USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=24 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 62 ASN : amide:sc= -0.021 K(o=0.039,f=-3.2!) USER MOD Set 1.2: A 63 SER OG : rot -74:sc= 0.0599 USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 52 SER OG : rot 180:sc= -1.05 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.229 K(o=0.23,f=-0.37) USER MOD Single : A 24 THR OG1 : rot -71:sc= 1.17 USER MOD Single : A 25 SER OG : rot 180:sc= -0.927 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=0.000438 USER MOD Single : A 40 TYR OH : rot 30:sc= -4.34! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.46! USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 60 THR OG1 : rot -35:sc= 0.925 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 22:sc= 0.531 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0471 F(o=-0.7,f=-0.047) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 76 ASN : amide:sc= -0.0758 K(o=-0.076,f=-1.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 85 ASN : amide:sc= -0.074 K(o=-0.074,f=-5.5!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 66:sc= 1.11 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.109 F(o=-1.2,f=-0.11) USER MOD Single : A 97 THR OG1 : rot -160:sc= 2.17 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.193 -11.818 4.073 1.00 0.00 N ATOM 142 CA ALA A 12 2.272 -10.485 3.505 1.00 0.00 C ATOM 143 C ALA A 12 3.660 -9.915 3.749 1.00 0.00 C ATOM 144 O ALA A 12 4.374 -10.392 4.636 1.00 0.00 O ATOM 145 CB ALA A 12 1.224 -9.591 4.140 1.00 0.00 C ATOM 0 HA ALA A 12 2.087 -10.536 2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.289 -8.592 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.232 -10.003 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.397 -9.535 5.215 1.00 0.00 H new ATOM 151 N PRO A 13 4.069 -8.889 2.988 1.00 0.00 N ATOM 152 CA PRO A 13 5.375 -8.260 3.169 1.00 0.00 C ATOM 153 C PRO A 13 5.492 -7.595 4.534 1.00 0.00 C ATOM 154 O PRO A 13 4.590 -6.865 4.953 1.00 0.00 O ATOM 155 CB PRO A 13 5.426 -7.199 2.062 1.00 0.00 C ATOM 156 CG PRO A 13 4.387 -7.613 1.082 1.00 0.00 C ATOM 157 CD PRO A 13 3.309 -8.250 1.899 1.00 0.00 C ATOM 0 HA PRO A 13 6.188 -8.984 3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.220 -6.205 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.412 -7.159 1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.006 -6.756 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.792 -8.312 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.599 -7.515 2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.738 -8.977 1.321 1.00 0.00 H new ATOM 165 N PRO A 14 6.584 -7.880 5.264 1.00 0.00 N ATOM 166 CA PRO A 14 6.917 -7.174 6.504 1.00 0.00 C ATOM 167 C PRO A 14 6.811 -5.668 6.325 1.00 0.00 C ATOM 168 O PRO A 14 7.048 -5.160 5.227 1.00 0.00 O ATOM 169 CB PRO A 14 8.363 -7.591 6.760 1.00 0.00 C ATOM 170 CG PRO A 14 8.473 -8.943 6.151 1.00 0.00 C ATOM 171 CD PRO A 14 7.566 -8.934 4.951 1.00 0.00 C ATOM 0 HA PRO A 14 6.245 -7.417 7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.064 -6.892 6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.586 -7.617 7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.502 -9.157 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.174 -9.715 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.115 -8.711 4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.084 -9.901 4.806 1.00 0.00 H new ATOM 179 N ASP A 15 6.469 -4.977 7.420 1.00 0.00 N ATOM 180 CA ASP A 15 6.108 -3.554 7.392 1.00 0.00 C ATOM 181 C ASP A 15 6.985 -2.752 6.435 1.00 0.00 C ATOM 182 O ASP A 15 8.167 -2.518 6.684 1.00 0.00 O ATOM 183 CB ASP A 15 6.163 -2.947 8.803 1.00 0.00 C ATOM 184 CG ASP A 15 7.546 -2.983 9.429 1.00 0.00 C ATOM 185 OD1 ASP A 15 7.972 -4.069 9.880 1.00 0.00 O ATOM 186 OD2 ASP A 15 8.213 -1.923 9.481 1.00 0.00 O ATOM 0 H ASP A 15 6.435 -5.390 8.352 1.00 0.00 H new ATOM 0 HA ASP A 15 5.084 -3.496 7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.821 -1.913 8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.468 -3.485 9.448 1.00 0.00 H new ATOM 191 N PRO A 16 6.401 -2.353 5.297 1.00 0.00 N ATOM 192 CA PRO A 16 7.087 -1.558 4.274 1.00 0.00 C ATOM 193 C PRO A 16 7.457 -0.177 4.777 1.00 0.00 C ATOM 194 O PRO A 16 6.764 0.406 5.611 1.00 0.00 O ATOM 195 CB PRO A 16 6.055 -1.460 3.137 1.00 0.00 C ATOM 196 CG PRO A 16 5.132 -2.592 3.398 1.00 0.00 C ATOM 197 CD PRO A 16 5.028 -2.663 4.892 1.00 0.00 C ATOM 0 HA PRO A 16 8.029 -2.013 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.531 -0.504 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.528 -1.547 2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.157 -2.421 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.520 -3.523 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.311 -1.943 5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.712 -3.648 5.235 1.00 0.00 H new ATOM 205 N THR A 17 8.553 0.334 4.269 1.00 0.00 N ATOM 206 CA THR A 17 9.048 1.629 4.674 1.00 0.00 C ATOM 207 C THR A 17 8.832 2.648 3.580 1.00 0.00 C ATOM 208 O THR A 17 9.093 2.399 2.403 1.00 0.00 O ATOM 209 CB THR A 17 10.541 1.552 5.040 1.00 0.00 C ATOM 210 OG1 THR A 17 10.754 0.483 5.975 1.00 0.00 O ATOM 211 CG2 THR A 17 11.025 2.859 5.645 1.00 0.00 C ATOM 0 H THR A 17 9.125 -0.134 3.566 1.00 0.00 H new ATOM 0 HA THR A 17 8.490 1.942 5.557 1.00 0.00 H new ATOM 0 HB THR A 17 11.107 1.365 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.705 0.435 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.083 2.775 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.884 3.667 4.927 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.456 3.074 6.549 1.00 0.00 H new ATOM 219 N VAL A 18 8.296 3.770 3.990 1.00 0.00 N ATOM 220 CA VAL A 18 8.084 4.898 3.100 1.00 0.00 C ATOM 221 C VAL A 18 9.389 5.666 2.895 1.00 0.00 C ATOM 222 O VAL A 18 10.020 6.118 3.853 1.00 0.00 O ATOM 223 CB VAL A 18 6.985 5.838 3.639 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.892 7.107 2.800 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.641 5.119 3.678 1.00 0.00 C ATOM 0 H VAL A 18 7.992 3.933 4.950 1.00 0.00 H new ATOM 0 HA VAL A 18 7.750 4.509 2.138 1.00 0.00 H new ATOM 0 HB VAL A 18 7.253 6.126 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.110 7.752 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.846 7.633 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.653 6.845 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.877 5.796 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.371 4.798 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.713 4.248 4.329 1.00 0.00 H new ATOM 235 N ASP A 19 9.783 5.794 1.635 1.00 0.00 N ATOM 236 CA ASP A 19 11.044 6.428 1.266 1.00 0.00 C ATOM 237 C ASP A 19 10.873 7.931 1.080 1.00 0.00 C ATOM 238 O ASP A 19 11.756 8.714 1.424 1.00 0.00 O ATOM 239 CB ASP A 19 11.586 5.804 -0.026 1.00 0.00 C ATOM 240 CG ASP A 19 12.832 6.502 -0.541 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.893 6.391 0.108 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.762 7.143 -1.608 1.00 0.00 O ATOM 0 H ASP A 19 9.238 5.462 0.839 1.00 0.00 H new ATOM 0 HA ASP A 19 11.754 6.263 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.812 4.752 0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.812 5.839 -0.793 1.00 0.00 H new ATOM 247 N GLN A 20 9.724 8.331 0.551 1.00 0.00 N ATOM 248 CA GLN A 20 9.471 9.736 0.249 1.00 0.00 C ATOM 249 C GLN A 20 8.079 10.137 0.694 1.00 0.00 C ATOM 250 O GLN A 20 7.108 9.418 0.453 1.00 0.00 O ATOM 251 CB GLN A 20 9.623 9.999 -1.250 1.00 0.00 C ATOM 252 CG GLN A 20 11.022 9.740 -1.778 1.00 0.00 C ATOM 253 CD GLN A 20 11.100 9.827 -3.285 1.00 0.00 C ATOM 254 OE1 GLN A 20 10.362 10.583 -3.918 1.00 0.00 O ATOM 255 NE2 GLN A 20 11.985 9.041 -3.869 1.00 0.00 N ATOM 0 H GLN A 20 8.953 7.704 0.322 1.00 0.00 H new ATOM 0 HA GLN A 20 10.203 10.333 0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.917 9.370 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.352 11.034 -1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.711 10.462 -1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.350 8.751 -1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.576 8.431 -3.305 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.078 9.044 -4.885 1.00 0.00 H new ATOM 264 N VAL A 21 7.995 11.280 1.354 1.00 0.00 N ATOM 265 CA VAL A 21 6.726 11.806 1.825 1.00 0.00 C ATOM 266 C VAL A 21 6.565 13.263 1.406 1.00 0.00 C ATOM 267 O VAL A 21 7.307 14.137 1.862 1.00 0.00 O ATOM 268 CB VAL A 21 6.594 11.707 3.362 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.267 12.283 3.824 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.739 10.270 3.832 1.00 0.00 C ATOM 0 H VAL A 21 8.800 11.866 1.577 1.00 0.00 H new ATOM 0 HA VAL A 21 5.943 11.199 1.372 1.00 0.00 H new ATOM 0 HB VAL A 21 7.400 12.292 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.194 12.204 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.204 13.331 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.450 11.728 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.642 10.230 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.961 9.658 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.718 9.889 3.541 1.00 0.00 H new ATOM 280 N ASP A 22 5.601 13.515 0.534 1.00 0.00 N ATOM 281 CA ASP A 22 5.315 14.863 0.062 1.00 0.00 C ATOM 282 C ASP A 22 3.837 15.181 0.253 1.00 0.00 C ATOM 283 O ASP A 22 3.135 14.470 0.971 1.00 0.00 O ATOM 284 CB ASP A 22 5.697 15.010 -1.417 1.00 0.00 C ATOM 285 CG ASP A 22 7.196 15.003 -1.650 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.784 13.906 -1.780 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.794 16.098 -1.711 1.00 0.00 O ATOM 0 H ASP A 22 4.997 12.796 0.135 1.00 0.00 H new ATOM 0 HA ASP A 22 5.909 15.567 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.244 14.198 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.280 15.940 -1.803 1.00 0.00 H new ATOM 292 N ASP A 23 3.376 16.257 -0.372 1.00 0.00 N ATOM 293 CA ASP A 23 1.973 16.656 -0.305 1.00 0.00 C ATOM 294 C ASP A 23 1.053 15.641 -0.978 1.00 0.00 C ATOM 295 O ASP A 23 0.266 14.962 -0.322 1.00 0.00 O ATOM 296 CB ASP A 23 1.784 18.038 -0.950 1.00 0.00 C ATOM 297 CG ASP A 23 2.550 18.211 -2.252 1.00 0.00 C ATOM 298 OD1 ASP A 23 2.060 17.771 -3.313 1.00 0.00 O ATOM 299 OD2 ASP A 23 3.651 18.788 -2.217 1.00 0.00 O ATOM 0 H ASP A 23 3.959 16.875 -0.937 1.00 0.00 H new ATOM 0 HA ASP A 23 1.700 16.701 0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.723 18.200 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.104 18.806 -0.245 1.00 0.00 H new ATOM 304 N THR A 24 1.163 15.551 -2.285 1.00 0.00 N ATOM 305 CA THR A 24 0.280 14.732 -3.088 1.00 0.00 C ATOM 306 C THR A 24 1.027 13.520 -3.637 1.00 0.00 C ATOM 307 O THR A 24 0.791 13.092 -4.760 1.00 0.00 O ATOM 308 CB THR A 24 -0.290 15.575 -4.246 1.00 0.00 C ATOM 309 OG1 THR A 24 0.781 16.111 -5.036 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.125 16.722 -3.701 1.00 0.00 C ATOM 0 H THR A 24 1.872 16.047 -2.825 1.00 0.00 H new ATOM 0 HA THR A 24 -0.539 14.375 -2.464 1.00 0.00 H new ATOM 0 HB THR A 24 -0.917 14.932 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.240 16.814 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.521 17.309 -4.529 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.950 16.323 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.503 17.358 -3.071 1.00 0.00 H new ATOM 318 N SER A 25 1.928 12.973 -2.831 1.00 0.00 N ATOM 319 CA SER A 25 2.770 11.860 -3.250 1.00 0.00 C ATOM 320 C SER A 25 3.543 11.283 -2.064 1.00 0.00 C ATOM 321 O SER A 25 4.092 12.022 -1.248 1.00 0.00 O ATOM 322 CB SER A 25 3.733 12.291 -4.363 1.00 0.00 C ATOM 323 OG SER A 25 4.551 13.370 -3.951 1.00 0.00 O ATOM 0 H SER A 25 2.095 13.286 -1.875 1.00 0.00 H new ATOM 0 HA SER A 25 2.120 11.079 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.360 11.447 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.164 12.581 -5.246 1.00 0.00 H new ATOM 0 HG SER A 25 5.155 13.620 -4.681 1.00 0.00 H new ATOM 329 N ILE A 26 3.559 9.964 -1.972 1.00 0.00 N ATOM 330 CA ILE A 26 4.296 9.247 -0.931 1.00 0.00 C ATOM 331 C ILE A 26 4.751 7.913 -1.510 1.00 0.00 C ATOM 332 O ILE A 26 4.020 7.307 -2.265 1.00 0.00 O ATOM 333 CB ILE A 26 3.420 9.001 0.335 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.216 10.293 1.130 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.029 7.939 1.233 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.349 10.119 2.359 1.00 0.00 C ATOM 0 H ILE A 26 3.060 9.352 -2.618 1.00 0.00 H new ATOM 0 HA ILE A 26 5.149 9.851 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 26 2.450 8.647 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.189 10.680 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.764 11.042 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.393 7.792 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.112 7.002 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.020 8.260 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.249 11.076 2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.363 9.762 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.810 9.394 3.030 1.00 0.00 H new ATOM 348 N VAL A 27 5.945 7.452 -1.188 1.00 0.00 N ATOM 349 CA VAL A 27 6.433 6.223 -1.791 1.00 0.00 C ATOM 350 C VAL A 27 6.672 5.179 -0.727 1.00 0.00 C ATOM 351 O VAL A 27 7.308 5.465 0.276 1.00 0.00 O ATOM 352 CB VAL A 27 7.744 6.436 -2.557 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.164 5.137 -3.228 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.600 7.549 -3.579 1.00 0.00 C ATOM 0 H VAL A 27 6.583 7.896 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 27 5.667 5.892 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 27 8.518 6.734 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.096 5.293 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.310 4.367 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.387 4.819 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.543 7.681 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.817 7.290 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.336 8.477 -3.072 1.00 0.00 H new ATOM 364 N VAL A 28 6.188 3.968 -0.941 1.00 0.00 N ATOM 365 CA VAL A 28 6.354 2.935 0.063 1.00 0.00 C ATOM 366 C VAL A 28 7.020 1.706 -0.544 1.00 0.00 C ATOM 367 O VAL A 28 6.804 1.398 -1.714 1.00 0.00 O ATOM 368 CB VAL A 28 5.012 2.557 0.732 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.983 3.653 0.579 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.480 1.241 0.219 1.00 0.00 C ATOM 0 H VAL A 28 5.688 3.681 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 28 7.001 3.336 0.843 1.00 0.00 H new ATOM 0 HB VAL A 28 5.214 2.438 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.054 3.350 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.353 4.567 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.799 3.834 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.536 1.012 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.318 1.308 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.201 0.451 0.429 1.00 0.00 H new ATOM 380 N ARG A 29 7.834 1.022 0.254 1.00 0.00 N ATOM 381 CA ARG A 29 8.611 -0.122 -0.221 1.00 0.00 C ATOM 382 C ARG A 29 8.456 -1.307 0.719 1.00 0.00 C ATOM 383 O ARG A 29 8.791 -1.225 1.896 1.00 0.00 O ATOM 384 CB ARG A 29 10.094 0.249 -0.336 1.00 0.00 C ATOM 385 CG ARG A 29 10.353 1.510 -1.146 1.00 0.00 C ATOM 386 CD ARG A 29 11.834 1.709 -1.400 1.00 0.00 C ATOM 387 NE ARG A 29 12.097 2.839 -2.288 1.00 0.00 N ATOM 388 CZ ARG A 29 13.265 3.047 -2.895 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.270 2.195 -2.718 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.423 4.101 -3.688 1.00 0.00 N ATOM 0 H ARG A 29 7.974 1.241 1.240 1.00 0.00 H new ATOM 0 HA ARG A 29 8.232 -0.400 -1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.504 0.382 0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.632 -0.582 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.824 1.448 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.954 2.374 -0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.345 1.869 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.251 0.802 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 29 11.344 3.507 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.148 1.380 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.163 2.356 -3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.650 4.751 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.317 4.260 -4.153 1.00 0.00 H new ATOM 404 N TRP A 30 7.983 -2.412 0.172 1.00 0.00 N ATOM 405 CA TRP A 30 7.634 -3.589 0.966 1.00 0.00 C ATOM 406 C TRP A 30 8.572 -4.766 0.694 1.00 0.00 C ATOM 407 O TRP A 30 8.983 -5.006 -0.446 1.00 0.00 O ATOM 408 CB TRP A 30 6.174 -3.997 0.688 1.00 0.00 C ATOM 409 CG TRP A 30 5.850 -4.154 -0.760 1.00 0.00 C ATOM 410 CD1 TRP A 30 6.095 -5.238 -1.533 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.189 -3.207 -1.594 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.668 -5.013 -2.814 1.00 0.00 N ATOM 413 CE2 TRP A 30 5.089 -3.777 -2.874 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.673 -1.933 -1.386 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.495 -3.115 -3.938 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.079 -1.279 -2.441 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.991 -1.869 -3.699 1.00 0.00 C ATOM 0 H TRP A 30 7.828 -2.525 -0.830 1.00 0.00 H new ATOM 0 HA TRP A 30 7.745 -3.322 2.017 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.967 -4.937 1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.510 -3.247 1.118 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.561 -6.150 -1.188 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.766 -5.661 -3.595 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.737 -1.465 -0.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.434 -3.567 -4.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.673 -0.289 -2.290 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.514 -1.329 -4.503 1.00 0.00 H new ATOM 428 N SER A 31 8.912 -5.495 1.752 1.00 0.00 N ATOM 429 CA SER A 31 9.673 -6.728 1.618 1.00 0.00 C ATOM 430 C SER A 31 8.743 -7.870 1.213 1.00 0.00 C ATOM 431 O SER A 31 8.225 -8.595 2.056 1.00 0.00 O ATOM 432 CB SER A 31 10.392 -7.061 2.928 1.00 0.00 C ATOM 433 OG SER A 31 11.309 -6.038 3.280 1.00 0.00 O ATOM 0 H SER A 31 8.671 -5.251 2.713 1.00 0.00 H new ATOM 0 HA SER A 31 10.426 -6.594 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.660 -7.189 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.921 -8.009 2.826 1.00 0.00 H new ATOM 0 HG SER A 31 11.754 -6.273 4.121 1.00 0.00 H new ATOM 439 N ARG A 32 8.535 -7.992 -0.092 1.00 0.00 N ATOM 440 CA ARG A 32 7.637 -8.988 -0.684 1.00 0.00 C ATOM 441 C ARG A 32 7.866 -10.395 -0.106 1.00 0.00 C ATOM 442 O ARG A 32 8.978 -10.737 0.305 1.00 0.00 O ATOM 443 CB ARG A 32 7.821 -8.995 -2.208 1.00 0.00 C ATOM 444 CG ARG A 32 9.268 -8.850 -2.645 1.00 0.00 C ATOM 445 CD ARG A 32 9.620 -7.412 -3.006 1.00 0.00 C ATOM 446 NE ARG A 32 11.049 -7.265 -3.285 1.00 0.00 N ATOM 447 CZ ARG A 32 11.869 -6.433 -2.639 1.00 0.00 C ATOM 448 NH1 ARG A 32 11.418 -5.656 -1.658 1.00 0.00 N ATOM 449 NH2 ARG A 32 13.148 -6.373 -2.982 1.00 0.00 N ATOM 0 H ARG A 32 8.990 -7.395 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 32 6.613 -8.709 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.420 -9.925 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.236 -8.183 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.923 -9.192 -1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.452 -9.494 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.044 -7.103 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.338 -6.750 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 32 11.447 -7.840 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.434 -5.691 -1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.056 -5.025 -1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.502 -6.961 -3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.778 -5.739 -2.491 1.00 0.00 H new ATOM 463 N PRO A 33 6.806 -11.234 -0.088 1.00 0.00 N ATOM 464 CA PRO A 33 6.814 -12.535 0.573 1.00 0.00 C ATOM 465 C PRO A 33 7.496 -13.610 -0.256 1.00 0.00 C ATOM 466 O PRO A 33 7.687 -13.460 -1.463 1.00 0.00 O ATOM 467 CB PRO A 33 5.319 -12.887 0.713 1.00 0.00 C ATOM 468 CG PRO A 33 4.557 -11.746 0.123 1.00 0.00 C ATOM 469 CD PRO A 33 5.519 -11.002 -0.743 1.00 0.00 C ATOM 0 HA PRO A 33 7.360 -12.489 1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.089 -13.817 0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.051 -13.032 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.708 -12.105 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.158 -11.100 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.514 -11.378 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.278 -9.940 -0.793 1.00 0.00 H new ATOM 477 N GLN A 34 7.849 -14.699 0.409 1.00 0.00 N ATOM 478 CA GLN A 34 8.365 -15.878 -0.263 1.00 0.00 C ATOM 479 C GLN A 34 7.200 -16.708 -0.784 1.00 0.00 C ATOM 480 O GLN A 34 7.379 -17.629 -1.583 1.00 0.00 O ATOM 481 CB GLN A 34 9.216 -16.706 0.692 1.00 0.00 C ATOM 482 CG GLN A 34 10.339 -15.915 1.342 1.00 0.00 C ATOM 483 CD GLN A 34 11.178 -16.760 2.274 1.00 0.00 C ATOM 484 OE1 GLN A 34 10.894 -16.858 3.468 1.00 0.00 O ATOM 485 NE2 GLN A 34 12.215 -17.378 1.737 1.00 0.00 N ATOM 0 H GLN A 34 7.786 -14.789 1.423 1.00 0.00 H new ATOM 0 HA GLN A 34 8.993 -15.569 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.576 -17.120 1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.643 -17.549 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.977 -15.492 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.915 -15.078 1.898 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.415 -17.269 0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.816 -17.964 2.317 1.00 0.00 H new ATOM 494 N ALA A 35 6.004 -16.364 -0.306 1.00 0.00 N ATOM 495 CA ALA A 35 4.764 -16.976 -0.760 1.00 0.00 C ATOM 496 C ALA A 35 4.577 -16.785 -2.256 1.00 0.00 C ATOM 497 O ALA A 35 4.978 -15.756 -2.804 1.00 0.00 O ATOM 498 CB ALA A 35 3.589 -16.345 -0.035 1.00 0.00 C ATOM 0 H ALA A 35 5.872 -15.650 0.410 1.00 0.00 H new ATOM 0 HA ALA A 35 4.814 -18.043 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.661 -16.805 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.698 -16.501 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.563 -15.276 -0.246 1.00 0.00 H new ATOM 504 N PRO A 36 3.975 -17.764 -2.945 1.00 0.00 N ATOM 505 CA PRO A 36 3.613 -17.596 -4.343 1.00 0.00 C ATOM 506 C PRO A 36 2.473 -16.596 -4.477 1.00 0.00 C ATOM 507 O PRO A 36 1.359 -16.850 -4.030 1.00 0.00 O ATOM 508 CB PRO A 36 3.151 -18.994 -4.785 1.00 0.00 C ATOM 509 CG PRO A 36 3.548 -19.921 -3.684 1.00 0.00 C ATOM 510 CD PRO A 36 3.608 -19.091 -2.435 1.00 0.00 C ATOM 0 HA PRO A 36 4.438 -17.217 -4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.073 -19.017 -4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.620 -19.281 -5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.826 -20.731 -3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.514 -20.381 -3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.651 -19.074 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.347 -19.473 -1.731 1.00 0.00 H new ATOM 518 N ILE A 37 2.762 -15.470 -5.104 1.00 0.00 N ATOM 519 CA ILE A 37 1.791 -14.399 -5.262 1.00 0.00 C ATOM 520 C ILE A 37 1.705 -14.003 -6.745 1.00 0.00 C ATOM 521 O ILE A 37 2.689 -14.111 -7.478 1.00 0.00 O ATOM 522 CB ILE A 37 2.189 -13.166 -4.399 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.545 -12.634 -4.861 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.217 -13.497 -2.891 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.237 -11.756 -3.851 1.00 0.00 C ATOM 0 H ILE A 37 3.673 -15.271 -5.517 1.00 0.00 H new ATOM 0 HA ILE A 37 0.817 -14.751 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 37 1.430 -12.397 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.193 -13.478 -5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.407 -12.070 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.500 -12.607 -2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.229 -13.829 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.943 -14.289 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.192 -11.420 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.611 -10.891 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.409 -12.321 -2.935 1.00 0.00 H new ATOM 537 N THR A 38 0.523 -13.579 -7.190 1.00 0.00 N ATOM 538 CA THR A 38 0.306 -13.201 -8.586 1.00 0.00 C ATOM 539 C THR A 38 0.414 -11.697 -8.821 1.00 0.00 C ATOM 540 O THR A 38 0.768 -11.265 -9.918 1.00 0.00 O ATOM 541 CB THR A 38 -1.064 -13.674 -9.099 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.094 -13.361 -8.151 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.052 -15.155 -9.381 1.00 0.00 C ATOM 0 H THR A 38 -0.304 -13.488 -6.600 1.00 0.00 H new ATOM 0 HA THR A 38 1.103 -13.698 -9.140 1.00 0.00 H new ATOM 0 HB THR A 38 -1.273 -13.148 -10.030 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.959 -13.668 -8.495 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.033 -15.464 -9.743 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.300 -15.375 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.815 -15.698 -8.466 1.00 0.00 H new ATOM 551 N GLY A 39 0.097 -10.893 -7.818 1.00 0.00 N ATOM 552 CA GLY A 39 0.152 -9.462 -7.997 1.00 0.00 C ATOM 553 C GLY A 39 0.109 -8.725 -6.689 1.00 0.00 C ATOM 554 O GLY A 39 0.266 -9.336 -5.641 1.00 0.00 O ATOM 0 H GLY A 39 -0.195 -11.204 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.065 -9.199 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.684 -9.143 -8.620 1.00 0.00 H new ATOM 558 N TYR A 40 -0.104 -7.419 -6.750 1.00 0.00 N ATOM 559 CA TYR A 40 -0.292 -6.602 -5.560 1.00 0.00 C ATOM 560 C TYR A 40 -1.401 -5.590 -5.756 1.00 0.00 C ATOM 561 O TYR A 40 -1.471 -4.928 -6.791 1.00 0.00 O ATOM 562 CB TYR A 40 0.974 -5.829 -5.206 1.00 0.00 C ATOM 563 CG TYR A 40 1.942 -6.584 -4.336 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.382 -7.848 -4.682 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.424 -6.024 -3.166 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.273 -8.530 -3.895 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.318 -6.701 -2.375 1.00 0.00 C ATOM 568 CZ TYR A 40 3.743 -7.949 -2.746 1.00 0.00 C ATOM 569 OH TYR A 40 4.641 -8.617 -1.965 1.00 0.00 O ATOM 0 H TYR A 40 -0.151 -6.896 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.547 -7.293 -4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.480 -5.543 -6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.692 -4.907 -4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.017 -8.307 -5.589 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.092 -5.040 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.603 -9.519 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.685 -6.252 -1.464 1.00 0.00 H new ATOM 0 HH TYR A 40 5.189 -9.204 -2.526 1.00 0.00 H new ATOM 579 N ARG A 41 -2.267 -5.480 -4.768 1.00 0.00 N ATOM 580 CA ARG A 41 -3.191 -4.360 -4.706 1.00 0.00 C ATOM 581 C ARG A 41 -2.699 -3.394 -3.663 1.00 0.00 C ATOM 582 O ARG A 41 -2.035 -3.793 -2.728 1.00 0.00 O ATOM 583 CB ARG A 41 -4.582 -4.812 -4.331 1.00 0.00 C ATOM 584 CG ARG A 41 -4.929 -6.176 -4.886 1.00 0.00 C ATOM 585 CD ARG A 41 -5.105 -6.156 -6.396 1.00 0.00 C ATOM 586 NE ARG A 41 -6.147 -5.216 -6.815 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.814 -5.298 -7.967 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.564 -6.283 -8.822 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.730 -4.387 -8.258 1.00 0.00 N ATOM 0 H ARG A 41 -2.352 -6.147 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.237 -3.892 -5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.671 -4.834 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.306 -4.083 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.143 -6.884 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.848 -6.533 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.161 -5.884 -6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.359 -7.157 -6.745 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.378 -4.448 -6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.857 -6.984 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.079 -6.338 -9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.921 -3.629 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.244 -4.443 -9.137 1.00 0.00 H new ATOM 603 N ILE A 42 -2.968 -2.127 -3.834 1.00 0.00 N ATOM 604 CA ILE A 42 -2.504 -1.144 -2.863 1.00 0.00 C ATOM 605 C ILE A 42 -3.545 -0.088 -2.576 1.00 0.00 C ATOM 606 O ILE A 42 -3.761 0.789 -3.392 1.00 0.00 O ATOM 607 CB ILE A 42 -1.220 -0.462 -3.363 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.224 -1.513 -3.829 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.612 0.400 -2.265 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.941 -0.952 -4.592 1.00 0.00 C ATOM 0 H ILE A 42 -3.496 -1.745 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.305 -1.685 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.469 0.184 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.150 -2.055 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.742 -2.237 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.296 0.875 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.327 1.167 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.369 -0.224 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.606 -1.763 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.579 -0.435 -5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.485 -0.250 -3.960 1.00 0.00 H new ATOM 622 N VAL A 43 -4.134 -0.128 -1.388 1.00 0.00 N ATOM 623 CA VAL A 43 -5.159 0.843 -1.033 1.00 0.00 C ATOM 624 C VAL A 43 -4.645 1.809 0.013 1.00 0.00 C ATOM 625 O VAL A 43 -4.431 1.444 1.164 1.00 0.00 O ATOM 626 CB VAL A 43 -6.455 0.187 -0.509 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.428 1.243 -0.029 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.103 -0.670 -1.580 1.00 0.00 C ATOM 0 H VAL A 43 -3.923 -0.813 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.398 1.374 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.189 -0.455 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.335 0.762 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.972 1.818 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.678 1.910 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.014 -1.120 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.349 -0.050 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.412 -1.456 -1.884 1.00 0.00 H new ATOM 638 N TYR A 44 -4.452 3.041 -0.396 1.00 0.00 N ATOM 639 CA TYR A 44 -4.033 4.089 0.503 1.00 0.00 C ATOM 640 C TYR A 44 -5.130 5.106 0.645 1.00 0.00 C ATOM 641 O TYR A 44 -5.675 5.613 -0.350 1.00 0.00 O ATOM 642 CB TYR A 44 -2.715 4.728 0.048 1.00 0.00 C ATOM 643 CG TYR A 44 -2.556 4.838 -1.451 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.263 3.715 -2.213 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.683 6.056 -2.102 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.105 3.796 -3.576 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.524 6.149 -3.468 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.236 5.018 -4.201 1.00 0.00 C ATOM 649 OH TYR A 44 -2.076 5.113 -5.558 1.00 0.00 O ATOM 0 H TYR A 44 -4.581 3.344 -1.361 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.842 3.653 1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.640 5.725 0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.886 4.143 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.157 2.758 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.910 6.944 -1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.880 2.911 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.625 7.104 -3.962 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.202 6.044 -5.838 1.00 0.00 H new ATOM 659 N SER A 45 -5.481 5.352 1.892 1.00 0.00 N ATOM 660 CA SER A 45 -6.612 6.208 2.212 1.00 0.00 C ATOM 661 C SER A 45 -6.301 7.159 3.370 1.00 0.00 C ATOM 662 O SER A 45 -5.614 6.795 4.324 1.00 0.00 O ATOM 663 CB SER A 45 -7.821 5.342 2.564 1.00 0.00 C ATOM 664 OG SER A 45 -7.987 4.293 1.622 1.00 0.00 O ATOM 0 H SER A 45 -4.998 4.970 2.705 1.00 0.00 H new ATOM 0 HA SER A 45 -6.829 6.818 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.694 4.923 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.720 5.959 2.589 1.00 0.00 H new ATOM 0 HG SER A 45 -8.766 3.752 1.869 1.00 0.00 H new ATOM 670 N PRO A 46 -6.802 8.399 3.277 1.00 0.00 N ATOM 671 CA PRO A 46 -6.677 9.406 4.336 1.00 0.00 C ATOM 672 C PRO A 46 -7.648 9.152 5.488 1.00 0.00 C ATOM 673 O PRO A 46 -8.837 8.900 5.273 1.00 0.00 O ATOM 674 CB PRO A 46 -7.042 10.701 3.612 1.00 0.00 C ATOM 675 CG PRO A 46 -7.967 10.287 2.525 1.00 0.00 C ATOM 676 CD PRO A 46 -7.539 8.912 2.109 1.00 0.00 C ATOM 0 HA PRO A 46 -5.687 9.411 4.792 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.520 11.410 4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.156 11.192 3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.000 10.284 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.916 10.981 1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.396 8.282 1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.908 8.942 1.221 1.00 0.00 H new ATOM 744 N SER A 52 -8.416 8.669 -1.964 1.00 0.00 N ATOM 745 CA SER A 52 -7.956 7.301 -1.733 1.00 0.00 C ATOM 746 C SER A 52 -7.670 6.644 -3.067 1.00 0.00 C ATOM 747 O SER A 52 -8.339 6.940 -4.059 1.00 0.00 O ATOM 748 CB SER A 52 -9.004 6.476 -0.986 1.00 0.00 C ATOM 749 OG SER A 52 -9.318 7.053 0.267 1.00 0.00 O ATOM 0 HA SER A 52 -7.055 7.343 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.908 6.400 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.633 5.462 -0.839 1.00 0.00 H new ATOM 0 HG SER A 52 -9.992 6.504 0.720 1.00 0.00 H new ATOM 755 N THR A 53 -6.684 5.771 -3.118 1.00 0.00 N ATOM 756 CA THR A 53 -6.349 5.131 -4.380 1.00 0.00 C ATOM 757 C THR A 53 -5.857 3.700 -4.176 1.00 0.00 C ATOM 758 O THR A 53 -5.266 3.379 -3.144 1.00 0.00 O ATOM 759 CB THR A 53 -5.291 5.960 -5.139 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.723 7.324 -5.233 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.051 5.412 -6.537 1.00 0.00 C ATOM 0 H THR A 53 -6.111 5.491 -2.322 1.00 0.00 H new ATOM 0 HA THR A 53 -7.260 5.084 -4.977 1.00 0.00 H new ATOM 0 HB THR A 53 -4.356 5.899 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.049 7.848 -5.714 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.301 6.020 -7.042 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.698 4.383 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.982 5.440 -7.103 1.00 0.00 H new ATOM 769 N GLU A 54 -6.144 2.844 -5.154 1.00 0.00 N ATOM 770 CA GLU A 54 -5.669 1.480 -5.171 1.00 0.00 C ATOM 771 C GLU A 54 -4.824 1.240 -6.416 1.00 0.00 C ATOM 772 O GLU A 54 -5.335 1.280 -7.537 1.00 0.00 O ATOM 773 CB GLU A 54 -6.839 0.493 -5.154 1.00 0.00 C ATOM 774 CG GLU A 54 -6.395 -0.962 -5.089 1.00 0.00 C ATOM 775 CD GLU A 54 -7.534 -1.934 -5.301 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.247 -2.249 -4.327 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.720 -2.392 -6.449 1.00 0.00 O ATOM 0 H GLU A 54 -6.719 3.089 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.064 1.320 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.477 0.710 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.445 0.642 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.629 -1.137 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.936 -1.154 -4.119 1.00 0.00 H new ATOM 784 N LEU A 55 -3.537 0.997 -6.227 1.00 0.00 N ATOM 785 CA LEU A 55 -2.664 0.695 -7.353 1.00 0.00 C ATOM 786 C LEU A 55 -2.490 -0.804 -7.497 1.00 0.00 C ATOM 787 O LEU A 55 -2.748 -1.561 -6.563 1.00 0.00 O ATOM 788 CB LEU A 55 -1.298 1.411 -7.244 1.00 0.00 C ATOM 789 CG LEU A 55 -1.384 2.931 -7.357 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.014 3.549 -7.559 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.325 3.351 -8.478 1.00 0.00 C ATOM 0 H LEU A 55 -3.077 1.002 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.144 1.078 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.839 1.153 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.639 1.035 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.789 3.301 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.111 4.632 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.626 3.301 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.430 3.159 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.364 4.439 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.962 2.953 -9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.324 2.962 -8.280 1.00 0.00 H new ATOM 803 N ASN A 56 -2.116 -1.230 -8.688 1.00 0.00 N ATOM 804 CA ASN A 56 -1.862 -2.634 -8.951 1.00 0.00 C ATOM 805 C ASN A 56 -0.423 -2.803 -9.384 1.00 0.00 C ATOM 806 O ASN A 56 -0.012 -2.272 -10.414 1.00 0.00 O ATOM 807 CB ASN A 56 -2.800 -3.170 -10.036 1.00 0.00 C ATOM 808 CG ASN A 56 -2.650 -4.670 -10.248 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.823 -5.125 -11.039 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.464 -5.446 -9.548 1.00 0.00 N ATOM 0 H ASN A 56 -1.981 -0.620 -9.494 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.046 -3.201 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.831 -2.946 -9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.599 -2.652 -10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.419 -6.459 -9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.136 -5.030 -8.903 1.00 0.00 H new ATOM 817 N LEU A 57 0.347 -3.526 -8.597 1.00 0.00 N ATOM 818 CA LEU A 57 1.749 -3.715 -8.890 1.00 0.00 C ATOM 819 C LEU A 57 1.996 -5.170 -9.206 1.00 0.00 C ATOM 820 O LEU A 57 1.206 -6.031 -8.829 1.00 0.00 O ATOM 821 CB LEU A 57 2.639 -3.256 -7.718 1.00 0.00 C ATOM 822 CG LEU A 57 2.742 -1.746 -7.495 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.114 -1.394 -6.960 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.470 -0.970 -8.764 1.00 0.00 C ATOM 0 H LEU A 57 0.023 -3.992 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 57 2.012 -3.102 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.261 -3.712 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.644 -3.647 -7.878 1.00 0.00 H new ATOM 0 HG LEU A 57 1.981 -1.467 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.178 -0.317 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.278 -1.908 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.874 -1.703 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.553 0.098 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.196 -1.253 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.464 -1.195 -9.120 1.00 0.00 H new ATOM 836 N PRO A 58 3.060 -5.462 -9.948 1.00 0.00 N ATOM 837 CA PRO A 58 3.433 -6.833 -10.244 1.00 0.00 C ATOM 838 C PRO A 58 3.774 -7.611 -8.974 1.00 0.00 C ATOM 839 O PRO A 58 4.214 -7.048 -7.974 1.00 0.00 O ATOM 840 CB PRO A 58 4.661 -6.708 -11.158 1.00 0.00 C ATOM 841 CG PRO A 58 5.129 -5.296 -11.035 1.00 0.00 C ATOM 842 CD PRO A 58 3.952 -4.478 -10.579 1.00 0.00 C ATOM 0 HA PRO A 58 2.617 -7.384 -10.713 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.443 -7.405 -10.857 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.404 -6.944 -12.190 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.949 -5.223 -10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.505 -4.930 -11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.253 -3.703 -9.875 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.466 -3.977 -11.416 1.00 0.00 H new ATOM 850 N GLU A 59 3.518 -8.911 -9.038 1.00 0.00 N ATOM 851 CA GLU A 59 3.830 -9.872 -7.967 1.00 0.00 C ATOM 852 C GLU A 59 5.233 -9.691 -7.389 1.00 0.00 C ATOM 853 O GLU A 59 5.492 -10.038 -6.239 1.00 0.00 O ATOM 854 CB GLU A 59 3.712 -11.284 -8.537 1.00 0.00 C ATOM 855 CG GLU A 59 4.512 -11.474 -9.819 1.00 0.00 C ATOM 856 CD GLU A 59 4.336 -12.843 -10.433 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.324 -13.062 -11.131 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.217 -13.704 -10.233 1.00 0.00 O ATOM 0 H GLU A 59 3.078 -9.345 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 59 3.123 -9.700 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.055 -12.001 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.663 -11.505 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.211 -10.717 -10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.569 -11.311 -9.608 1.00 0.00 H new ATOM 865 N THR A 60 6.125 -9.157 -8.198 1.00 0.00 N ATOM 866 CA THR A 60 7.520 -9.007 -7.821 1.00 0.00 C ATOM 867 C THR A 60 7.870 -7.532 -7.590 1.00 0.00 C ATOM 868 O THR A 60 9.042 -7.151 -7.541 1.00 0.00 O ATOM 869 CB THR A 60 8.440 -9.623 -8.903 1.00 0.00 C ATOM 870 OG1 THR A 60 9.818 -9.529 -8.522 1.00 0.00 O ATOM 871 CG2 THR A 60 8.227 -8.943 -10.246 1.00 0.00 C ATOM 0 H THR A 60 5.906 -8.815 -9.134 1.00 0.00 H new ATOM 0 HA THR A 60 7.680 -9.541 -6.884 1.00 0.00 H new ATOM 0 HB THR A 60 8.177 -10.677 -8.997 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.967 -8.690 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.884 -9.393 -10.990 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.189 -9.067 -10.556 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.454 -7.881 -10.156 1.00 0.00 H new ATOM 879 N ALA A 61 6.847 -6.703 -7.437 1.00 0.00 N ATOM 880 CA ALA A 61 7.056 -5.289 -7.164 1.00 0.00 C ATOM 881 C ALA A 61 7.472 -5.100 -5.721 1.00 0.00 C ATOM 882 O ALA A 61 7.285 -5.994 -4.891 1.00 0.00 O ATOM 883 CB ALA A 61 5.800 -4.491 -7.452 1.00 0.00 C ATOM 0 H ALA A 61 5.868 -6.984 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 61 7.848 -4.925 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.982 -3.437 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.527 -4.608 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.987 -4.853 -6.823 1.00 0.00 H new ATOM 889 N ASN A 62 8.028 -3.943 -5.412 1.00 0.00 N ATOM 890 CA ASN A 62 8.527 -3.701 -4.071 1.00 0.00 C ATOM 891 C ASN A 62 8.292 -2.274 -3.608 1.00 0.00 C ATOM 892 O ASN A 62 8.737 -1.907 -2.529 1.00 0.00 O ATOM 893 CB ASN A 62 10.022 -3.998 -3.993 1.00 0.00 C ATOM 894 CG ASN A 62 10.869 -3.022 -4.797 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.436 -2.491 -5.822 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.087 -2.785 -4.340 1.00 0.00 N ATOM 0 H ASN A 62 8.145 -3.165 -6.062 1.00 0.00 H new ATOM 0 HA ASN A 62 7.971 -4.370 -3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.338 -3.970 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.204 -5.010 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.703 -2.144 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.410 -3.243 -3.488 1.00 0.00 H new ATOM 903 N SER A 63 7.601 -1.469 -4.397 1.00 0.00 N ATOM 904 CA SER A 63 7.420 -0.077 -4.029 1.00 0.00 C ATOM 905 C SER A 63 6.354 0.605 -4.884 1.00 0.00 C ATOM 906 O SER A 63 6.347 0.472 -6.105 1.00 0.00 O ATOM 907 CB SER A 63 8.755 0.663 -4.171 1.00 0.00 C ATOM 908 OG SER A 63 9.287 0.530 -5.481 1.00 0.00 O ATOM 0 H SER A 63 7.165 -1.747 -5.276 1.00 0.00 H new ATOM 0 HA SER A 63 7.080 -0.043 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.613 1.719 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.468 0.271 -3.446 1.00 0.00 H new ATOM 0 HG SER A 63 9.640 -0.376 -5.600 1.00 0.00 H new ATOM 914 N VAL A 64 5.465 1.344 -4.241 1.00 0.00 N ATOM 915 CA VAL A 64 4.446 2.101 -4.957 1.00 0.00 C ATOM 916 C VAL A 64 4.647 3.598 -4.746 1.00 0.00 C ATOM 917 O VAL A 64 4.973 4.044 -3.632 1.00 0.00 O ATOM 918 CB VAL A 64 3.003 1.728 -4.529 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.837 1.805 -3.038 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.004 2.616 -5.210 1.00 0.00 C ATOM 0 H VAL A 64 5.426 1.437 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 64 4.562 1.843 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 64 2.823 0.697 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.814 1.538 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.530 1.113 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.046 2.820 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.998 2.339 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.195 3.654 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.092 2.501 -6.290 1.00 0.00 H new ATOM 930 N THR A 65 4.495 4.356 -5.827 1.00 0.00 N ATOM 931 CA THR A 65 4.403 5.786 -5.754 1.00 0.00 C ATOM 932 C THR A 65 2.938 6.200 -5.690 1.00 0.00 C ATOM 933 O THR A 65 2.222 6.188 -6.693 1.00 0.00 O ATOM 934 CB THR A 65 5.061 6.415 -6.985 1.00 0.00 C ATOM 935 OG1 THR A 65 6.480 6.203 -6.935 1.00 0.00 O ATOM 936 CG2 THR A 65 4.748 7.910 -7.091 1.00 0.00 C ATOM 0 H THR A 65 4.433 3.983 -6.774 1.00 0.00 H new ATOM 0 HA THR A 65 4.918 6.132 -4.858 1.00 0.00 H new ATOM 0 HB THR A 65 4.652 5.933 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.899 6.605 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.232 8.321 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.670 8.051 -7.168 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.119 8.423 -6.204 1.00 0.00 H new ATOM 944 N LEU A 66 2.492 6.523 -4.499 1.00 0.00 N ATOM 945 CA LEU A 66 1.169 7.065 -4.303 1.00 0.00 C ATOM 946 C LEU A 66 1.203 8.526 -4.685 1.00 0.00 C ATOM 947 O LEU A 66 2.201 9.208 -4.441 1.00 0.00 O ATOM 948 CB LEU A 66 0.729 6.947 -2.851 1.00 0.00 C ATOM 949 CG LEU A 66 1.491 5.939 -2.009 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.247 6.208 -0.553 1.00 0.00 C ATOM 951 CD2 LEU A 66 1.070 4.531 -2.372 1.00 0.00 C ATOM 0 H LEU A 66 3.034 6.418 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 66 0.463 6.506 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.821 7.927 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.328 6.683 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 66 2.558 6.038 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.795 5.483 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.587 7.214 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.181 6.123 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.623 3.817 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.002 4.412 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.282 4.348 -3.426 1.00 0.00 H new ATOM 963 N SER A 67 0.136 9.012 -5.267 1.00 0.00 N ATOM 964 CA SER A 67 0.091 10.379 -5.720 1.00 0.00 C ATOM 965 C SER A 67 -1.341 10.880 -5.721 1.00 0.00 C ATOM 966 O SER A 67 -2.274 10.092 -5.552 1.00 0.00 O ATOM 967 CB SER A 67 0.746 10.504 -7.100 1.00 0.00 C ATOM 968 OG SER A 67 2.157 10.588 -6.980 1.00 0.00 O ATOM 0 H SER A 67 -0.716 8.479 -5.439 1.00 0.00 H new ATOM 0 HA SER A 67 0.659 11.007 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.479 9.644 -7.714 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.366 11.390 -7.609 1.00 0.00 H new ATOM 0 HG SER A 67 2.436 10.207 -6.121 1.00 0.00 H new ATOM 974 N ASP A 68 -1.496 12.191 -5.872 1.00 0.00 N ATOM 975 CA ASP A 68 -2.796 12.847 -5.785 1.00 0.00 C ATOM 976 C ASP A 68 -3.320 12.802 -4.351 1.00 0.00 C ATOM 977 O ASP A 68 -4.525 12.848 -4.114 1.00 0.00 O ATOM 978 CB ASP A 68 -3.803 12.224 -6.762 1.00 0.00 C ATOM 979 CG ASP A 68 -3.410 12.440 -8.211 1.00 0.00 C ATOM 980 OD1 ASP A 68 -3.629 13.557 -8.729 1.00 0.00 O ATOM 981 OD2 ASP A 68 -2.872 11.502 -8.841 1.00 0.00 O ATOM 0 H ASP A 68 -0.723 12.830 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.669 13.891 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.883 11.155 -6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.789 12.655 -6.587 1.00 0.00 H new ATOM 986 N LEU A 69 -2.389 12.718 -3.396 1.00 0.00 N ATOM 987 CA LEU A 69 -2.730 12.753 -1.972 1.00 0.00 C ATOM 988 C LEU A 69 -3.131 14.171 -1.571 1.00 0.00 C ATOM 989 O LEU A 69 -3.233 15.058 -2.417 1.00 0.00 O ATOM 990 CB LEU A 69 -1.551 12.312 -1.083 1.00 0.00 C ATOM 991 CG LEU A 69 -0.684 11.168 -1.586 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.452 10.929 -0.618 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.521 9.915 -1.715 1.00 0.00 C ATOM 0 H LEU A 69 -1.391 12.625 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.556 12.058 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.908 13.177 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.951 12.028 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.274 11.426 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.072 10.109 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.056 11.832 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.048 10.673 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.898 9.097 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.936 9.653 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.333 10.091 -2.421 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.386 14.381 -0.291 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.661 15.715 0.209 1.00 0.00 C ATOM 1007 C GLN A 70 -2.685 16.054 1.331 1.00 0.00 C ATOM 1008 O GLN A 70 -2.503 15.261 2.254 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.105 15.813 0.697 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.546 17.232 1.012 1.00 0.00 C ATOM 1011 CD GLN A 70 -7.012 17.316 1.368 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -7.863 17.459 0.489 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.319 17.242 2.653 1.00 0.00 N ATOM 0 H GLN A 70 -3.408 13.648 0.418 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.529 16.435 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.766 15.397 -0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.220 15.199 1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.952 17.619 1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.347 17.871 0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.581 17.123 3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.293 17.304 2.949 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.024 17.223 1.244 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.021 17.656 2.228 1.00 0.00 C ATOM 1024 C PRO A 71 -1.592 17.842 3.632 1.00 0.00 C ATOM 1025 O PRO A 71 -2.643 18.463 3.814 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.524 18.993 1.681 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.584 19.456 0.743 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.196 18.214 0.167 1.00 0.00 C ATOM 0 HA PRO A 71 -0.240 16.905 2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.369 19.713 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.431 18.877 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.332 20.054 1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.163 20.084 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.247 18.361 -0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.693 17.905 -0.749 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.883 17.314 4.621 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.313 17.431 5.999 1.00 0.00 C ATOM 1038 C GLY A 72 -2.359 16.398 6.353 1.00 0.00 C ATOM 1039 O GLY A 72 -3.277 16.671 7.128 1.00 0.00 O ATOM 0 H GLY A 72 -0.010 16.803 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.453 17.317 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.716 18.429 6.170 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.230 15.216 5.770 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.206 14.156 5.971 1.00 0.00 C ATOM 1045 C VAL A 73 -2.524 12.814 6.235 1.00 0.00 C ATOM 1046 O VAL A 73 -1.521 12.477 5.604 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.136 14.016 4.746 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.160 12.937 4.951 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.868 15.297 4.438 1.00 0.00 C ATOM 0 H VAL A 73 -1.457 14.966 5.153 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.798 14.432 6.843 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.485 13.760 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.797 12.867 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.657 11.984 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.771 13.176 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.509 15.150 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.478 15.583 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.147 16.086 4.227 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.080 12.064 7.179 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.603 10.745 7.525 1.00 0.00 C ATOM 1061 C GLN A 74 -3.015 9.748 6.457 1.00 0.00 C ATOM 1062 O GLN A 74 -4.197 9.424 6.328 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.226 10.349 8.852 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.554 9.172 9.546 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.201 9.517 10.135 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -0.144 9.322 9.364 1.00 0.00 O flip ATOM 1067 NE2 GLN A 74 -1.107 9.946 11.284 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.885 12.365 7.728 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.516 10.750 7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.201 11.210 9.520 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.275 10.104 8.686 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.206 8.807 10.340 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.435 8.358 8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.946 10.083 11.847 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.190 10.165 11.673 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.057 9.278 5.684 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.350 8.317 4.644 1.00 0.00 C ATOM 1078 C TYR A 75 -1.975 6.913 5.062 1.00 0.00 C ATOM 1079 O TYR A 75 -0.806 6.596 5.254 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.649 8.700 3.347 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.536 9.524 2.452 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.674 10.893 2.638 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.261 8.920 1.437 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.514 11.635 1.834 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.095 9.656 0.627 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.221 11.012 0.830 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.060 11.744 0.028 1.00 0.00 O ATOM 0 H TYR A 75 -1.075 9.545 5.756 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.426 8.332 4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.743 9.261 3.576 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.341 7.797 2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.116 11.383 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.170 7.855 1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.617 12.699 1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.648 9.172 -0.164 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.481 11.153 -0.630 1.00 0.00 H new ATOM 1097 N ASN A 76 -2.984 6.080 5.212 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.778 4.680 5.517 1.00 0.00 C ATOM 1099 C ASN A 76 -2.591 3.904 4.226 1.00 0.00 C ATOM 1100 O ASN A 76 -3.528 3.775 3.429 1.00 0.00 O ATOM 1101 CB ASN A 76 -3.960 4.106 6.305 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.046 4.638 7.726 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.681 5.781 8.006 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -4.520 3.803 8.638 1.00 0.00 N ATOM 0 H ASN A 76 -3.963 6.352 5.127 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.885 4.588 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.886 4.339 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.875 3.020 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.593 4.099 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -4.812 2.864 8.367 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.370 3.436 4.004 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.059 2.617 2.846 1.00 0.00 C ATOM 1113 C ILE A 77 -1.208 1.159 3.200 1.00 0.00 C ATOM 1114 O ILE A 77 -0.536 0.647 4.096 1.00 0.00 O ATOM 1115 CB ILE A 77 0.371 2.850 2.312 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.594 4.294 1.890 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.687 1.940 1.136 1.00 0.00 C ATOM 1118 CD1 ILE A 77 1.054 5.207 3.006 1.00 0.00 C ATOM 0 H ILE A 77 -0.575 3.613 4.618 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.759 2.905 2.062 1.00 0.00 H new ATOM 0 HB ILE A 77 1.041 2.616 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.334 4.316 1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.335 4.686 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.702 2.134 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.603 0.899 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.017 2.134 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.189 6.217 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.305 5.219 3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.000 4.843 3.407 1.00 0.00 H new ATOM 1130 N THR A 78 -2.111 0.507 2.517 1.00 0.00 N ATOM 1131 CA THR A 78 -2.361 -0.880 2.731 1.00 0.00 C ATOM 1132 C THR A 78 -1.862 -1.702 1.540 1.00 0.00 C ATOM 1133 O THR A 78 -2.371 -1.553 0.422 1.00 0.00 O ATOM 1134 CB THR A 78 -3.861 -1.090 2.933 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.331 -0.202 3.958 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.170 -2.525 3.323 1.00 0.00 C ATOM 0 H THR A 78 -2.693 0.932 1.795 1.00 0.00 H new ATOM 0 HA THR A 78 -1.825 -1.213 3.620 1.00 0.00 H new ATOM 0 HB THR A 78 -4.367 -0.878 1.991 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.293 -0.333 4.089 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.245 -2.642 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.829 -3.197 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.658 -2.767 4.254 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.864 -2.557 1.779 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.309 -3.387 0.697 1.00 0.00 C ATOM 1146 C ILE A 79 -0.981 -4.759 0.711 1.00 0.00 C ATOM 1147 O ILE A 79 -1.189 -5.346 1.765 1.00 0.00 O ATOM 1148 CB ILE A 79 1.236 -3.618 0.775 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.060 -2.354 0.986 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.743 -4.258 -0.490 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.686 -1.189 0.111 1.00 0.00 C ATOM 0 H ILE A 79 -0.428 -2.694 2.691 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.506 -2.831 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 79 1.364 -4.259 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.967 -2.049 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.110 -2.592 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.820 -4.410 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.250 -5.219 -0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.527 -3.609 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.331 -0.341 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.808 -1.466 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.647 -0.915 0.295 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.324 -5.258 -0.456 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.963 -6.553 -0.584 1.00 0.00 C ATOM 1165 C TYR A 80 -1.170 -7.441 -1.531 1.00 0.00 C ATOM 1166 O TYR A 80 -1.141 -7.185 -2.740 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.378 -6.406 -1.161 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.316 -5.499 -0.393 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.383 -4.131 -0.659 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.164 -6.020 0.575 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.264 -3.318 0.025 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.051 -5.210 1.257 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.097 -3.862 0.979 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.979 -3.051 1.659 1.00 0.00 O ATOM 0 H TYR A 80 -1.169 -4.780 -1.343 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.007 -6.996 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.296 -6.031 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.830 -7.396 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.737 -3.702 -1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.130 -7.076 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.301 -2.260 -0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.706 -5.632 2.005 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.494 -3.589 2.296 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.549 -8.487 -0.994 1.00 0.00 N ATOM 1185 CA ALA A 81 0.043 -9.523 -1.826 1.00 0.00 C ATOM 1186 C ALA A 81 -1.071 -10.449 -2.268 1.00 0.00 C ATOM 1187 O ALA A 81 -1.733 -11.063 -1.437 1.00 0.00 O ATOM 1188 CB ALA A 81 1.129 -10.302 -1.076 1.00 0.00 C ATOM 0 H ALA A 81 -0.444 -8.637 0.009 1.00 0.00 H new ATOM 0 HA ALA A 81 0.529 -9.066 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.547 -11.066 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.919 -9.618 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.695 -10.776 -0.196 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.316 -10.516 -3.559 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.427 -11.329 -4.053 1.00 0.00 C ATOM 1196 C VAL A 82 -1.907 -12.556 -4.767 1.00 0.00 C ATOM 1197 O VAL A 82 -0.991 -12.448 -5.569 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.383 -10.536 -4.984 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.662 -9.931 -6.161 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.509 -11.416 -5.485 1.00 0.00 C ATOM 0 H VAL A 82 -0.779 -10.032 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.006 -11.632 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.795 -9.725 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.373 -9.387 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.893 -9.246 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.198 -10.722 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.163 -10.835 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.094 -12.255 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.081 -11.793 -4.637 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.474 -13.720 -4.459 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.053 -14.963 -5.079 1.00 0.00 C ATOM 1212 C GLU A 83 -3.166 -15.514 -5.962 1.00 0.00 C ATOM 1213 O GLU A 83 -4.283 -14.996 -5.939 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.647 -16.023 -4.051 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.199 -15.481 -2.715 1.00 0.00 C ATOM 1216 CD GLU A 83 -2.351 -15.139 -1.797 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.007 -16.077 -1.294 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -2.607 -13.941 -1.577 1.00 0.00 O ATOM 0 H GLU A 83 -3.229 -13.823 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.175 -14.734 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.492 -16.692 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.840 -16.624 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.560 -16.217 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.593 -14.589 -2.876 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.849 -16.538 -6.748 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.791 -17.113 -7.716 1.00 0.00 C ATOM 1227 C GLU A 84 -5.185 -17.346 -7.125 1.00 0.00 C ATOM 1228 O GLU A 84 -6.198 -17.085 -7.778 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.254 -18.444 -8.251 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.864 -18.346 -8.856 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.411 -19.639 -9.498 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -0.911 -20.526 -8.775 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.548 -19.771 -10.731 1.00 0.00 O ATOM 0 H GLU A 84 -1.937 -16.995 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.886 -16.385 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.236 -19.171 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.942 -18.826 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.853 -17.552 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.154 -18.063 -8.079 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.240 -17.822 -5.890 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.504 -18.256 -5.309 1.00 0.00 C ATOM 1242 C ASN A 85 -6.994 -17.355 -4.176 1.00 0.00 C ATOM 1243 O ASN A 85 -8.187 -17.349 -3.873 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.390 -19.702 -4.807 1.00 0.00 C ATOM 1245 CG ASN A 85 -5.319 -19.887 -3.743 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -4.306 -19.185 -3.721 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -5.537 -20.836 -2.847 1.00 0.00 N ATOM 0 H ASN A 85 -4.432 -17.918 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.244 -18.191 -6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.352 -20.016 -4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.171 -20.356 -5.651 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.855 -21.006 -2.107 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.387 -21.398 -2.896 1.00 0.00 H new ATOM 1254 N GLN A 86 -6.107 -16.586 -3.555 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.489 -15.832 -2.363 1.00 0.00 C ATOM 1256 C GLN A 86 -5.824 -14.464 -2.327 1.00 0.00 C ATOM 1257 O GLN A 86 -5.042 -14.114 -3.213 1.00 0.00 O ATOM 1258 CB GLN A 86 -6.119 -16.607 -1.093 1.00 0.00 C ATOM 1259 CG GLN A 86 -6.836 -17.937 -0.938 1.00 0.00 C ATOM 1260 CD GLN A 86 -6.449 -18.657 0.336 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -7.084 -18.490 1.377 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -5.398 -19.456 0.269 1.00 0.00 N ATOM 0 H GLN A 86 -5.137 -16.468 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.569 -15.691 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.044 -16.785 -1.091 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.340 -15.986 -0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.913 -17.769 -0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.608 -18.572 -1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.898 -19.568 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.087 -19.961 1.099 1.00 0.00 H new ATOM 1271 N GLU A 87 -6.186 -13.684 -1.316 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.556 -12.403 -1.049 1.00 0.00 C ATOM 1273 C GLU A 87 -4.907 -12.456 0.330 1.00 0.00 C ATOM 1274 O GLU A 87 -5.586 -12.695 1.332 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.588 -11.266 -1.089 1.00 0.00 C ATOM 1276 CG GLU A 87 -7.413 -11.192 -2.369 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.537 -12.212 -2.420 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -9.500 -12.084 -1.627 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.469 -13.144 -3.246 1.00 0.00 O ATOM 0 H GLU A 87 -6.927 -13.925 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.806 -12.208 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.266 -11.381 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.068 -10.318 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.835 -10.192 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.756 -11.343 -3.226 1.00 0.00 H new ATOM 1286 N SER A 88 -3.601 -12.254 0.382 1.00 0.00 N ATOM 1287 CA SER A 88 -2.854 -12.359 1.630 1.00 0.00 C ATOM 1288 C SER A 88 -3.198 -11.232 2.601 1.00 0.00 C ATOM 1289 O SER A 88 -3.966 -10.318 2.275 1.00 0.00 O ATOM 1290 CB SER A 88 -1.352 -12.368 1.344 1.00 0.00 C ATOM 1291 OG SER A 88 -1.003 -13.446 0.493 1.00 0.00 O ATOM 0 H SER A 88 -3.031 -12.015 -0.429 1.00 0.00 H new ATOM 0 HA SER A 88 -3.140 -13.298 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.061 -11.425 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.800 -12.446 2.281 1.00 0.00 H new ATOM 0 HG SER A 88 -1.414 -13.314 -0.387 1.00 0.00 H new ATOM 1297 N THR A 89 -2.631 -11.312 3.796 1.00 0.00 N ATOM 1298 CA THR A 89 -2.844 -10.314 4.828 1.00 0.00 C ATOM 1299 C THR A 89 -2.379 -8.933 4.365 1.00 0.00 C ATOM 1300 O THR A 89 -1.518 -8.816 3.493 1.00 0.00 O ATOM 1301 CB THR A 89 -2.111 -10.719 6.120 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.896 -11.416 5.800 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.994 -11.604 6.987 1.00 0.00 C ATOM 0 H THR A 89 -2.010 -12.072 4.075 1.00 0.00 H new ATOM 0 HA THR A 89 -3.914 -10.259 5.030 1.00 0.00 H new ATOM 0 HB THR A 89 -1.873 -9.812 6.675 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.436 -11.668 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.456 -11.878 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.902 -11.063 7.253 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.258 -12.506 6.435 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.980 -7.866 4.898 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.654 -6.513 4.495 1.00 0.00 C ATOM 1313 C PRO A 90 -1.508 -5.883 5.291 1.00 0.00 C ATOM 1314 O PRO A 90 -1.359 -6.097 6.497 1.00 0.00 O ATOM 1315 CB PRO A 90 -3.959 -5.766 4.750 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.627 -6.499 5.866 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.036 -7.884 5.923 1.00 0.00 C ATOM 0 HA PRO A 90 -2.300 -6.478 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.770 -4.727 5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.585 -5.754 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.474 -5.979 6.811 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.703 -6.549 5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.630 -8.104 6.910 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.785 -8.646 5.710 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.707 -5.115 4.577 1.00 0.00 N ATOM 1326 CA VAL A 91 0.244 -4.187 5.159 1.00 0.00 C ATOM 1327 C VAL A 91 -0.494 -2.919 5.504 1.00 0.00 C ATOM 1328 O VAL A 91 -1.163 -2.375 4.634 1.00 0.00 O ATOM 1329 CB VAL A 91 1.306 -3.776 4.139 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.956 -2.472 4.570 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.344 -4.861 3.941 1.00 0.00 C ATOM 0 H VAL A 91 -0.699 -5.119 3.557 1.00 0.00 H new ATOM 0 HA VAL A 91 0.706 -4.670 6.020 1.00 0.00 H new ATOM 0 HB VAL A 91 0.815 -3.627 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.712 -2.184 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.198 -1.692 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.425 -2.604 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.081 -4.530 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.841 -5.066 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.858 -5.768 3.582 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.377 -2.439 6.725 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.931 -1.141 7.042 1.00 0.00 C ATOM 1343 C VAL A 92 0.157 -0.232 7.599 1.00 0.00 C ATOM 1344 O VAL A 92 0.589 -0.385 8.741 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.097 -1.223 8.048 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.836 0.103 8.087 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.054 -2.355 7.694 1.00 0.00 C ATOM 0 H VAL A 92 0.086 -2.916 7.498 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.328 -0.730 6.114 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.685 -1.434 9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.659 0.040 8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.150 0.893 8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.230 0.329 7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.865 -2.387 8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.466 -2.186 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.517 -3.303 7.708 1.00 0.00 H new ATOM 1357 N ILE A 93 0.592 0.710 6.778 1.00 0.00 N ATOM 1358 CA ILE A 93 1.595 1.683 7.180 1.00 0.00 C ATOM 1359 C ILE A 93 1.050 3.092 7.005 1.00 0.00 C ATOM 1360 O ILE A 93 0.805 3.542 5.886 1.00 0.00 O ATOM 1361 CB ILE A 93 2.915 1.529 6.381 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.636 1.327 4.893 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.735 0.370 6.931 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.830 1.630 4.026 1.00 0.00 C ATOM 0 H ILE A 93 0.262 0.822 5.819 1.00 0.00 H new ATOM 0 HA ILE A 93 1.823 1.500 8.230 1.00 0.00 H new ATOM 0 HB ILE A 93 3.489 2.449 6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.323 0.297 4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.805 1.966 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.659 0.274 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.973 0.558 7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.161 -0.553 6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.570 1.468 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.130 2.668 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.655 0.973 4.301 1.00 0.00 H new ATOM 1376 N GLN A 94 0.828 3.782 8.111 1.00 0.00 N ATOM 1377 CA GLN A 94 0.251 5.112 8.052 1.00 0.00 C ATOM 1378 C GLN A 94 1.338 6.176 8.088 1.00 0.00 C ATOM 1379 O GLN A 94 2.105 6.280 9.044 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.768 5.323 9.178 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.198 5.184 10.580 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.249 5.352 11.663 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.292 6.113 11.371 1.00 0.00 O flip ATOM 1384 NE2 GLN A 94 -1.128 4.789 12.750 1.00 0.00 N flip ATOM 0 H GLN A 94 1.036 3.447 9.051 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.280 5.207 7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.204 6.316 9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.579 4.604 9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.268 4.204 10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.587 5.927 10.723 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.309 4.211 12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.847 4.901 13.465 1.00 0.00 H new ATOM 1393 N GLN A 95 1.416 6.942 7.020 1.00 0.00 N ATOM 1394 CA GLN A 95 2.351 8.041 6.927 1.00 0.00 C ATOM 1395 C GLN A 95 1.593 9.313 6.585 1.00 0.00 C ATOM 1396 O GLN A 95 0.812 9.342 5.637 1.00 0.00 O ATOM 1397 CB GLN A 95 3.410 7.753 5.860 1.00 0.00 C ATOM 1398 CG GLN A 95 4.837 7.737 6.394 1.00 0.00 C ATOM 1399 CD GLN A 95 5.252 9.036 7.068 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.681 10.153 6.639 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.085 9.035 7.974 1.00 0.00 N flip ATOM 0 H GLN A 95 0.832 6.819 6.192 1.00 0.00 H new ATOM 0 HA GLN A 95 2.857 8.165 7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.194 6.789 5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.335 8.506 5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.940 6.919 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.521 7.530 5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.505 8.157 8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.355 9.912 8.419 1.00 0.00 H new ATOM 1410 N GLU A 96 1.800 10.350 7.372 1.00 0.00 N ATOM 1411 CA GLU A 96 1.132 11.616 7.144 1.00 0.00 C ATOM 1412 C GLU A 96 1.928 12.465 6.175 1.00 0.00 C ATOM 1413 O GLU A 96 3.151 12.566 6.273 1.00 0.00 O ATOM 1414 CB GLU A 96 0.926 12.362 8.461 1.00 0.00 C ATOM 1415 CG GLU A 96 0.371 13.765 8.293 1.00 0.00 C ATOM 1416 CD GLU A 96 0.226 14.484 9.612 1.00 0.00 C ATOM 1417 OE1 GLU A 96 1.253 14.699 10.287 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -0.915 14.831 9.987 1.00 0.00 O ATOM 0 H GLU A 96 2.427 10.341 8.177 1.00 0.00 H new ATOM 0 HA GLU A 96 0.154 11.414 6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.248 11.787 9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.879 12.419 8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.029 14.338 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.600 13.713 7.801 1.00 0.00 H new ATOM 1425 N THR A 97 1.225 13.051 5.231 1.00 0.00 N ATOM 1426 CA THR A 97 1.832 13.891 4.226 1.00 0.00 C ATOM 1427 C THR A 97 2.336 15.190 4.843 1.00 0.00 C ATOM 1428 O THR A 97 1.563 15.965 5.408 1.00 0.00 O ATOM 1429 CB THR A 97 0.810 14.199 3.127 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.383 14.709 3.728 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.478 12.946 2.334 1.00 0.00 C ATOM 0 H THR A 97 0.213 12.957 5.140 1.00 0.00 H new ATOM 0 HA THR A 97 2.682 13.361 3.795 1.00 0.00 H new ATOM 0 HB THR A 97 1.236 14.937 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.130 14.617 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.249 13.188 1.559 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.385 12.557 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.060 12.193 3.002 1.00 0.00 H new ATOM 1439 N THR A 98 3.636 15.419 4.735 1.00 0.00 N ATOM 1440 CA THR A 98 4.252 16.609 5.296 1.00 0.00 C ATOM 1441 C THR A 98 3.809 17.845 4.522 1.00 0.00 C ATOM 1442 O THR A 98 3.678 18.937 5.076 1.00 0.00 O ATOM 1443 CB THR A 98 5.784 16.494 5.236 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.192 15.203 5.713 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.448 17.580 6.067 1.00 0.00 C ATOM 0 H THR A 98 4.286 14.792 4.261 1.00 0.00 H new ATOM 0 HA THR A 98 3.938 16.702 6.336 1.00 0.00 H new ATOM 0 HB THR A 98 6.095 16.618 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.169 15.133 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.531 17.474 6.006 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.157 18.559 5.686 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.132 17.487 7.106 1.00 0.00 H new