 -8.881 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.642 5.506 -9.988 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.384 7.746 -10.965 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.365 6.862 -12.070 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.241 7.968 -12.532 1.00 0.00 H new ATOM 1118 N TYR A 76 8.262 7.197 -6.809 1.00 0.00 N ATOM 1119 CA TYR A 76 7.483 8.424 -6.846 1.00 0.00 C ATOM 1120 C TYR A 76 7.650 9.220 -5.550 1.00 0.00 C ATOM 1121 O TYR A 76 8.035 10.388 -5.579 1.00 0.00 O ATOM 1122 CB TYR A 76 6.021 7.992 -6.981 1.00 0.00 C ATOM 1123 CG TYR A 76 5.579 7.731 -8.422 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.583 8.760 -9.341 1.00 0.00 C ATOM 1125 CD2 TYR A 76 5.178 6.467 -8.803 1.00 0.00 C ATOM 1126 CE1 TYR A 76 5.167 8.515 -10.698 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.761 6.221 -10.159 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.776 7.258 -11.040 1.00 0.00 C ATOM 1129 OH TYR A 76 4.384 7.026 -12.321 1.00 0.00 O ATOM 0 H TYR A 76 7.710 6.343 -6.731 1.00 0.00 H new ATOM 0 HA TYR A 76 7.809 9.060 -7.669 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.865 7.087 -6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.384 8.764 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.898 9.749 -9.043 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.177 5.662 -8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.166 9.311 -11.427 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.444 5.236 -10.470 1.00 0.00 H new ATOM 0 HH TYR A 76 4.133 6.084 -12.421 1.00 0.00 H new ATOM 1139 N ILE A 77 7.353 8.554 -4.443 1.00 0.00 N ATOM 1140 CA ILE A 77 7.465 9.185 -3.139 1.00 0.00 C ATOM 1141 C ILE A 77 8.771 8.744 -2.475 1.00 0.00 C ATOM 1142 O ILE A 77 8.942 7.568 -2.154 1.00 0.00 O ATOM 1143 CB ILE A 77 6.221 8.900 -2.296 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.950 9.323 -3.036 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.328 9.556 -0.919 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.786 10.845 -3.017 1.00 0.00 C ATOM 0 H ILE A 77 7.035 7.585 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 77 7.509 10.269 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 77 6.157 7.824 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.991 8.971 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.082 8.854 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.430 9.337 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.201 9.164 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.430 10.635 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.875 11.120 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.722 11.191 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.644 11.310 -3.503 1.00 0.00 H new ATOM 1158 N PRO A 78 9.682 9.735 -2.282 1.00 0.00 N ATOM 1159 CA PRO A 78 10.967 9.460 -1.662 1.00 0.00 C ATOM 1160 C PRO A 78 10.816 9.259 -0.153 1.00 0.00 C ATOM 1161 O PRO A 78 11.749 8.815 0.514 1.00 0.00 O ATOM 1162 CB PRO A 78 11.838 10.654 -2.019 1.00 0.00 C ATOM 1163 CG PRO A 78 10.882 11.762 -2.426 1.00 0.00 C ATOM 1164 CD PRO A 78 9.514 11.137 -2.649 1.00 0.00 C ATOM 0 HA PRO A 78 11.418 8.534 -2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.450 10.959 -1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.521 10.409 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.831 12.526 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.231 12.253 -3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.754 11.619 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.197 11.239 -3.687 1.00 0.00 H new ATOM 1172 N GLU A 79 9.634 9.597 0.340 1.00 0.00 N ATOM 1173 CA GLU A 79 9.349 9.459 1.759 1.00 0.00 C ATOM 1174 C GLU A 79 9.376 7.985 2.165 1.00 0.00 C ATOM 1175 O GLU A 79 10.290 7.545 2.861 1.00 0.00 O ATOM 1176 CB GLU A 79 8.006 10.101 2.113 1.00 0.00 C ATOM 1177 CG GLU A 79 7.999 11.589 1.760 1.00 0.00 C ATOM 1178 CD GLU A 79 7.945 12.452 3.023 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.485 11.988 4.051 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.365 13.556 2.933 1.00 0.00 O ATOM 0 H GLU A 79 8.863 9.966 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 79 10.124 9.983 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.204 9.593 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.808 9.975 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.892 11.834 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.141 11.812 1.126 1.00 0.00 H new ATOM 1187 N VAL A 80 8.362 7.261 1.714 1.00 0.00 N ATOM 1188 CA VAL A 80 8.259 5.844 2.021 1.00 0.00 C ATOM 1189 C VAL A 80 9.617 5.178 1.800 1.00 0.00 C ATOM 1190 O VAL A 80 10.344 5.534 0.875 1.00 0.00 O ATOM 1191 CB VAL A 80 7.140 5.209 1.193 1.00 0.00 C ATOM 1192 CG1 VAL A 80 7.116 5.782 -0.226 1.00 0.00 C ATOM 1193 CG2 VAL A 80 7.274 3.686 1.167 1.00 0.00 C ATOM 0 H VAL A 80 7.605 7.629 1.138 1.00 0.00 H new ATOM 0 HA VAL A 80 7.993 5.699 3.068 1.00 0.00 H new ATOM 0 HB VAL A 80 6.190 5.453 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.312 5.314 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.950 6.858 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.069 5.582 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.466 3.260 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.233 3.413 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.219 3.298 2.184 1.00 0.00 H new ATOM 1203 N GLU A 81 9.920 4.222 2.667 1.00 0.00 N ATOM 1204 CA GLU A 81 11.179 3.502 2.578 1.00 0.00 C ATOM 1205 C GLU A 81 10.925 2.014 2.336 1.00 0.00 C ATOM 1206 O GLU A 81 11.511 1.418 1.435 1.00 0.00 O ATOM 1207 CB GLU A 81 12.023 3.717 3.836 1.00 0.00 C ATOM 1208 CG GLU A 81 12.665 5.106 3.837 1.00 0.00 C ATOM 1209 CD GLU A 81 14.189 5.006 3.918 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.735 4.101 3.252 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.774 5.838 4.646 1.00 0.00 O ATOM 0 H GLU A 81 9.315 3.930 3.434 1.00 0.00 H new ATOM 0 HA GLU A 81 11.741 3.896 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.398 3.601 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.799 2.954 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.380 5.643 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.290 5.683 4.682 1.00 0.00 H new ATOM 1218 N GLY A 82 10.048 1.455 3.159 1.00 0.00 N ATOM 1219 CA GLY A 82 9.707 0.047 3.046 1.00 0.00 C ATOM 1220 C GLY A 82 8.198 -0.141 2.885 1.00 0.00 C ATOM 1221 O GLY A 82 7.452 0.834 2.805 1.00 0.00 O ATOM 0 H GLY A 82 9.564 1.952 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.224 -0.389 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.051 -0.486 3.932 1.00 0.00 H new ATOM 1225 N VAL A 83 7.792 -1.401 2.842 1.00 0.00 N ATOM 1226 CA VAL A 83 6.384 -1.730 2.694 1.00 0.00 C ATOM 1227 C VAL A 83 6.055 -2.948 3.559 1.00 0.00 C ATOM 1228 O VAL A 83 6.892 -3.832 3.737 1.00 0.00 O ATOM 1229 CB VAL A 83 6.050 -1.939 1.215 1.00 0.00 C ATOM 1230 CG1 VAL A 83 4.548 -2.147 1.017 1.00 0.00 C ATOM 1231 CG2 VAL A 83 6.558 -0.771 0.367 1.00 0.00 C ATOM 0 H VAL A 83 8.414 -2.207 2.907 1.00 0.00 H new ATOM 0 HA VAL A 83 5.760 -0.907 3.042 1.00 0.00 H new ATOM 0 HB VAL A 83 6.561 -2.842 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.337 -2.293 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.226 -3.026 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.009 -1.271 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.307 -0.945 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.089 0.154 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.640 -0.688 0.472 1.00 0.00 H new ATOM 1241 N GLU A 84 4.834 -2.955 4.072 1.00 0.00 N ATOM 1242 CA GLU A 84 4.383 -4.050 4.915 1.00 0.00 C ATOM 1243 C GLU A 84 2.895 -4.319 4.684 1.00 0.00 C ATOM 1244 O GLU A 84 2.097 -3.386 4.599 1.00 0.00 O ATOM 1245 CB GLU A 84 4.665 -3.758 6.390 1.00 0.00 C ATOM 1246 CG GLU A 84 5.314 -4.963 7.074 1.00 0.00 C ATOM 1247 CD GLU A 84 4.376 -6.172 7.062 1.00 0.00 C ATOM 1248 OE1 GLU A 84 3.256 -6.026 7.599 1.00 0.00 O ATOM 1249 OE2 GLU A 84 4.799 -7.214 6.515 1.00 0.00 O ATOM 0 H GLU A 84 4.143 -2.220 3.921 1.00 0.00 H new ATOM 0 HA GLU A 84 4.941 -4.946 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.321 -2.891 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.735 -3.504 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.245 -5.216 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.570 -4.707 8.102 1.00 0.00 H new ATOM 1256 N GLN A 85 2.566 -5.600 4.589 1.00 0.00 N ATOM 1257 CA GLN A 85 1.187 -6.003 4.370 1.00 0.00 C ATOM 1258 C GLN A 85 0.483 -6.238 5.707 1.00 0.00 C ATOM 1259 O GLN A 85 0.257 -7.381 6.102 1.00 0.00 O ATOM 1260 CB GLN A 85 1.116 -7.251 3.487 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.315 -7.788 3.412 1.00 0.00 C ATOM 1262 CD GLN A 85 -0.391 -9.218 3.952 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.974 -9.487 4.990 1.00 0.00 O ATOM 1264 NE2 GLN A 85 0.227 -10.118 3.191 1.00 0.00 N ATOM 0 H GLN A 85 3.230 -6.371 4.660 1.00 0.00 H new ATOM 0 HA GLN A 85 0.672 -5.197 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.472 -7.013 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.777 -8.021 3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -0.980 -7.143 3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.662 -7.766 2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.696 -9.825 2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.232 -11.101 3.465 1.00 0.00 H new ATOM 1273 N VAL A 86 0.157 -5.137 6.368 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.517 -5.208 7.654 1.00 0.00 C ATOM 1275 C VAL A 86 -1.723 -6.143 7.541 1.00 0.00 C ATOM 1276 O VAL A 86 -2.508 -6.038 6.601 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.891 -3.802 8.127 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.347 -3.029 8.583 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.643 -3.038 7.035 1.00 0.00 C ATOM 0 H VAL A 86 0.347 -4.191 6.038 1.00 0.00 H new ATOM 0 HA VAL A 86 0.147 -5.624 8.412 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.557 -3.903 8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.053 -2.033 8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.824 -3.559 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.048 -2.943 7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.897 -2.042 7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.012 -2.953 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.556 -3.575 6.779 1.00 0.00 H new