USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 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 76 ASN : amide:sc= -1.59! C(o=-2.8!,f=-4.6!) USER MOD Set 1.2: A 94 GLN : amide:sc= -1.16 K(o=-2.8,f=-1.6) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 24 THR OG1 : rot -78:sc= 1.33 USER MOD Single : A 25 SER OG : rot -12:sc= 0.875 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00303 USER MOD Single : A 40 TYR OH : rot 62:sc= -4.21! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.22! USER MOD Single : A 45 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 52 SER OG : rot 42:sc= -1.84! USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 56 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 60 THR OG1 : rot -24:sc= 0.551 USER MOD Single : A 62 ASN : amide:sc= -0.0345 X(o=-0.034,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 70 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.062) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.982 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc= -0.0104 USER MOD Single : A 85 ASN : amide:sc= -0.0948 X(o=-0.095,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 88 SER OG : rot -67:sc= -1.1! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0813 USER MOD Single : A 95 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.15) USER MOD Single : A 97 THR OG1 : rot -159:sc= 1.98 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 1.900 -11.547 4.185 1.00 0.00 N ATOM 142 CA ALA A 12 2.101 -10.253 3.549 1.00 0.00 C ATOM 143 C ALA A 12 3.527 -9.775 3.767 1.00 0.00 C ATOM 144 O ALA A 12 4.227 -10.285 4.645 1.00 0.00 O ATOM 145 CB ALA A 12 1.135 -9.238 4.132 1.00 0.00 C ATOM 0 HA ALA A 12 1.919 -10.358 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.290 -8.271 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.111 -9.569 3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.310 -9.143 5.204 1.00 0.00 H new ATOM 151 N PRO A 13 3.983 -8.788 2.982 1.00 0.00 N ATOM 152 CA PRO A 13 5.307 -8.193 3.166 1.00 0.00 C ATOM 153 C PRO A 13 5.431 -7.506 4.523 1.00 0.00 C ATOM 154 O PRO A 13 4.525 -6.775 4.935 1.00 0.00 O ATOM 155 CB PRO A 13 5.393 -7.154 2.041 1.00 0.00 C ATOM 156 CG PRO A 13 4.370 -7.580 1.048 1.00 0.00 C ATOM 157 CD PRO A 13 3.259 -8.166 1.858 1.00 0.00 C ATOM 0 HA PRO A 13 6.101 -8.939 3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.188 -6.150 2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.389 -7.133 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.021 -6.735 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.778 -8.312 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.558 -7.404 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.684 -8.897 1.290 1.00 0.00 H new ATOM 165 N PRO A 14 6.538 -7.752 5.249 1.00 0.00 N ATOM 166 CA PRO A 14 6.830 -7.047 6.499 1.00 0.00 C ATOM 167 C PRO A 14 6.720 -5.546 6.312 1.00 0.00 C ATOM 168 O PRO A 14 7.043 -5.037 5.234 1.00 0.00 O ATOM 169 CB PRO A 14 8.274 -7.448 6.807 1.00 0.00 C ATOM 170 CG PRO A 14 8.447 -8.771 6.148 1.00 0.00 C ATOM 171 CD PRO A 14 7.581 -8.741 4.919 1.00 0.00 C ATOM 0 HA PRO A 14 6.136 -7.301 7.300 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.980 -6.716 6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.446 -7.515 7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.491 -8.942 5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.150 -9.580 6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.148 -8.445 4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.152 -9.720 4.708 1.00 0.00 H new ATOM 179 N ASP A 15 6.264 -4.864 7.374 1.00 0.00 N ATOM 180 CA ASP A 15 5.895 -3.444 7.326 1.00 0.00 C ATOM 181 C ASP A 15 6.801 -2.646 6.403 1.00 0.00 C ATOM 182 O ASP A 15 7.958 -2.371 6.731 1.00 0.00 O ATOM 183 CB ASP A 15 5.930 -2.831 8.727 1.00 0.00 C ATOM 184 CG ASP A 15 4.857 -3.389 9.639 1.00 0.00 C ATOM 185 OD1 ASP A 15 3.719 -2.873 9.617 1.00 0.00 O ATOM 186 OD2 ASP A 15 5.153 -4.342 10.393 1.00 0.00 O ATOM 0 H ASP A 15 6.141 -5.286 8.294 1.00 0.00 H new ATOM 0 HA ASP A 15 4.881 -3.396 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.908 -3.010 9.173 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.808 -1.751 8.649 1.00 0.00 H new ATOM 191 N PRO A 16 6.269 -2.277 5.230 1.00 0.00 N ATOM 192 CA PRO A 16 6.998 -1.518 4.206 1.00 0.00 C ATOM 193 C PRO A 16 7.364 -0.117 4.670 1.00 0.00 C ATOM 194 O PRO A 16 6.636 0.512 5.438 1.00 0.00 O ATOM 195 CB PRO A 16 6.011 -1.466 3.023 1.00 0.00 C ATOM 196 CG PRO A 16 5.062 -2.575 3.295 1.00 0.00 C ATOM 197 CD PRO A 16 4.911 -2.603 4.783 1.00 0.00 C ATOM 0 HA PRO A 16 7.951 -1.984 3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.498 -0.505 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.523 -1.604 2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.104 -2.403 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.446 -3.524 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.180 -1.875 5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.586 -3.579 5.142 1.00 0.00 H new ATOM 205 N THR A 17 8.495 0.361 4.195 1.00 0.00 N ATOM 206 CA THR A 17 9.010 1.658 4.591 1.00 0.00 C ATOM 207 C THR A 17 8.750 2.688 3.515 1.00 0.00 C ATOM 208 O THR A 17 8.986 2.457 2.329 1.00 0.00 O ATOM 209 CB THR A 17 10.519 1.580 4.895 1.00 0.00 C ATOM 210 OG1 THR A 17 10.765 0.513 5.821 1.00 0.00 O ATOM 211 CG2 THR A 17 11.033 2.889 5.482 1.00 0.00 C ATOM 0 H THR A 17 9.083 -0.136 3.525 1.00 0.00 H new ATOM 0 HA THR A 17 8.489 1.962 5.499 1.00 0.00 H new ATOM 0 HB THR A 17 11.047 1.394 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.725 0.462 6.013 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.100 2.802 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.864 3.698 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.503 3.105 6.410 1.00 0.00 H new ATOM 219 N VAL A 18 8.215 3.803 3.951 1.00 0.00 N ATOM 220 CA VAL A 18 7.950 4.931 3.075 1.00 0.00 C ATOM 221 C VAL A 18 9.227 5.744 2.859 1.00 0.00 C ATOM 222 O VAL A 18 9.836 6.232 3.810 1.00 0.00 O ATOM 223 CB VAL A 18 6.831 5.830 3.641 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.629 7.062 2.769 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.530 5.048 3.775 1.00 0.00 C ATOM 0 H VAL A 18 7.949 3.959 4.923 1.00 0.00 H new ATOM 0 HA VAL A 18 7.612 4.540 2.116 1.00 0.00 H new ATOM 0 HB VAL A 18 7.135 6.164 4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.835 7.679 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.554 7.637 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.353 6.753 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.753 5.700 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.225 4.679 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.680 4.205 4.449 1.00 0.00 H new ATOM 235 N ASP A 19 9.622 5.872 1.600 1.00 0.00 N ATOM 236 CA ASP A 19 10.881 6.514 1.232 1.00 0.00 C ATOM 237 C ASP A 19 10.708 8.020 1.056 1.00 0.00 C ATOM 238 O ASP A 19 11.584 8.803 1.418 1.00 0.00 O ATOM 239 CB ASP A 19 11.413 5.899 -0.065 1.00 0.00 C ATOM 240 CG ASP A 19 12.759 6.464 -0.473 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.790 5.974 0.035 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.797 7.384 -1.315 1.00 0.00 O ATOM 0 H ASP A 19 9.081 5.535 0.804 1.00 0.00 H new ATOM 0 HA ASP A 19 11.594 6.349 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.499 4.819 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.694 6.072 -0.866 1.00 0.00 H new ATOM 247 N GLN A 20 9.569 8.420 0.507 1.00 0.00 N ATOM 248 CA GLN A 20 9.296 9.828 0.239 1.00 0.00 C ATOM 249 C GLN A 20 7.886 10.182 0.667 1.00 0.00 C ATOM 250 O GLN A 20 6.943 9.433 0.407 1.00 0.00 O ATOM 251 CB GLN A 20 9.469 10.147 -1.248 1.00 0.00 C ATOM 252 CG GLN A 20 10.898 10.029 -1.748 1.00 0.00 C ATOM 253 CD GLN A 20 11.019 10.318 -3.231 1.00 0.00 C ATOM 254 OE1 GLN A 20 10.093 10.072 -4.004 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.161 10.843 -3.641 1.00 0.00 N ATOM 0 H GLN A 20 8.816 7.787 0.237 1.00 0.00 H new ATOM 0 HA GLN A 20 10.010 10.420 0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.836 9.475 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.113 11.160 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.532 10.721 -1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.269 9.024 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.905 11.033 -2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.298 11.058 -4.629 1.00 0.00 H new ATOM 264 N VAL A 21 7.754 11.318 1.333 1.00 0.00 N ATOM 265 CA VAL A 21 6.460 11.790 1.800 1.00 0.00 C ATOM 266 C VAL A 21 6.265 13.261 1.454 1.00 0.00 C ATOM 267 O VAL A 21 6.980 14.127 1.960 1.00 0.00 O ATOM 268 CB VAL A 21 6.296 11.621 3.326 1.00 0.00 C ATOM 269 CG1 VAL A 21 4.936 12.119 3.775 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.492 10.177 3.744 1.00 0.00 C ATOM 0 H VAL A 21 8.533 11.934 1.564 1.00 0.00 H new ATOM 0 HA VAL A 21 5.709 11.181 1.296 1.00 0.00 H new ATOM 0 HB VAL A 21 7.066 12.220 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.840 11.991 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.834 13.175 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.155 11.549 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.370 10.091 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.753 9.550 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.494 9.850 3.465 1.00 0.00 H new ATOM 280 N ASP A 22 5.299 13.540 0.590 1.00 0.00 N ATOM 281 CA ASP A 22 4.977 14.909 0.210 1.00 0.00 C ATOM 282 C ASP A 22 3.466 15.109 0.221 1.00 0.00 C ATOM 283 O ASP A 22 2.730 14.232 0.667 1.00 0.00 O ATOM 284 CB ASP A 22 5.550 15.239 -1.173 1.00 0.00 C ATOM 285 CG ASP A 22 7.066 15.212 -1.197 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.692 16.208 -0.774 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.641 14.194 -1.635 1.00 0.00 O ATOM 0 H ASP A 22 4.721 12.832 0.136 1.00 0.00 H new ATOM 0 HA ASP A 22 5.430 15.586 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.166 14.525 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.203 16.225 -1.480 1.00 0.00 H new ATOM 292 N ASP A 23 3.013 16.264 -0.259 1.00 0.00 N ATOM 293 CA ASP A 23 1.590 16.603 -0.271 1.00 0.00 C ATOM 294 C ASP A 23 0.746 15.582 -1.025 1.00 0.00 C ATOM 295 O ASP A 23 -0.061 14.870 -0.433 1.00 0.00 O ATOM 296 CB ASP A 23 1.377 17.998 -0.880 1.00 0.00 C ATOM 297 CG ASP A 23 2.250 18.273 -2.091 1.00 0.00 C ATOM 298 OD1 ASP A 23 1.888 17.853 -3.210 1.00 0.00 O ATOM 299 OD2 ASP A 23 3.308 18.912 -1.922 1.00 0.00 O ATOM 0 H ASP A 23 3.616 16.988 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 23 1.260 16.596 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.330 18.105 -1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.578 18.752 -0.119 1.00 0.00 H new ATOM 304 N THR A 24 0.939 15.523 -2.323 1.00 0.00 N ATOM 305 CA THR A 24 0.102 14.723 -3.194 1.00 0.00 C ATOM 306 C THR A 24 0.864 13.523 -3.755 1.00 0.00 C ATOM 307 O THR A 24 0.607 13.077 -4.870 1.00 0.00 O ATOM 308 CB THR A 24 -0.416 15.608 -4.341 1.00 0.00 C ATOM 309 OG1 THR A 24 0.688 16.267 -4.977 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.382 16.656 -3.807 1.00 0.00 C ATOM 0 H THR A 24 1.681 16.028 -2.807 1.00 0.00 H new ATOM 0 HA THR A 24 -0.736 14.335 -2.615 1.00 0.00 H new ATOM 0 HB THR A 24 -0.936 14.976 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.973 17.029 -4.430 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.740 17.274 -4.630 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.228 16.161 -3.330 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.871 17.284 -3.077 1.00 0.00 H new ATOM 318 N SER A 25 1.778 12.983 -2.953 1.00 0.00 N ATOM 319 CA SER A 25 2.662 11.895 -3.378 1.00 0.00 C ATOM 320 C SER A 25 3.387 11.291 -2.174 1.00 0.00 C ATOM 321 O SER A 25 3.974 12.012 -1.367 1.00 0.00 O ATOM 322 CB SER A 25 3.708 12.383 -4.399 1.00 0.00 C ATOM 323 OG SER A 25 3.106 12.897 -5.577 1.00 0.00 O ATOM 0 H SER A 25 1.929 13.285 -1.991 1.00 0.00 H new ATOM 0 HA SER A 25 2.036 11.138 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.327 13.155 -3.942 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.370 11.558 -4.661 1.00 0.00 H new ATOM 0 HG SER A 25 2.155 12.659 -5.589 1.00 0.00 H new ATOM 329 N ILE A 26 3.344 9.972 -2.063 1.00 0.00 N ATOM 330 CA ILE A 26 4.068 9.244 -1.011 1.00 0.00 C ATOM 331 C ILE A 26 4.561 7.925 -1.582 1.00 0.00 C ATOM 332 O ILE A 26 3.862 7.304 -2.358 1.00 0.00 O ATOM 333 CB ILE A 26 3.182 8.976 0.243 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.000 10.247 1.073 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.774 7.879 1.115 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.147 10.049 2.309 1.00 0.00 C ATOM 0 H ILE A 26 2.811 9.371 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 26 4.904 9.863 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 26 2.208 8.648 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.980 10.617 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.546 11.017 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.132 7.716 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.847 6.956 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.767 8.177 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.062 10.993 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.154 9.708 2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.610 9.303 2.955 1.00 0.00 H new ATOM 348 N VAL A 27 5.752 7.491 -1.219 1.00 0.00 N ATOM 349 CA VAL A 27 6.306 6.293 -1.818 1.00 0.00 C ATOM 350 C VAL A 27 6.548 5.242 -0.764 1.00 0.00 C ATOM 351 O VAL A 27 7.139 5.533 0.263 1.00 0.00 O ATOM 352 CB VAL A 27 7.635 6.573 -2.522 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.122 5.312 -3.208 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.492 7.712 -3.514 1.00 0.00 C ATOM 0 H VAL A 27 6.347 7.941 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 27 5.579 5.942 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 27 8.373 6.877 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.069 5.513 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.264 4.526 -2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.384 4.989 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.450 7.892 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.746 7.449 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.177 8.614 -2.989 1.00 0.00 H new ATOM 364 N VAL A 28 6.120 4.018 -1.013 1.00 0.00 N ATOM 365 CA VAL A 28 6.294 2.976 -0.022 1.00 0.00 C ATOM 366 C VAL A 28 6.968 1.758 -0.638 1.00 0.00 C ATOM 367 O VAL A 28 6.761 1.457 -1.811 1.00 0.00 O ATOM 368 CB VAL A 28 4.959 2.581 0.648 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.939 3.693 0.565 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.406 1.293 0.090 1.00 0.00 C ATOM 0 H VAL A 28 5.659 3.726 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 28 6.940 3.377 0.759 1.00 0.00 H new ATOM 0 HB VAL A 28 5.177 2.412 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.015 3.376 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.325 4.579 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.741 3.927 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.467 1.053 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.229 1.406 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.121 0.488 0.256 1.00 0.00 H new ATOM 380 N ARG A 29 7.773 1.072 0.163 1.00 0.00 N ATOM 381 CA ARG A 29 8.552 -0.072 -0.303 1.00 0.00 C ATOM 382 C ARG A 29 8.372 -1.254 0.633 1.00 0.00 C ATOM 383 O ARG A 29 8.708 -1.180 1.813 1.00 0.00 O ATOM 384 CB ARG A 29 10.041 0.286 -0.386 1.00 0.00 C ATOM 385 CG ARG A 29 10.342 1.539 -1.192 1.00 0.00 C ATOM 386 CD ARG A 29 11.838 1.733 -1.368 1.00 0.00 C ATOM 387 NE ARG A 29 12.149 2.871 -2.232 1.00 0.00 N ATOM 388 CZ ARG A 29 13.386 3.295 -2.485 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.430 2.666 -1.954 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.578 4.342 -3.278 1.00 0.00 N ATOM 0 H ARG A 29 7.905 1.290 1.151 1.00 0.00 H new ATOM 0 HA ARG A 29 8.193 -0.341 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.427 0.417 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.580 -0.553 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.864 1.469 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.916 2.408 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.301 1.882 -0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.273 0.828 -1.792 1.00 0.00 H new ATOM 0 HE ARG A 29 11.373 3.370 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.285 1.856 -1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.376 2.993 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.779 4.821 -3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.525 4.668 -3.472 1.00 0.00 H new ATOM 404 N TRP A 30 7.888 -2.349 0.081 1.00 0.00 N ATOM 405 CA TRP A 30 7.555 -3.539 0.859 1.00 0.00 C ATOM 406 C TRP A 30 8.486 -4.700 0.518 1.00 0.00 C ATOM 407 O TRP A 30 9.027 -4.769 -0.585 1.00 0.00 O ATOM 408 CB TRP A 30 6.090 -3.939 0.616 1.00 0.00 C ATOM 409 CG TRP A 30 5.739 -4.132 -0.818 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.936 -5.248 -1.551 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.094 -3.196 -1.679 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.501 -5.058 -2.833 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.963 -3.811 -2.934 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.623 -1.899 -1.515 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.379 -3.172 -4.017 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.038 -1.271 -2.589 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.918 -1.905 -3.821 1.00 0.00 C ATOM 0 H TRP A 30 7.712 -2.445 -0.919 1.00 0.00 H new ATOM 0 HA TRP A 30 7.687 -3.302 1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.883 -4.863 1.156 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.441 -3.171 1.037 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.375 -6.161 -1.178 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.568 -5.739 -3.590 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.715 -1.395 -0.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.293 -3.659 -4.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.664 -0.264 -2.474 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.449 -1.381 -4.641 1.00 0.00 H new ATOM 428 N SER A 31 8.675 -5.601 1.472 1.00 0.00 N ATOM 429 CA SER A 31 9.516 -6.771 1.261 1.00 0.00 C ATOM 430 C SER A 31 8.645 -7.992 0.967 1.00 0.00 C ATOM 431 O SER A 31 8.063 -8.585 1.871 1.00 0.00 O ATOM 432 CB SER A 31 10.401 -7.016 2.486 1.00 0.00 C ATOM 433 OG SER A 31 11.364 -8.029 2.234 1.00 0.00 O ATOM 0 H SER A 31 8.257 -5.544 2.401 1.00 0.00 H new ATOM 0 HA SER A 31 10.165 -6.594 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.907 -6.091 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.780 -7.305 3.334 1.00 0.00 H new ATOM 0 HG SER A 31 11.915 -8.162 3.033 1.00 0.00 H new ATOM 439 N ARG A 32 8.567 -8.338 -0.313 1.00 0.00 N ATOM 440 CA ARG A 32 7.697 -9.398 -0.822 1.00 0.00 C ATOM 441 C ARG A 32 7.847 -10.726 -0.059 1.00 0.00 C ATOM 442 O ARG A 32 8.876 -10.994 0.561 1.00 0.00 O ATOM 443 CB ARG A 32 7.992 -9.624 -2.308 1.00 0.00 C ATOM 444 CG ARG A 32 8.117 -8.340 -3.116 1.00 0.00 C ATOM 445 CD ARG A 32 9.511 -7.736 -3.027 1.00 0.00 C ATOM 446 NE ARG A 32 10.035 -7.364 -4.338 1.00 0.00 N ATOM 447 CZ ARG A 32 11.333 -7.235 -4.612 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.243 -7.454 -3.670 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.719 -6.894 -5.835 1.00 0.00 N ATOM 0 H ARG A 32 9.116 -7.882 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 32 6.669 -9.066 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.918 -10.192 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.198 -10.235 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.878 -8.545 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.386 -7.615 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.483 -6.855 -2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.186 -8.452 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 32 9.367 -7.192 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.950 -7.723 -2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.235 -7.354 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.023 -6.731 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.712 -6.795 -6.047 1.00 0.00 H new ATOM 463 N PRO A 33 6.807 -11.582 -0.130 1.00 0.00 N ATOM 464 CA PRO A 33 6.714 -12.837 0.613 1.00 0.00 C ATOM 465 C PRO A 33 7.401 -14.003 -0.076 1.00 0.00 C ATOM 466 O PRO A 33 7.750 -13.940 -1.257 1.00 0.00 O ATOM 467 CB PRO A 33 5.197 -13.114 0.655 1.00 0.00 C ATOM 468 CG PRO A 33 4.548 -11.990 -0.088 1.00 0.00 C ATOM 469 CD PRO A 33 5.617 -11.403 -0.950 1.00 0.00 C ATOM 0 HA PRO A 33 7.200 -12.745 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.963 -14.073 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.838 -13.160 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.713 -12.349 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.148 -11.246 0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.699 -11.921 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.430 -10.352 -1.172 1.00 0.00 H new ATOM 477 N GLN A 34 7.576 -15.074 0.684 1.00 0.00 N ATOM 478 CA GLN A 34 8.040 -16.337 0.142 1.00 0.00 C ATOM 479 C GLN A 34 6.901 -17.012 -0.613 1.00 0.00 C ATOM 480 O GLN A 34 7.127 -17.840 -1.497 1.00 0.00 O ATOM 481 CB GLN A 34 8.546 -17.236 1.267 1.00 0.00 C ATOM 482 CG GLN A 34 9.010 -18.606 0.806 1.00 0.00 C ATOM 483 CD GLN A 34 9.450 -19.486 1.956 1.00 0.00 C ATOM 484 OE1 GLN A 34 9.934 -18.999 2.978 1.00 0.00 O ATOM 485 NE2 GLN A 34 9.279 -20.787 1.800 1.00 0.00 N ATOM 0 H GLN A 34 7.401 -15.090 1.689 1.00 0.00 H new ATOM 0 HA GLN A 34 8.865 -16.156 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.372 -16.736 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.751 -17.362 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.201 -19.097 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.837 -18.489 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.874 -21.148 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.552 -21.430 2.543 1.00 0.00 H new ATOM 494 N ALA A 35 5.673 -16.644 -0.247 1.00 0.00 N ATOM 495 CA ALA A 35 4.484 -17.130 -0.927 1.00 0.00 C ATOM 496 C ALA A 35 4.534 -16.822 -2.413 1.00 0.00 C ATOM 497 O ALA A 35 4.918 -15.716 -2.808 1.00 0.00 O ATOM 498 CB ALA A 35 3.244 -16.483 -0.334 1.00 0.00 C ATOM 0 H ALA A 35 5.481 -16.005 0.524 1.00 0.00 H new ATOM 0 HA ALA A 35 4.445 -18.211 -0.792 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.358 -16.853 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.176 -16.730 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.307 -15.401 -0.452 1.00 0.00 H new ATOM 504 N PRO A 36 4.170 -17.789 -3.264 1.00 0.00 N ATOM 505 CA PRO A 36 3.961 -17.511 -4.672 1.00 0.00 C ATOM 506 C PRO A 36 2.727 -16.638 -4.835 1.00 0.00 C ATOM 507 O PRO A 36 1.607 -17.072 -4.565 1.00 0.00 O ATOM 508 CB PRO A 36 3.732 -18.893 -5.302 1.00 0.00 C ATOM 509 CG PRO A 36 4.133 -19.885 -4.259 1.00 0.00 C ATOM 510 CD PRO A 36 3.954 -19.201 -2.934 1.00 0.00 C ATOM 0 HA PRO A 36 4.795 -16.983 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.688 -19.025 -5.587 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.327 -19.014 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.517 -20.783 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.168 -20.198 -4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.960 -19.372 -2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.671 -19.558 -2.195 1.00 0.00 H new ATOM 518 N ILE A 37 2.940 -15.420 -5.289 1.00 0.00 N ATOM 519 CA ILE A 37 1.873 -14.446 -5.408 1.00 0.00 C ATOM 520 C ILE A 37 1.716 -14.061 -6.877 1.00 0.00 C ATOM 521 O ILE A 37 2.666 -14.165 -7.651 1.00 0.00 O ATOM 522 CB ILE A 37 2.175 -13.185 -4.552 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.478 -12.540 -5.038 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.237 -13.514 -3.047 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.316 -11.921 -3.948 1.00 0.00 C ATOM 0 H ILE A 37 3.854 -15.078 -5.585 1.00 0.00 H new ATOM 0 HA ILE A 37 0.946 -14.885 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 37 1.358 -12.475 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.073 -13.296 -5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.236 -11.772 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.450 -12.605 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.280 -13.924 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.025 -14.246 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.217 -11.489 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.744 -11.139 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.594 -12.686 -3.223 1.00 0.00 H new ATOM 537 N THR A 38 0.518 -13.664 -7.269 1.00 0.00 N ATOM 538 CA THR A 38 0.249 -13.307 -8.653 1.00 0.00 C ATOM 539 C THR A 38 0.360 -11.807 -8.912 1.00 0.00 C ATOM 540 O THR A 38 0.685 -11.396 -10.024 1.00 0.00 O ATOM 541 CB THR A 38 -1.134 -13.797 -9.100 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.113 -13.498 -8.099 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.111 -15.281 -9.369 1.00 0.00 C ATOM 0 H THR A 38 -0.286 -13.580 -6.648 1.00 0.00 H new ATOM 0 HA THR A 38 1.020 -13.807 -9.240 1.00 0.00 H new ATOM 0 HB THR A 38 -1.399 -13.280 -10.022 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.992 -13.814 -8.396 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.101 -15.609 -9.685 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.389 -15.497 -10.157 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.826 -15.811 -8.460 1.00 0.00 H new ATOM 551 N GLY A 39 0.089 -10.987 -7.906 1.00 0.00 N ATOM 552 CA GLY A 39 0.219 -9.560 -8.089 1.00 0.00 C ATOM 553 C GLY A 39 0.141 -8.813 -6.784 1.00 0.00 C ATOM 554 O GLY A 39 0.240 -9.421 -5.728 1.00 0.00 O ATOM 0 H GLY A 39 -0.215 -11.282 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.170 -9.342 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.568 -9.207 -8.756 1.00 0.00 H new ATOM 558 N TYR A 40 -0.029 -7.501 -6.850 1.00 0.00 N ATOM 559 CA TYR A 40 -0.191 -6.682 -5.656 1.00 0.00 C ATOM 560 C TYR A 40 -1.272 -5.644 -5.839 1.00 0.00 C ATOM 561 O TYR A 40 -1.305 -4.941 -6.841 1.00 0.00 O ATOM 562 CB TYR A 40 1.094 -5.953 -5.289 1.00 0.00 C ATOM 563 CG TYR A 40 2.007 -6.742 -4.389 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.430 -8.012 -4.735 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.464 -6.204 -3.198 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.281 -8.722 -3.927 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.309 -6.916 -2.380 1.00 0.00 C ATOM 568 CZ TYR A 40 3.716 -8.170 -2.751 1.00 0.00 C ATOM 569 OH TYR A 40 4.578 -8.868 -1.952 1.00 0.00 O ATOM 0 H TYR A 40 -0.059 -6.977 -7.724 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.464 -7.372 -4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.631 -5.700 -6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.840 -5.013 -4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.084 -8.453 -5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.152 -5.212 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.606 -9.710 -4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.650 -6.488 -1.449 1.00 0.00 H new ATOM 0 HH TYR A 40 5.415 -9.030 -2.436 1.00 0.00 H new ATOM 579 N ARG A 41 -2.146 -5.559 -4.865 1.00 0.00 N ATOM 580 CA ARG A 41 -3.113 -4.484 -4.803 1.00 0.00 C ATOM 581 C ARG A 41 -2.698 -3.514 -3.728 1.00 0.00 C ATOM 582 O ARG A 41 -2.053 -3.899 -2.772 1.00 0.00 O ATOM 583 CB ARG A 41 -4.471 -5.047 -4.492 1.00 0.00 C ATOM 584 CG ARG A 41 -4.706 -6.362 -5.203 1.00 0.00 C ATOM 585 CD ARG A 41 -5.901 -7.101 -4.645 1.00 0.00 C ATOM 586 NE ARG A 41 -5.701 -7.491 -3.251 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.632 -8.087 -2.505 1.00 0.00 C ATOM 588 NH1 ARG A 41 -7.832 -8.336 -3.012 1.00 0.00 N ATOM 589 NH2 ARG A 41 -6.368 -8.432 -1.250 1.00 0.00 N ATOM 0 H ARG A 41 -2.209 -6.227 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.157 -3.967 -5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.567 -5.192 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.238 -4.331 -4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.858 -6.177 -6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.818 -6.987 -5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.786 -6.469 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.091 -7.990 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.796 -7.296 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.044 -8.072 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.543 -8.792 -2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.449 -8.241 -0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.085 -8.888 -0.685 1.00 0.00 H new ATOM 603 N ILE A 42 -3.002 -2.257 -3.906 1.00 0.00 N ATOM 604 CA ILE A 42 -2.560 -1.246 -2.954 1.00 0.00 C ATOM 605 C ILE A 42 -3.625 -0.209 -2.680 1.00 0.00 C ATOM 606 O ILE A 42 -3.870 0.644 -3.513 1.00 0.00 O ATOM 607 CB ILE A 42 -1.295 -0.537 -3.476 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.267 -1.568 -3.923 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.710 0.370 -2.402 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.870 -0.994 -4.722 1.00 0.00 C ATOM 0 H ILE A 42 -3.548 -1.900 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.345 -1.767 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.567 0.080 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.137 -2.068 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.768 -2.330 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.183 0.862 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.447 1.123 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.447 -0.225 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.558 -1.792 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.479 -0.520 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.399 -0.253 -4.122 1.00 0.00 H new ATOM 622 N VAL A 43 -4.204 -0.235 -1.491 1.00 0.00 N ATOM 623 CA VAL A 43 -5.225 0.744 -1.143 1.00 0.00 C ATOM 624 C VAL A 43 -4.689 1.723 -0.119 1.00 0.00 C ATOM 625 O VAL A 43 -4.446 1.372 1.029 1.00 0.00 O ATOM 626 CB VAL A 43 -6.523 0.100 -0.605 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.477 1.161 -0.092 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.200 -0.729 -1.680 1.00 0.00 C ATOM 0 H VAL A 43 -3.990 -0.912 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.478 1.264 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.252 -0.556 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.384 0.685 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.001 1.719 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.733 1.843 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.111 -1.172 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.450 -0.091 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.526 -1.520 -2.008 1.00 0.00 H new ATOM 638 N TYR A 44 -4.499 2.948 -0.549 1.00 0.00 N ATOM 639 CA TYR A 44 -4.053 4.001 0.327 1.00 0.00 C ATOM 640 C TYR A 44 -5.161 5.000 0.511 1.00 0.00 C ATOM 641 O TYR A 44 -5.717 5.527 -0.459 1.00 0.00 O ATOM 642 CB TYR A 44 -2.773 4.663 -0.199 1.00 0.00 C ATOM 643 CG TYR A 44 -2.705 4.790 -1.707 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.453 3.675 -2.497 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.878 6.015 -2.339 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.379 3.770 -3.866 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.801 6.120 -3.713 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.553 4.997 -4.472 1.00 0.00 C ATOM 649 OH TYR A 44 -2.476 5.104 -5.837 1.00 0.00 O ATOM 0 H TYR A 44 -4.649 3.241 -1.514 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.804 3.573 1.298 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.686 5.657 0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.914 4.086 0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.312 2.714 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.075 6.897 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.186 2.891 -4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.935 7.079 -4.192 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.623 6.036 -6.101 1.00 0.00 H new ATOM 659 N SER A 45 -5.487 5.222 1.765 1.00 0.00 N ATOM 660 CA SER A 45 -6.625 6.050 2.125 1.00 0.00 C ATOM 661 C SER A 45 -6.279 7.025 3.245 1.00 0.00 C ATOM 662 O SER A 45 -5.602 6.672 4.210 1.00 0.00 O ATOM 663 CB SER A 45 -7.794 5.166 2.559 1.00 0.00 C ATOM 664 OG SER A 45 -8.067 4.162 1.596 1.00 0.00 O ATOM 0 H SER A 45 -4.978 4.839 2.561 1.00 0.00 H new ATOM 0 HA SER A 45 -6.905 6.630 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.564 4.700 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.682 5.781 2.708 1.00 0.00 H new ATOM 0 HG SER A 45 -8.818 3.611 1.901 1.00 0.00 H new ATOM 670 N PRO A 46 -6.743 8.271 3.116 1.00 0.00 N ATOM 671 CA PRO A 46 -6.593 9.299 4.151 1.00 0.00 C ATOM 672 C PRO A 46 -7.514 9.039 5.336 1.00 0.00 C ATOM 673 O PRO A 46 -8.695 8.736 5.170 1.00 0.00 O ATOM 674 CB PRO A 46 -7.015 10.571 3.424 1.00 0.00 C ATOM 675 CG PRO A 46 -7.977 10.108 2.391 1.00 0.00 C ATOM 676 CD PRO A 46 -7.468 8.777 1.936 1.00 0.00 C ATOM 0 HA PRO A 46 -5.586 9.337 4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.478 11.283 4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.159 11.073 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.983 10.023 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.030 10.812 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.282 8.112 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.812 8.871 1.071 1.00 0.00 H new ATOM 744 N SER A 52 -8.404 8.466 -1.822 1.00 0.00 N ATOM 745 CA SER A 52 -8.058 7.065 -1.623 1.00 0.00 C ATOM 746 C SER A 52 -7.911 6.401 -2.981 1.00 0.00 C ATOM 747 O SER A 52 -8.697 6.669 -3.892 1.00 0.00 O ATOM 748 CB SER A 52 -9.137 6.340 -0.815 1.00 0.00 C ATOM 749 OG SER A 52 -9.517 7.091 0.325 1.00 0.00 O ATOM 0 HA SER A 52 -7.122 7.009 -1.067 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.009 6.164 -1.445 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.766 5.363 -0.503 1.00 0.00 H new ATOM 0 HG SER A 52 -9.590 8.038 0.083 1.00 0.00 H new ATOM 755 N THR A 53 -6.901 5.566 -3.141 1.00 0.00 N ATOM 756 CA THR A 53 -6.650 4.942 -4.433 1.00 0.00 C ATOM 757 C THR A 53 -6.066 3.535 -4.275 1.00 0.00 C ATOM 758 O THR A 53 -5.461 3.219 -3.251 1.00 0.00 O ATOM 759 CB THR A 53 -5.701 5.826 -5.276 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.233 7.154 -5.368 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.510 5.269 -6.678 1.00 0.00 C ATOM 0 H THR A 53 -6.246 5.304 -2.404 1.00 0.00 H new ATOM 0 HA THR A 53 -7.605 4.848 -4.950 1.00 0.00 H new ATOM 0 HB THR A 53 -4.731 5.839 -4.778 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.629 7.712 -5.901 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.837 5.918 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.082 4.268 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.474 5.221 -7.185 1.00 0.00 H new ATOM 769 N GLU A 54 -6.287 2.695 -5.285 1.00 0.00 N ATOM 770 CA GLU A 54 -5.737 1.359 -5.333 1.00 0.00 C ATOM 771 C GLU A 54 -4.838 1.208 -6.555 1.00 0.00 C ATOM 772 O GLU A 54 -5.299 1.339 -7.692 1.00 0.00 O ATOM 773 CB GLU A 54 -6.858 0.319 -5.391 1.00 0.00 C ATOM 774 CG GLU A 54 -6.366 -1.118 -5.489 1.00 0.00 C ATOM 775 CD GLU A 54 -7.507 -2.112 -5.547 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.099 -2.282 -6.632 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.828 -2.721 -4.509 1.00 0.00 O ATOM 0 H GLU A 54 -6.859 2.933 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.150 1.196 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.479 0.419 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.494 0.534 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.746 -1.228 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.734 -1.343 -4.630 1.00 0.00 H new ATOM 784 N LEU A 55 -3.561 0.945 -6.327 1.00 0.00 N ATOM 785 CA LEU A 55 -2.657 0.644 -7.425 1.00 0.00 C ATOM 786 C LEU A 55 -2.473 -0.853 -7.518 1.00 0.00 C ATOM 787 O LEU A 55 -2.856 -1.586 -6.612 1.00 0.00 O ATOM 788 CB LEU A 55 -1.303 1.383 -7.315 1.00 0.00 C ATOM 789 CG LEU A 55 -1.415 2.898 -7.482 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.058 3.536 -7.710 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.365 3.257 -8.617 1.00 0.00 C ATOM 0 H LEU A 55 -3.131 0.934 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.109 1.012 -8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.858 1.165 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.623 0.992 -8.072 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.822 3.294 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.177 4.613 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.588 3.331 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.391 3.123 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.425 4.341 -8.712 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.995 2.831 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.356 2.856 -8.403 1.00 0.00 H new ATOM 803 N ASN A 56 -1.946 -1.309 -8.629 1.00 0.00 N ATOM 804 CA ASN A 56 -1.749 -2.727 -8.840 1.00 0.00 C ATOM 805 C ASN A 56 -0.376 -2.963 -9.437 1.00 0.00 C ATOM 806 O ASN A 56 -0.082 -2.522 -10.549 1.00 0.00 O ATOM 807 CB ASN A 56 -2.854 -3.294 -9.737 1.00 0.00 C ATOM 808 CG ASN A 56 -2.643 -4.755 -10.086 1.00 0.00 C ATOM 809 OD1 ASN A 56 -3.049 -5.655 -9.350 1.00 0.00 O ATOM 810 ND2 ASN A 56 -2.033 -4.997 -11.231 1.00 0.00 N ATOM 0 H ASN A 56 -1.644 -0.719 -9.404 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.805 -3.248 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.815 -3.181 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.904 -2.710 -10.656 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.883 -5.959 -11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.712 -4.222 -11.812 1.00 0.00 H new ATOM 817 N LEU A 57 0.461 -3.651 -8.685 1.00 0.00 N ATOM 818 CA LEU A 57 1.841 -3.852 -9.060 1.00 0.00 C ATOM 819 C LEU A 57 2.059 -5.319 -9.361 1.00 0.00 C ATOM 820 O LEU A 57 1.242 -6.157 -8.992 1.00 0.00 O ATOM 821 CB LEU A 57 2.785 -3.380 -7.934 1.00 0.00 C ATOM 822 CG LEU A 57 2.808 -1.877 -7.658 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.141 -1.479 -7.067 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.530 -1.078 -8.910 1.00 0.00 C ATOM 0 H LEU A 57 0.201 -4.084 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 57 2.066 -3.262 -9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.504 -3.893 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.798 -3.699 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 57 2.017 -1.655 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.148 -0.406 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.300 -2.017 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.938 -1.726 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.554 -0.014 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.288 -1.302 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.546 -1.341 -9.299 1.00 0.00 H new ATOM 836 N PRO A 58 3.123 -5.651 -10.083 1.00 0.00 N ATOM 837 CA PRO A 58 3.479 -7.038 -10.322 1.00 0.00 C ATOM 838 C PRO A 58 3.858 -7.733 -9.019 1.00 0.00 C ATOM 839 O PRO A 58 4.319 -7.101 -8.073 1.00 0.00 O ATOM 840 CB PRO A 58 4.673 -6.965 -11.282 1.00 0.00 C ATOM 841 CG PRO A 58 5.180 -5.564 -11.204 1.00 0.00 C ATOM 842 CD PRO A 58 4.035 -4.705 -10.739 1.00 0.00 C ATOM 0 HA PRO A 58 2.653 -7.616 -10.737 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.448 -7.676 -10.996 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.371 -7.214 -12.299 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.019 -5.496 -10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.542 -5.230 -12.177 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.371 -3.931 -10.049 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.551 -4.199 -11.574 1.00 0.00 H new ATOM 850 N GLU A 59 3.619 -9.037 -8.986 1.00 0.00 N ATOM 851 CA GLU A 59 3.939 -9.905 -7.843 1.00 0.00 C ATOM 852 C GLU A 59 5.338 -9.655 -7.279 1.00 0.00 C ATOM 853 O GLU A 59 5.586 -9.849 -6.094 1.00 0.00 O ATOM 854 CB GLU A 59 3.843 -11.365 -8.286 1.00 0.00 C ATOM 855 CG GLU A 59 4.769 -11.705 -9.443 1.00 0.00 C ATOM 856 CD GLU A 59 4.772 -13.178 -9.784 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.543 -13.935 -9.158 1.00 0.00 O ATOM 858 OE2 GLU A 59 4.016 -13.585 -10.691 1.00 0.00 O ATOM 0 H GLU A 59 3.189 -9.538 -9.764 1.00 0.00 H new ATOM 0 HA GLU A 59 3.222 -9.678 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.078 -12.010 -7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.815 -11.582 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.468 -11.135 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.783 -11.393 -9.193 1.00 0.00 H new ATOM 865 N THR A 60 6.238 -9.229 -8.143 1.00 0.00 N ATOM 866 CA THR A 60 7.638 -9.064 -7.789 1.00 0.00 C ATOM 867 C THR A 60 7.952 -7.613 -7.413 1.00 0.00 C ATOM 868 O THR A 60 9.081 -7.288 -7.044 1.00 0.00 O ATOM 869 CB THR A 60 8.539 -9.523 -8.961 1.00 0.00 C ATOM 870 OG1 THR A 60 9.928 -9.339 -8.652 1.00 0.00 O ATOM 871 CG2 THR A 60 8.188 -8.769 -10.236 1.00 0.00 C ATOM 0 H THR A 60 6.022 -8.987 -9.110 1.00 0.00 H new ATOM 0 HA THR A 60 7.841 -9.685 -6.917 1.00 0.00 H new ATOM 0 HB THR A 60 8.359 -10.587 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.022 -8.636 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.833 -9.106 -11.047 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.147 -8.960 -10.497 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.333 -7.700 -10.078 1.00 0.00 H new ATOM 879 N ALA A 61 6.942 -6.750 -7.466 1.00 0.00 N ATOM 880 CA ALA A 61 7.140 -5.335 -7.181 1.00 0.00 C ATOM 881 C ALA A 61 7.426 -5.133 -5.706 1.00 0.00 C ATOM 882 O ALA A 61 7.100 -5.992 -4.887 1.00 0.00 O ATOM 883 CB ALA A 61 5.923 -4.531 -7.592 1.00 0.00 C ATOM 0 H ALA A 61 5.983 -7.005 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 61 7.996 -4.984 -7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.091 -3.477 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.750 -4.654 -8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.051 -4.883 -7.040 1.00 0.00 H new ATOM 889 N ASN A 62 8.037 -4.013 -5.366 1.00 0.00 N ATOM 890 CA ASN A 62 8.395 -3.758 -3.982 1.00 0.00 C ATOM 891 C ASN A 62 8.242 -2.292 -3.607 1.00 0.00 C ATOM 892 O ASN A 62 8.750 -1.875 -2.575 1.00 0.00 O ATOM 893 CB ASN A 62 9.833 -4.209 -3.704 1.00 0.00 C ATOM 894 CG ASN A 62 10.884 -3.343 -4.385 1.00 0.00 C ATOM 895 OD1 ASN A 62 11.237 -3.569 -5.542 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.406 -2.362 -3.664 1.00 0.00 N ATOM 0 H ASN A 62 8.293 -3.273 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 62 7.704 -4.336 -3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.007 -4.199 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.953 -5.240 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.127 -1.762 -4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.087 -2.206 -2.708 1.00 0.00 H new ATOM 903 N SER A 63 7.543 -1.505 -4.415 1.00 0.00 N ATOM 904 CA SER A 63 7.376 -0.093 -4.095 1.00 0.00 C ATOM 905 C SER A 63 6.321 0.582 -4.975 1.00 0.00 C ATOM 906 O SER A 63 6.329 0.427 -6.196 1.00 0.00 O ATOM 907 CB SER A 63 8.720 0.628 -4.244 1.00 0.00 C ATOM 908 OG SER A 63 9.296 0.395 -5.520 1.00 0.00 O ATOM 0 H SER A 63 7.092 -1.810 -5.277 1.00 0.00 H new ATOM 0 HA SER A 63 7.027 -0.027 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.578 1.699 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.405 0.288 -3.467 1.00 0.00 H new ATOM 0 HG SER A 63 10.151 0.869 -5.584 1.00 0.00 H new ATOM 914 N VAL A 64 5.436 1.352 -4.347 1.00 0.00 N ATOM 915 CA VAL A 64 4.415 2.109 -5.071 1.00 0.00 C ATOM 916 C VAL A 64 4.587 3.609 -4.829 1.00 0.00 C ATOM 917 O VAL A 64 4.907 4.037 -3.707 1.00 0.00 O ATOM 918 CB VAL A 64 2.970 1.707 -4.673 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.767 1.796 -3.186 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.967 2.562 -5.387 1.00 0.00 C ATOM 0 H VAL A 64 5.405 1.469 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 64 4.555 1.872 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 64 2.822 0.669 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.745 1.508 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.464 1.126 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.945 2.819 -2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.960 2.264 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.127 3.608 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.083 2.437 -6.464 1.00 0.00 H new ATOM 930 N THR A 65 4.407 4.390 -5.889 1.00 0.00 N ATOM 931 CA THR A 65 4.330 5.824 -5.791 1.00 0.00 C ATOM 932 C THR A 65 2.863 6.266 -5.817 1.00 0.00 C ATOM 933 O THR A 65 2.209 6.251 -6.861 1.00 0.00 O ATOM 934 CB THR A 65 5.090 6.455 -6.961 1.00 0.00 C ATOM 935 OG1 THR A 65 6.498 6.193 -6.831 1.00 0.00 O ATOM 936 CG2 THR A 65 4.843 7.959 -7.051 1.00 0.00 C ATOM 0 H THR A 65 4.311 4.034 -6.840 1.00 0.00 H new ATOM 0 HA THR A 65 4.780 6.151 -4.853 1.00 0.00 H new ATOM 0 HB THR A 65 4.719 6.003 -7.881 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.977 6.598 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.400 8.369 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.779 8.145 -7.194 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.174 8.438 -6.130 1.00 0.00 H new ATOM 944 N LEU A 66 2.354 6.619 -4.653 1.00 0.00 N ATOM 945 CA LEU A 66 0.983 7.082 -4.502 1.00 0.00 C ATOM 946 C LEU A 66 0.910 8.561 -4.830 1.00 0.00 C ATOM 947 O LEU A 66 1.830 9.314 -4.491 1.00 0.00 O ATOM 948 CB LEU A 66 0.503 6.885 -3.073 1.00 0.00 C ATOM 949 CG LEU A 66 1.288 5.877 -2.253 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.077 6.129 -0.788 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.870 4.471 -2.623 1.00 0.00 C ATOM 0 H LEU A 66 2.880 6.594 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 66 0.352 6.506 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.535 7.847 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.541 6.572 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 66 2.350 5.988 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.644 5.401 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.416 7.135 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.017 6.035 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.438 3.754 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.194 4.344 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.064 4.300 -3.682 1.00 0.00 H new ATOM 963 N SER A 67 -0.188 8.981 -5.438 1.00 0.00 N ATOM 964 CA SER A 67 -0.314 10.344 -5.910 1.00 0.00 C ATOM 965 C SER A 67 -1.713 10.877 -5.620 1.00 0.00 C ATOM 966 O SER A 67 -2.593 10.127 -5.193 1.00 0.00 O ATOM 967 CB SER A 67 -0.012 10.401 -7.411 1.00 0.00 C ATOM 968 OG SER A 67 0.158 11.735 -7.861 1.00 0.00 O ATOM 0 H SER A 67 -1.004 8.394 -5.615 1.00 0.00 H new ATOM 0 HA SER A 67 0.404 10.973 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.890 9.828 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.825 9.931 -7.964 1.00 0.00 H new ATOM 0 HG SER A 67 0.351 11.734 -8.822 1.00 0.00 H new ATOM 974 N ASP A 68 -1.889 12.180 -5.832 1.00 0.00 N ATOM 975 CA ASP A 68 -3.167 12.863 -5.623 1.00 0.00 C ATOM 976 C ASP A 68 -3.583 12.861 -4.160 1.00 0.00 C ATOM 977 O ASP A 68 -4.761 13.021 -3.848 1.00 0.00 O ATOM 978 CB ASP A 68 -4.281 12.254 -6.481 1.00 0.00 C ATOM 979 CG ASP A 68 -4.179 12.657 -7.934 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.268 13.868 -8.223 1.00 0.00 O ATOM 981 OD2 ASP A 68 -4.010 11.771 -8.797 1.00 0.00 O ATOM 0 H ASP A 68 -1.144 12.797 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.015 13.897 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.241 11.167 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.249 12.565 -6.088 1.00 0.00 H new ATOM 986 N LEU A 69 -2.617 12.695 -3.262 1.00 0.00 N ATOM 987 CA LEU A 69 -2.906 12.732 -1.833 1.00 0.00 C ATOM 988 C LEU A 69 -3.296 14.147 -1.419 1.00 0.00 C ATOM 989 O LEU A 69 -3.356 15.052 -2.247 1.00 0.00 O ATOM 990 CB LEU A 69 -1.698 12.301 -0.995 1.00 0.00 C ATOM 991 CG LEU A 69 -0.818 11.199 -1.563 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.367 10.987 -0.653 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.613 9.919 -1.682 1.00 0.00 C ATOM 0 H LEU A 69 -1.637 12.535 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.725 12.036 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.074 13.178 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.061 11.975 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.466 11.488 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.000 10.197 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.941 11.911 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.017 10.699 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.978 9.133 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.973 9.621 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.463 10.079 -2.345 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.557 14.343 -0.140 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.855 15.668 0.368 1.00 0.00 C ATOM 1007 C GLN A 70 -2.894 16.009 1.500 1.00 0.00 C ATOM 1008 O GLN A 70 -2.720 15.218 2.424 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.310 15.742 0.833 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.725 17.117 1.336 1.00 0.00 C ATOM 1011 CD GLN A 70 -7.196 17.190 1.698 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -8.040 17.511 0.860 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.515 16.901 2.949 1.00 0.00 N ATOM 0 H GLN A 70 -3.569 13.604 0.563 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.723 16.401 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.961 15.456 0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.465 15.013 1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.127 17.375 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.507 17.861 0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.787 16.639 3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.489 16.940 3.249 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.232 17.177 1.414 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.243 17.611 2.409 1.00 0.00 C ATOM 1024 C PRO A 71 -1.837 17.792 3.803 1.00 0.00 C ATOM 1025 O PRO A 71 -2.910 18.376 3.960 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.745 18.950 1.868 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.798 19.410 0.919 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.394 18.165 0.334 1.00 0.00 C ATOM 0 HA PRO A 71 -0.458 16.865 2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.601 19.670 2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.215 18.838 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.556 20.002 1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.373 20.043 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.442 18.305 0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.875 17.858 -0.574 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.131 17.288 4.807 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.580 17.422 6.177 1.00 0.00 C ATOM 1038 C GLY A 72 -2.564 16.340 6.565 1.00 0.00 C ATOM 1039 O GLY A 72 -3.431 16.552 7.412 1.00 0.00 O ATOM 0 H GLY A 72 -0.250 16.786 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.719 17.384 6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.045 18.399 6.311 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.434 15.177 5.943 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.349 14.075 6.191 1.00 0.00 C ATOM 1045 C VAL A 73 -2.593 12.785 6.473 1.00 0.00 C ATOM 1046 O VAL A 73 -1.510 12.552 5.938 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.299 13.853 4.993 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.294 12.761 5.273 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.062 15.104 4.640 1.00 0.00 C ATOM 0 H VAL A 73 -1.702 14.973 5.262 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.938 14.344 7.068 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.662 13.568 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.946 12.632 4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.765 11.829 5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.894 13.029 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.718 14.903 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.660 15.419 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.361 15.896 4.376 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.177 11.954 7.320 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.611 10.680 7.675 1.00 0.00 C ATOM 1061 C GLN A 74 -3.038 9.643 6.655 1.00 0.00 C ATOM 1062 O GLN A 74 -4.213 9.274 6.587 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.111 10.297 9.057 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.676 8.914 9.515 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.341 8.928 10.235 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -1.287 9.069 11.455 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.250 8.796 9.492 1.00 0.00 N ATOM 0 H GLN A 74 -4.065 12.154 7.780 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.522 10.735 7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.756 11.034 9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.200 10.344 9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.436 8.499 10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.611 8.253 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.332 8.681 8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.671 8.810 9.931 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.099 9.201 5.849 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.387 8.246 4.803 1.00 0.00 C ATOM 1078 C TYR A 75 -2.025 6.833 5.213 1.00 0.00 C ATOM 1079 O TYR A 75 -0.866 6.527 5.484 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.662 8.631 3.520 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.552 9.400 2.581 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.795 10.754 2.765 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.177 8.757 1.525 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.636 11.445 1.917 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.013 9.440 0.672 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.243 10.782 0.873 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.083 11.458 0.023 1.00 0.00 O ATOM 0 H TYR A 75 -1.122 9.490 5.899 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.462 8.268 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.786 9.232 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.301 7.731 3.023 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.319 11.274 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.005 7.702 1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.817 12.499 2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.486 8.926 -0.151 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.425 10.842 -0.658 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.036 5.987 5.270 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.842 4.576 5.525 1.00 0.00 C ATOM 1099 C ASN A 76 -2.608 3.863 4.207 1.00 0.00 C ATOM 1100 O ASN A 76 -3.529 3.741 3.390 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.067 3.968 6.217 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.386 4.609 7.555 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.502 5.086 8.261 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -5.660 4.618 7.916 1.00 0.00 N ATOM 0 H ASN A 76 -4.011 6.259 5.141 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.980 4.456 6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.932 4.066 5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.899 2.901 6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.935 5.031 8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.367 4.212 7.303 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.380 3.436 3.975 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.067 2.652 2.798 1.00 0.00 C ATOM 1113 C ILE A 77 -1.188 1.187 3.130 1.00 0.00 C ATOM 1114 O ILE A 77 -0.437 0.649 3.948 1.00 0.00 O ATOM 1115 CB ILE A 77 0.347 2.923 2.242 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.513 4.362 1.786 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.673 2.005 1.076 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.917 5.328 2.878 1.00 0.00 C ATOM 0 H ILE A 77 -0.585 3.620 4.587 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.778 2.945 2.026 1.00 0.00 H new ATOM 0 HB ILE A 77 1.035 2.728 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.263 4.394 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.426 4.701 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.676 2.224 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.626 0.967 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.049 2.164 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.012 6.330 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.158 5.331 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.873 5.020 3.301 1.00 0.00 H new ATOM 1130 N THR A 78 -2.156 0.562 2.516 1.00 0.00 N ATOM 1131 CA THR A 78 -2.418 -0.821 2.735 1.00 0.00 C ATOM 1132 C THR A 78 -1.931 -1.641 1.540 1.00 0.00 C ATOM 1133 O THR A 78 -2.465 -1.511 0.430 1.00 0.00 O ATOM 1134 CB THR A 78 -3.922 -1.024 2.949 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.393 -0.119 3.962 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.233 -2.454 3.357 1.00 0.00 C ATOM 0 H THR A 78 -2.785 1.007 1.847 1.00 0.00 H new ATOM 0 HA THR A 78 -1.884 -1.158 3.623 1.00 0.00 H new ATOM 0 HB THR A 78 -4.430 -0.821 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.355 -0.250 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.308 -2.566 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.899 -3.136 2.575 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.716 -2.687 4.288 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.914 -2.475 1.761 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.373 -3.302 0.672 1.00 0.00 C ATOM 1146 C ILE A 79 -1.035 -4.671 0.720 1.00 0.00 C ATOM 1147 O ILE A 79 -1.323 -5.195 1.787 1.00 0.00 O ATOM 1148 CB ILE A 79 1.175 -3.531 0.701 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.000 -2.266 0.882 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.643 -4.176 -0.581 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.616 -1.119 -0.010 1.00 0.00 C ATOM 0 H ILE A 79 -0.454 -2.598 2.663 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.588 -2.744 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 79 1.334 -4.170 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.917 -1.942 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.048 -2.507 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.722 -4.326 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.147 -5.139 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.399 -3.530 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.262 -0.266 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.728 -1.416 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.579 -0.842 0.179 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.287 -5.229 -0.437 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.919 -6.523 -0.548 1.00 0.00 C ATOM 1165 C TYR A 80 -1.129 -7.407 -1.503 1.00 0.00 C ATOM 1166 O TYR A 80 -1.108 -7.137 -2.707 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.327 -6.368 -1.133 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.271 -5.465 -0.370 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.069 -5.975 0.643 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.395 -4.114 -0.691 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.960 -5.169 1.322 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.291 -3.308 -0.021 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.070 -3.838 0.983 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.968 -3.035 1.644 1.00 0.00 O ATOM 0 H TYR A 80 -1.059 -4.798 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.959 -6.967 0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.235 -5.987 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.780 -7.357 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.992 -7.020 0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.782 -3.693 -1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.568 -5.579 2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.381 -2.264 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.085 -3.361 2.561 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.494 -8.456 -1.002 1.00 0.00 N ATOM 1185 CA ALA A 81 0.046 -9.463 -1.895 1.00 0.00 C ATOM 1186 C ALA A 81 -1.088 -10.384 -2.287 1.00 0.00 C ATOM 1187 O ALA A 81 -1.815 -10.886 -1.424 1.00 0.00 O ATOM 1188 CB ALA A 81 1.204 -10.237 -1.255 1.00 0.00 C ATOM 0 H ALA A 81 -0.344 -8.628 -0.008 1.00 0.00 H new ATOM 0 HA ALA A 81 0.465 -8.984 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.578 -10.981 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.006 -9.545 -0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.853 -10.737 -0.352 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.292 -10.545 -3.578 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.373 -11.397 -4.052 1.00 0.00 C ATOM 1196 C VAL A 82 -1.812 -12.611 -4.753 1.00 0.00 C ATOM 1197 O VAL A 82 -0.902 -12.489 -5.566 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.371 -10.659 -4.980 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.691 -10.048 -6.184 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.474 -11.598 -5.439 1.00 0.00 C ATOM 0 H VAL A 82 -0.735 -10.106 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.935 -11.705 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.803 -9.849 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.432 -9.543 -6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.943 -9.328 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.207 -10.833 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.163 -11.059 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.037 -12.433 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.014 -11.976 -4.571 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.350 -13.773 -4.415 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.904 -15.029 -4.967 1.00 0.00 C ATOM 1212 C GLU A 83 -2.974 -15.564 -5.909 1.00 0.00 C ATOM 1213 O GLU A 83 -4.078 -15.015 -5.966 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.611 -16.060 -3.875 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.720 -15.596 -2.739 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.317 -14.499 -1.877 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -2.458 -14.666 -1.413 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -0.646 -13.469 -1.668 1.00 0.00 O ATOM 0 H GLU A 83 -3.113 -13.864 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.974 -14.854 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.560 -16.391 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.148 -16.930 -4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.486 -16.451 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.222 -15.241 -3.156 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.635 -16.622 -6.644 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.487 -17.166 -7.704 1.00 0.00 C ATOM 1227 C GLU A 84 -4.966 -17.233 -7.316 1.00 0.00 C ATOM 1228 O GLU A 84 -5.829 -16.849 -8.104 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.004 -18.558 -8.113 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.572 -18.583 -8.620 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.183 -19.923 -9.201 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.120 -20.913 -8.441 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -0.945 -19.996 -10.425 1.00 0.00 O ATOM 0 H GLU A 84 -1.758 -17.129 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.406 -16.476 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.089 -19.228 -7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.662 -18.948 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.446 -17.812 -9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.896 -18.337 -7.801 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.270 -17.709 -6.117 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.667 -17.850 -5.720 1.00 0.00 C ATOM 1242 C ASN A 85 -6.949 -17.255 -4.343 1.00 0.00 C ATOM 1243 O ASN A 85 -8.085 -17.304 -3.870 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.086 -19.323 -5.739 1.00 0.00 C ATOM 1245 CG ASN A 85 -6.413 -20.149 -4.657 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -5.336 -20.704 -4.863 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -7.050 -20.245 -3.500 1.00 0.00 N ATOM 0 H ASN A 85 -4.588 -17.998 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.255 -17.290 -6.447 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.167 -19.388 -5.618 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.848 -19.749 -6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.648 -20.795 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.942 -19.769 -3.368 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.941 -16.686 -3.701 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.110 -16.167 -2.359 1.00 0.00 C ATOM 1256 C GLN A 86 -5.451 -14.806 -2.221 1.00 0.00 C ATOM 1257 O GLN A 86 -4.858 -14.303 -3.172 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.518 -17.156 -1.366 1.00 0.00 C ATOM 1259 CG GLN A 86 -4.025 -17.369 -1.537 1.00 0.00 C ATOM 1260 CD GLN A 86 -3.479 -18.491 -0.681 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -4.000 -18.787 0.395 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -2.416 -19.121 -1.154 1.00 0.00 N ATOM 0 H GLN A 86 -5.004 -16.574 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.173 -16.040 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.712 -16.802 -0.354 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.028 -18.114 -1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.813 -17.584 -2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.502 -16.445 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.016 -18.844 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -1.997 -19.884 -0.622 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.609 -14.193 -1.058 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.946 -12.937 -0.757 1.00 0.00 C ATOM 1273 C GLU A 87 -4.260 -13.025 0.600 1.00 0.00 C ATOM 1274 O GLU A 87 -4.844 -13.522 1.568 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.948 -11.785 -0.736 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.800 -11.671 -1.988 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.023 -12.560 -1.959 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.800 -12.476 -0.983 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.215 -13.348 -2.909 1.00 0.00 O ATOM 0 H GLU A 87 -6.195 -14.549 -0.303 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.207 -12.749 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.605 -11.906 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.405 -10.850 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.115 -10.635 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.194 -11.926 -2.857 1.00 0.00 H new ATOM 1286 N SER A 88 -3.026 -12.547 0.669 1.00 0.00 N ATOM 1287 CA SER A 88 -2.278 -12.533 1.918 1.00 0.00 C ATOM 1288 C SER A 88 -2.852 -11.503 2.892 1.00 0.00 C ATOM 1289 O SER A 88 -3.845 -10.829 2.593 1.00 0.00 O ATOM 1290 CB SER A 88 -0.809 -12.220 1.638 1.00 0.00 C ATOM 1291 OG SER A 88 -0.681 -10.965 1.001 1.00 0.00 O ATOM 0 H SER A 88 -2.520 -12.162 -0.129 1.00 0.00 H new ATOM 0 HA SER A 88 -2.360 -13.518 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.247 -12.219 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.379 -12.999 1.008 1.00 0.00 H new ATOM 0 HG SER A 88 -1.070 -11.013 0.103 1.00 0.00 H new ATOM 1297 N THR A 89 -2.223 -11.382 4.054 1.00 0.00 N ATOM 1298 CA THR A 89 -2.617 -10.386 5.037 1.00 0.00 C ATOM 1299 C THR A 89 -2.360 -8.969 4.508 1.00 0.00 C ATOM 1300 O THR A 89 -1.659 -8.787 3.514 1.00 0.00 O ATOM 1301 CB THR A 89 -1.855 -10.612 6.359 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.516 -11.053 6.093 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.568 -11.637 7.224 1.00 0.00 C ATOM 0 H THR A 89 -1.435 -11.964 4.338 1.00 0.00 H new ATOM 0 HA THR A 89 -3.686 -10.491 5.225 1.00 0.00 H new ATOM 0 HB THR A 89 -1.821 -9.664 6.896 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.043 -11.191 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.013 -11.780 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.573 -11.283 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.631 -12.584 6.689 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.975 -7.950 5.116 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.780 -6.571 4.701 1.00 0.00 C ATOM 1313 C PRO A 90 -1.599 -5.878 5.394 1.00 0.00 C ATOM 1314 O PRO A 90 -1.390 -6.017 6.601 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.099 -5.918 5.110 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.556 -6.685 6.311 1.00 0.00 C ATOM 1317 CD PRO A 90 -3.933 -8.054 6.232 1.00 0.00 C ATOM 0 HA PRO A 90 -2.539 -6.497 3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.961 -4.863 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.832 -5.972 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.255 -6.178 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.643 -6.758 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.432 -8.318 7.163 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.682 -8.823 6.044 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.840 -5.134 4.608 1.00 0.00 N ATOM 1326 CA VAL A 91 0.142 -4.185 5.113 1.00 0.00 C ATOM 1327 C VAL A 91 -0.574 -2.906 5.460 1.00 0.00 C ATOM 1328 O VAL A 91 -1.254 -2.363 4.604 1.00 0.00 O ATOM 1329 CB VAL A 91 1.163 -3.798 4.037 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.823 -2.477 4.402 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.207 -4.872 3.824 1.00 0.00 C ATOM 0 H VAL A 91 -0.887 -5.171 3.590 1.00 0.00 H new ATOM 0 HA VAL A 91 0.643 -4.651 5.961 1.00 0.00 H new ATOM 0 HB VAL A 91 0.625 -3.688 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.547 -2.208 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.064 -1.698 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.332 -2.577 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.907 -4.551 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.747 -5.044 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.720 -5.796 3.511 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.422 -2.413 6.673 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.966 -1.110 6.998 1.00 0.00 C ATOM 1343 C VAL A 92 0.138 -0.209 7.529 1.00 0.00 C ATOM 1344 O VAL A 92 0.618 -0.386 8.649 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.113 -1.184 8.026 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.834 0.153 8.089 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.088 -2.304 7.685 1.00 0.00 C ATOM 0 H VAL A 92 0.064 -2.884 7.436 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.381 -0.698 6.078 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.686 -1.406 9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.644 0.096 8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.132 0.931 8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.244 0.392 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.885 -2.331 8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.517 -2.126 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.561 -3.258 7.684 1.00 0.00 H new ATOM 1357 N ILE A 93 0.550 0.744 6.710 1.00 0.00 N ATOM 1358 CA ILE A 93 1.577 1.698 7.097 1.00 0.00 C ATOM 1359 C ILE A 93 1.051 3.123 6.972 1.00 0.00 C ATOM 1360 O ILE A 93 0.779 3.605 5.875 1.00 0.00 O ATOM 1361 CB ILE A 93 2.870 1.527 6.263 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.554 1.394 4.779 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.649 0.315 6.748 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.757 1.627 3.905 1.00 0.00 C ATOM 0 H ILE A 93 0.186 0.878 5.767 1.00 0.00 H new ATOM 0 HA ILE A 93 1.831 1.500 8.138 1.00 0.00 H new ATOM 0 HB ILE A 93 3.481 2.419 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.156 0.398 4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.773 2.107 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.556 0.204 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.915 0.449 7.796 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.034 -0.579 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.473 1.519 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.141 2.633 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.530 0.898 4.148 1.00 0.00 H new ATOM 1376 N GLN A 94 0.884 3.785 8.106 1.00 0.00 N ATOM 1377 CA GLN A 94 0.307 5.119 8.123 1.00 0.00 C ATOM 1378 C GLN A 94 1.383 6.194 8.190 1.00 0.00 C ATOM 1379 O GLN A 94 2.180 6.250 9.126 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.680 5.267 9.282 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.131 4.853 10.636 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.145 5.013 11.749 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -0.787 5.264 12.899 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -2.419 4.867 11.417 1.00 0.00 N ATOM 0 H GLN A 94 1.139 3.421 9.024 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.236 5.255 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.002 6.307 9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.566 4.670 9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.192 3.813 10.590 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.751 5.451 10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.674 4.659 10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.145 4.962 12.127 1.00 0.00 H new ATOM 1393 N GLN A 95 1.395 7.039 7.176 1.00 0.00 N ATOM 1394 CA GLN A 95 2.329 8.145 7.091 1.00 0.00 C ATOM 1395 C GLN A 95 1.571 9.438 6.808 1.00 0.00 C ATOM 1396 O GLN A 95 0.741 9.479 5.907 1.00 0.00 O ATOM 1397 CB GLN A 95 3.338 7.876 5.973 1.00 0.00 C ATOM 1398 CG GLN A 95 4.782 7.789 6.442 1.00 0.00 C ATOM 1399 CD GLN A 95 5.267 9.044 7.147 1.00 0.00 C ATOM 1400 OE1 GLN A 95 6.146 8.981 8.004 1.00 0.00 O ATOM 1401 NE2 GLN A 95 4.691 10.191 6.809 1.00 0.00 N ATOM 0 H GLN A 95 0.754 6.977 6.385 1.00 0.00 H new ATOM 0 HA GLN A 95 2.860 8.245 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.072 6.943 5.477 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.257 8.668 5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.886 6.940 7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.424 7.594 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.965 10.205 6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.975 11.058 7.265 1.00 0.00 H new ATOM 1410 N GLU A 96 1.854 10.490 7.564 1.00 0.00 N ATOM 1411 CA GLU A 96 1.189 11.768 7.340 1.00 0.00 C ATOM 1412 C GLU A 96 1.911 12.554 6.266 1.00 0.00 C ATOM 1413 O GLU A 96 3.139 12.643 6.268 1.00 0.00 O ATOM 1414 CB GLU A 96 1.129 12.620 8.608 1.00 0.00 C ATOM 1415 CG GLU A 96 0.209 12.086 9.689 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.132 13.150 10.710 1.00 0.00 C ATOM 1417 OE1 GLU A 96 0.639 13.325 11.678 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -1.159 13.839 10.532 1.00 0.00 O ATOM 0 H GLU A 96 2.530 10.486 8.328 1.00 0.00 H new ATOM 0 HA GLU A 96 0.170 11.540 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.135 12.708 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.805 13.625 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.708 11.711 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.685 11.242 10.188 1.00 0.00 H new ATOM 1425 N THR A 97 1.143 13.111 5.351 1.00 0.00 N ATOM 1426 CA THR A 97 1.690 13.900 4.272 1.00 0.00 C ATOM 1427 C THR A 97 2.221 15.230 4.796 1.00 0.00 C ATOM 1428 O THR A 97 1.461 16.071 5.278 1.00 0.00 O ATOM 1429 CB THR A 97 0.626 14.155 3.193 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.554 14.694 3.799 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.274 12.868 2.463 1.00 0.00 C ATOM 0 H THR A 97 0.126 13.028 5.337 1.00 0.00 H new ATOM 0 HA THR A 97 2.514 13.340 3.829 1.00 0.00 H new ATOM 0 HB THR A 97 1.032 14.865 2.472 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.321 14.553 3.205 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.481 13.075 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.167 12.465 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.117 12.141 3.175 1.00 0.00 H new ATOM 1439 N THR A 98 3.528 15.411 4.697 1.00 0.00 N ATOM 1440 CA THR A 98 4.176 16.613 5.195 1.00 0.00 C ATOM 1441 C THR A 98 3.778 17.811 4.344 1.00 0.00 C ATOM 1442 O THR A 98 3.698 18.941 4.824 1.00 0.00 O ATOM 1443 CB THR A 98 5.705 16.446 5.172 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.064 15.200 5.788 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.395 17.591 5.900 1.00 0.00 C ATOM 0 H THR A 98 4.164 14.736 4.273 1.00 0.00 H new ATOM 0 HA THR A 98 3.854 16.780 6.223 1.00 0.00 H new ATOM 0 HB THR A 98 6.033 16.454 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.038 15.095 5.771 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.475 17.445 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.141 18.535 5.417 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.064 17.614 6.938 1.00 0.00 H new