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 62 ASN : amide:sc= -0.0567 K(o=-0.047,f=-3!) USER MOD Set 1.2: A 63 SER OG : rot -77:sc= 0.00977 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.43 K(o=-1.4,f=-6!) USER MOD Single : A 24 THR OG1 : rot -74:sc= 1.21 USER MOD Single : A 25 SER OG : rot 180:sc= -0.514 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 40 TYR OH : rot 90:sc= -3.82! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.94! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -29:sc= 0.348 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 56 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.09) USER MOD Single : A 60 THR OG1 : rot -29:sc= 0.894 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=0.9) USER MOD Single : A 74 GLN : amide:sc= -3.75 K(o=-3.8,f=-5.2!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 76 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.199 USER MOD Single : A 85 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.34) USER MOD Single : A 86 GLN : amide:sc= -0.235 K(o=-0.23,f=-0.98) USER MOD Single : A 88 SER OG : rot -167:sc= -0.143 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.98! C(o=-3!,f=-2.1!) USER MOD Single : A 95 GLN : amide:sc= -0.935 K(o=-0.94,f=-0.071) USER MOD Single : A 97 THR OG1 : rot -153:sc= 2.18 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0028 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.233 -12.027 3.957 1.00 0.00 N ATOM 142 CA ALA A 12 2.316 -10.639 3.540 1.00 0.00 C ATOM 143 C ALA A 12 3.717 -10.098 3.786 1.00 0.00 C ATOM 144 O ALA A 12 4.467 -10.660 4.586 1.00 0.00 O ATOM 145 CB ALA A 12 1.304 -9.817 4.309 1.00 0.00 C ATOM 0 HA ALA A 12 2.099 -10.575 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.367 -8.775 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.301 -10.196 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.514 -9.888 5.376 1.00 0.00 H new ATOM 151 N PRO A 13 4.096 -9.007 3.102 1.00 0.00 N ATOM 152 CA PRO A 13 5.374 -8.340 3.335 1.00 0.00 C ATOM 153 C PRO A 13 5.415 -7.662 4.701 1.00 0.00 C ATOM 154 O PRO A 13 4.462 -6.981 5.091 1.00 0.00 O ATOM 155 CB PRO A 13 5.440 -7.280 2.226 1.00 0.00 C ATOM 156 CG PRO A 13 4.405 -7.683 1.237 1.00 0.00 C ATOM 157 CD PRO A 13 3.329 -8.337 2.040 1.00 0.00 C ATOM 0 HA PRO A 13 6.208 -9.042 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.240 -6.284 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.429 -7.249 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.021 -6.819 0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.815 -8.369 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.624 -7.610 2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.752 -9.046 1.446 1.00 0.00 H new ATOM 165 N PRO A 14 6.508 -7.860 5.458 1.00 0.00 N ATOM 166 CA PRO A 14 6.729 -7.145 6.714 1.00 0.00 C ATOM 167 C PRO A 14 6.653 -5.642 6.504 1.00 0.00 C ATOM 168 O PRO A 14 6.918 -5.160 5.399 1.00 0.00 O ATOM 169 CB PRO A 14 8.142 -7.559 7.127 1.00 0.00 C ATOM 170 CG PRO A 14 8.366 -8.866 6.452 1.00 0.00 C ATOM 171 CD PRO A 14 7.597 -8.805 5.160 1.00 0.00 C ATOM 0 HA PRO A 14 5.979 -7.383 7.468 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.879 -6.820 6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.226 -7.653 8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.427 -9.032 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.018 -9.691 7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.220 -8.454 4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.213 -9.784 4.874 1.00 0.00 H new ATOM 179 N ASP A 15 6.306 -4.929 7.579 1.00 0.00 N ATOM 180 CA ASP A 15 6.017 -3.490 7.539 1.00 0.00 C ATOM 181 C ASP A 15 6.917 -2.741 6.556 1.00 0.00 C ATOM 182 O ASP A 15 8.114 -2.570 6.780 1.00 0.00 O ATOM 183 CB ASP A 15 6.139 -2.881 8.945 1.00 0.00 C ATOM 184 CG ASP A 15 7.534 -3.003 9.536 1.00 0.00 C ATOM 185 OD1 ASP A 15 7.907 -4.115 9.973 1.00 0.00 O ATOM 186 OD2 ASP A 15 8.264 -1.987 9.573 1.00 0.00 O ATOM 0 H ASP A 15 6.217 -5.336 8.510 1.00 0.00 H new ATOM 0 HA ASP A 15 4.992 -3.379 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.861 -1.828 8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.427 -3.372 9.609 1.00 0.00 H new ATOM 191 N PRO A 16 6.344 -2.321 5.422 1.00 0.00 N ATOM 192 CA PRO A 16 7.059 -1.548 4.403 1.00 0.00 C ATOM 193 C PRO A 16 7.449 -0.164 4.898 1.00 0.00 C ATOM 194 O PRO A 16 6.785 0.416 5.758 1.00 0.00 O ATOM 195 CB PRO A 16 6.049 -1.450 3.246 1.00 0.00 C ATOM 196 CG PRO A 16 5.084 -2.546 3.517 1.00 0.00 C ATOM 197 CD PRO A 16 4.962 -2.597 5.009 1.00 0.00 C ATOM 0 HA PRO A 16 7.999 -2.020 4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.555 -0.479 3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.536 -1.577 2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.120 -2.347 3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.443 -3.495 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.263 -1.852 5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.615 -3.569 5.360 1.00 0.00 H new ATOM 205 N THR A 17 8.535 0.346 4.356 1.00 0.00 N ATOM 206 CA THR A 17 9.048 1.648 4.737 1.00 0.00 C ATOM 207 C THR A 17 8.796 2.666 3.648 1.00 0.00 C ATOM 208 O THR A 17 9.072 2.433 2.471 1.00 0.00 O ATOM 209 CB THR A 17 10.557 1.577 5.048 1.00 0.00 C ATOM 210 OG1 THR A 17 10.799 0.572 6.044 1.00 0.00 O ATOM 211 CG2 THR A 17 11.081 2.918 5.540 1.00 0.00 C ATOM 0 H THR A 17 9.087 -0.128 3.641 1.00 0.00 H new ATOM 0 HA THR A 17 8.520 1.960 5.638 1.00 0.00 H new ATOM 0 HB THR A 17 11.082 1.321 4.128 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.759 0.528 6.238 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.147 2.837 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.920 3.675 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.552 3.204 6.449 1.00 0.00 H new ATOM 219 N VAL A 18 8.220 3.772 4.059 1.00 0.00 N ATOM 220 CA VAL A 18 8.022 4.913 3.180 1.00 0.00 C ATOM 221 C VAL A 18 9.338 5.667 3.003 1.00 0.00 C ATOM 222 O VAL A 18 9.965 6.093 3.974 1.00 0.00 O ATOM 223 CB VAL A 18 6.927 5.862 3.714 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.859 7.138 2.881 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.576 5.160 3.729 1.00 0.00 C ATOM 0 H VAL A 18 7.875 3.911 5.009 1.00 0.00 H new ATOM 0 HA VAL A 18 7.687 4.538 2.213 1.00 0.00 H new ATOM 0 HB VAL A 18 7.185 6.139 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.080 7.790 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.819 7.652 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.629 6.885 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.815 5.843 4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.315 4.852 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.629 4.282 4.373 1.00 0.00 H new ATOM 235 N ASP A 19 9.751 5.809 1.753 1.00 0.00 N ATOM 236 CA ASP A 19 11.039 6.405 1.418 1.00 0.00 C ATOM 237 C ASP A 19 10.914 7.909 1.197 1.00 0.00 C ATOM 238 O ASP A 19 11.793 8.678 1.584 1.00 0.00 O ATOM 239 CB ASP A 19 11.603 5.731 0.164 1.00 0.00 C ATOM 240 CG ASP A 19 12.902 6.352 -0.307 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.837 6.483 0.507 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.996 6.703 -1.500 1.00 0.00 O ATOM 0 H ASP A 19 9.206 5.516 0.942 1.00 0.00 H new ATOM 0 HA ASP A 19 11.720 6.249 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.766 4.673 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.866 5.791 -0.637 1.00 0.00 H new ATOM 247 N GLN A 20 9.812 8.326 0.591 1.00 0.00 N ATOM 248 CA GLN A 20 9.588 9.735 0.295 1.00 0.00 C ATOM 249 C GLN A 20 8.167 10.137 0.636 1.00 0.00 C ATOM 250 O GLN A 20 7.213 9.439 0.289 1.00 0.00 O ATOM 251 CB GLN A 20 9.877 10.036 -1.179 1.00 0.00 C ATOM 252 CG GLN A 20 11.359 10.120 -1.509 1.00 0.00 C ATOM 253 CD GLN A 20 12.030 11.336 -0.893 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.617 11.830 0.156 1.00 0.00 O ATOM 255 NE2 GLN A 20 13.066 11.831 -1.544 1.00 0.00 N ATOM 0 H GLN A 20 9.057 7.708 0.294 1.00 0.00 H new ATOM 0 HA GLN A 20 10.274 10.317 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.421 9.261 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.400 10.979 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.857 9.217 -1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.485 10.150 -2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.380 11.394 -2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.553 12.650 -1.180 1.00 0.00 H new ATOM 264 N VAL A 21 8.036 11.255 1.331 1.00 0.00 N ATOM 265 CA VAL A 21 6.735 11.768 1.723 1.00 0.00 C ATOM 266 C VAL A 21 6.553 13.195 1.219 1.00 0.00 C ATOM 267 O VAL A 21 7.328 14.086 1.566 1.00 0.00 O ATOM 268 CB VAL A 21 6.554 11.753 3.257 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.158 12.215 3.638 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.834 10.373 3.826 1.00 0.00 C ATOM 0 H VAL A 21 8.822 11.828 1.637 1.00 0.00 H new ATOM 0 HA VAL A 21 5.985 11.116 1.276 1.00 0.00 H new ATOM 0 HB VAL A 21 7.276 12.448 3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.052 12.197 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.999 13.230 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.420 11.550 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.699 10.391 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.145 9.652 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.859 10.084 3.593 1.00 0.00 H new ATOM 280 N ASP A 22 5.537 13.406 0.397 1.00 0.00 N ATOM 281 CA ASP A 22 5.241 14.731 -0.134 1.00 0.00 C ATOM 282 C ASP A 22 3.779 15.082 0.126 1.00 0.00 C ATOM 283 O ASP A 22 3.152 14.509 1.018 1.00 0.00 O ATOM 284 CB ASP A 22 5.541 14.787 -1.639 1.00 0.00 C ATOM 285 CG ASP A 22 7.008 14.559 -1.959 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.414 13.389 -2.114 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.761 15.549 -2.068 1.00 0.00 O ATOM 0 H ASP A 22 4.900 12.675 0.081 1.00 0.00 H new ATOM 0 HA ASP A 22 5.876 15.459 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.941 14.035 -2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.236 15.758 -2.029 1.00 0.00 H new ATOM 292 N ASP A 23 3.251 16.038 -0.629 1.00 0.00 N ATOM 293 CA ASP A 23 1.861 16.457 -0.496 1.00 0.00 C ATOM 294 C ASP A 23 0.890 15.438 -1.089 1.00 0.00 C ATOM 295 O ASP A 23 0.185 14.740 -0.365 1.00 0.00 O ATOM 296 CB ASP A 23 1.661 17.825 -1.162 1.00 0.00 C ATOM 297 CG ASP A 23 2.310 17.928 -2.532 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.513 18.248 -2.595 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.624 17.690 -3.550 1.00 0.00 O ATOM 0 H ASP A 23 3.771 16.542 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 23 1.642 16.531 0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.593 18.022 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.071 18.600 -0.514 1.00 0.00 H new ATOM 304 N THR A 24 0.865 15.362 -2.402 1.00 0.00 N ATOM 305 CA THR A 24 -0.086 14.540 -3.124 1.00 0.00 C ATOM 306 C THR A 24 0.605 13.291 -3.673 1.00 0.00 C ATOM 307 O THR A 24 0.244 12.778 -4.727 1.00 0.00 O ATOM 308 CB THR A 24 -0.696 15.369 -4.268 1.00 0.00 C ATOM 309 OG1 THR A 24 0.342 15.852 -5.135 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.458 16.556 -3.701 1.00 0.00 C ATOM 0 H THR A 24 1.509 15.873 -3.005 1.00 0.00 H new ATOM 0 HA THR A 24 -0.880 14.218 -2.450 1.00 0.00 H new ATOM 0 HB THR A 24 -1.377 14.732 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.822 16.584 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.886 17.137 -4.518 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.257 16.199 -3.052 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.777 17.184 -3.127 1.00 0.00 H new ATOM 318 N SER A 25 1.585 12.800 -2.922 1.00 0.00 N ATOM 319 CA SER A 25 2.434 11.699 -3.361 1.00 0.00 C ATOM 320 C SER A 25 3.293 11.186 -2.201 1.00 0.00 C ATOM 321 O SER A 25 3.830 11.972 -1.421 1.00 0.00 O ATOM 322 CB SER A 25 3.323 12.139 -4.534 1.00 0.00 C ATOM 323 OG SER A 25 4.123 13.260 -4.187 1.00 0.00 O ATOM 0 H SER A 25 1.813 13.154 -1.993 1.00 0.00 H new ATOM 0 HA SER A 25 1.793 10.886 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.965 11.312 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.699 12.388 -5.392 1.00 0.00 H new ATOM 0 HG SER A 25 4.679 13.515 -4.953 1.00 0.00 H new ATOM 329 N ILE A 26 3.401 9.869 -2.086 1.00 0.00 N ATOM 330 CA ILE A 26 4.213 9.224 -1.038 1.00 0.00 C ATOM 331 C ILE A 26 4.720 7.885 -1.565 1.00 0.00 C ATOM 332 O ILE A 26 4.022 7.239 -2.316 1.00 0.00 O ATOM 333 CB ILE A 26 3.400 8.995 0.274 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.197 10.306 1.037 1.00 0.00 C ATOM 335 CG2 ILE A 26 4.071 7.973 1.179 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.393 10.147 2.312 1.00 0.00 C ATOM 0 H ILE A 26 2.934 9.211 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 26 5.045 9.885 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 26 2.426 8.606 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.171 10.729 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.694 11.021 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.476 7.840 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.152 7.021 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.067 8.325 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.289 11.116 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.405 9.754 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.906 9.457 2.982 1.00 0.00 H new ATOM 348 N VAL A 27 5.915 7.454 -1.193 1.00 0.00 N ATOM 349 CA VAL A 27 6.447 6.222 -1.754 1.00 0.00 C ATOM 350 C VAL A 27 6.677 5.200 -0.663 1.00 0.00 C ATOM 351 O VAL A 27 7.286 5.514 0.350 1.00 0.00 O ATOM 352 CB VAL A 27 7.773 6.448 -2.486 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.222 5.154 -3.147 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.645 7.566 -3.507 1.00 0.00 C ATOM 0 H VAL A 27 6.522 7.925 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 27 5.707 5.860 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 27 8.528 6.751 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.166 5.319 -3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.356 4.385 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.466 4.829 -3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.600 7.707 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.881 7.304 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.362 8.490 -3.002 1.00 0.00 H new ATOM 364 N VAL A 28 6.216 3.978 -0.871 1.00 0.00 N ATOM 365 CA VAL A 28 6.361 2.953 0.144 1.00 0.00 C ATOM 366 C VAL A 28 7.017 1.712 -0.450 1.00 0.00 C ATOM 367 O VAL A 28 6.808 1.402 -1.620 1.00 0.00 O ATOM 368 CB VAL A 28 5.006 2.587 0.797 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.992 3.697 0.643 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.462 1.281 0.269 1.00 0.00 C ATOM 0 H VAL A 28 5.744 3.676 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 28 7.001 3.357 0.929 1.00 0.00 H new ATOM 0 HB VAL A 28 5.196 2.458 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.055 3.401 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.368 4.602 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.821 3.889 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.510 1.061 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.312 1.358 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.170 0.480 0.480 1.00 0.00 H new ATOM 380 N ARG A 29 7.812 1.017 0.357 1.00 0.00 N ATOM 381 CA ARG A 29 8.572 -0.142 -0.111 1.00 0.00 C ATOM 382 C ARG A 29 8.377 -1.322 0.826 1.00 0.00 C ATOM 383 O ARG A 29 8.720 -1.252 2.003 1.00 0.00 O ATOM 384 CB ARG A 29 10.066 0.187 -0.193 1.00 0.00 C ATOM 385 CG ARG A 29 10.381 1.538 -0.820 1.00 0.00 C ATOM 386 CD ARG A 29 11.878 1.805 -0.836 1.00 0.00 C ATOM 387 NE ARG A 29 12.478 1.627 0.487 1.00 0.00 N ATOM 388 CZ ARG A 29 13.539 2.303 0.929 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.115 3.225 0.167 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.030 2.046 2.134 1.00 0.00 N ATOM 0 H ARG A 29 7.949 1.236 1.344 1.00 0.00 H new ATOM 0 HA ARG A 29 8.204 -0.401 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.487 0.160 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.566 -0.592 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.993 1.568 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.875 2.327 -0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.359 1.133 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.062 2.821 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 29 12.057 0.940 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.746 3.421 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.926 3.738 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.596 1.333 2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.842 2.562 2.475 1.00 0.00 H new ATOM 404 N TRP A 30 7.875 -2.412 0.274 1.00 0.00 N ATOM 405 CA TRP A 30 7.539 -3.602 1.050 1.00 0.00 C ATOM 406 C TRP A 30 8.470 -4.762 0.708 1.00 0.00 C ATOM 407 O TRP A 30 8.928 -4.893 -0.430 1.00 0.00 O ATOM 408 CB TRP A 30 6.072 -4.003 0.806 1.00 0.00 C ATOM 409 CG TRP A 30 5.722 -4.185 -0.632 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.899 -5.304 -1.370 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.103 -3.234 -1.489 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.472 -5.099 -2.654 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.963 -3.840 -2.749 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.659 -1.929 -1.320 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.396 -3.185 -3.829 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.091 -1.284 -2.393 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.963 -1.909 -3.629 1.00 0.00 C ATOM 0 H TRP A 30 7.687 -2.502 -0.725 1.00 0.00 H new ATOM 0 HA TRP A 30 7.669 -3.365 2.106 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.867 -4.931 1.339 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.422 -3.240 1.233 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.318 -6.228 -0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.526 -5.777 -3.414 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.758 -1.432 -0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.301 -3.666 -4.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.737 -0.271 -2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.510 -1.371 -4.448 1.00 0.00 H new ATOM 428 N SER A 31 8.757 -5.593 1.701 1.00 0.00 N ATOM 429 CA SER A 31 9.588 -6.768 1.502 1.00 0.00 C ATOM 430 C SER A 31 8.712 -7.977 1.184 1.00 0.00 C ATOM 431 O SER A 31 8.141 -8.599 2.076 1.00 0.00 O ATOM 432 CB SER A 31 10.438 -7.029 2.747 1.00 0.00 C ATOM 433 OG SER A 31 11.361 -8.084 2.531 1.00 0.00 O ATOM 0 H SER A 31 8.423 -5.472 2.657 1.00 0.00 H new ATOM 0 HA SER A 31 10.258 -6.593 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.977 -6.121 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.789 -7.277 3.587 1.00 0.00 H new ATOM 0 HG SER A 31 11.891 -8.227 3.343 1.00 0.00 H new ATOM 439 N ARG A 32 8.620 -8.281 -0.100 1.00 0.00 N ATOM 440 CA ARG A 32 7.741 -9.321 -0.627 1.00 0.00 C ATOM 441 C ARG A 32 7.940 -10.685 0.055 1.00 0.00 C ATOM 442 O ARG A 32 8.979 -10.952 0.663 1.00 0.00 O ATOM 443 CB ARG A 32 7.970 -9.459 -2.133 1.00 0.00 C ATOM 444 CG ARG A 32 8.043 -8.126 -2.861 1.00 0.00 C ATOM 445 CD ARG A 32 9.450 -7.549 -2.860 1.00 0.00 C ATOM 446 NE ARG A 32 9.973 -7.376 -4.212 1.00 0.00 N ATOM 447 CZ ARG A 32 11.270 -7.281 -4.503 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.180 -7.349 -3.539 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.656 -7.114 -5.761 1.00 0.00 N ATOM 0 H ARG A 32 9.162 -7.806 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 32 6.717 -9.013 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.896 -10.008 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.164 -10.054 -2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.706 -8.256 -3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.361 -7.418 -2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.447 -6.587 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.111 -8.208 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 32 9.305 -7.325 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.888 -7.475 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.171 -7.276 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.960 -7.058 -6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.649 -7.041 -5.985 1.00 0.00 H new ATOM 463 N PRO A 33 6.928 -11.569 -0.064 1.00 0.00 N ATOM 464 CA PRO A 33 6.910 -12.888 0.561 1.00 0.00 C ATOM 465 C PRO A 33 7.627 -13.935 -0.280 1.00 0.00 C ATOM 466 O PRO A 33 7.880 -13.733 -1.468 1.00 0.00 O ATOM 467 CB PRO A 33 5.404 -13.227 0.627 1.00 0.00 C ATOM 468 CG PRO A 33 4.687 -12.071 0.003 1.00 0.00 C ATOM 469 CD PRO A 33 5.703 -11.362 -0.829 1.00 0.00 C ATOM 0 HA PRO A 33 7.416 -12.884 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.190 -14.152 0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.083 -13.373 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.851 -12.413 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.275 -11.409 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.773 -11.783 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.469 -10.304 -0.943 1.00 0.00 H new ATOM 477 N GLN A 34 7.952 -15.055 0.351 1.00 0.00 N ATOM 478 CA GLN A 34 8.486 -16.211 -0.356 1.00 0.00 C ATOM 479 C GLN A 34 7.337 -17.013 -0.951 1.00 0.00 C ATOM 480 O GLN A 34 7.544 -17.983 -1.679 1.00 0.00 O ATOM 481 CB GLN A 34 9.307 -17.084 0.586 1.00 0.00 C ATOM 482 CG GLN A 34 10.447 -16.341 1.259 1.00 0.00 C ATOM 483 CD GLN A 34 11.194 -17.194 2.263 1.00 0.00 C ATOM 484 OE1 GLN A 34 11.277 -18.413 2.123 1.00 0.00 O ATOM 485 NE2 GLN A 34 11.739 -16.559 3.286 1.00 0.00 N ATOM 0 H GLN A 34 7.854 -15.188 1.358 1.00 0.00 H new ATOM 0 HA GLN A 34 9.141 -15.867 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.650 -17.496 1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.713 -17.927 0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.144 -15.989 0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.052 -15.458 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.647 -15.546 3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.252 -17.082 3.996 1.00 0.00 H new ATOM 494 N ALA A 35 6.122 -16.599 -0.608 1.00 0.00 N ATOM 495 CA ALA A 35 4.911 -17.172 -1.172 1.00 0.00 C ATOM 496 C ALA A 35 4.807 -16.863 -2.654 1.00 0.00 C ATOM 497 O ALA A 35 5.246 -15.800 -3.098 1.00 0.00 O ATOM 498 CB ALA A 35 3.695 -16.597 -0.472 1.00 0.00 C ATOM 0 H ALA A 35 5.952 -15.856 0.070 1.00 0.00 H new ATOM 0 HA ALA A 35 4.952 -18.252 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.791 -17.030 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.743 -16.832 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.677 -15.515 -0.604 1.00 0.00 H new ATOM 504 N PRO A 36 4.230 -17.773 -3.447 1.00 0.00 N ATOM 505 CA PRO A 36 3.905 -17.468 -4.825 1.00 0.00 C ATOM 506 C PRO A 36 2.695 -16.549 -4.879 1.00 0.00 C ATOM 507 O PRO A 36 1.589 -16.939 -4.514 1.00 0.00 O ATOM 508 CB PRO A 36 3.572 -18.834 -5.449 1.00 0.00 C ATOM 509 CG PRO A 36 3.889 -19.856 -4.404 1.00 0.00 C ATOM 510 CD PRO A 36 3.862 -19.144 -3.082 1.00 0.00 C ATOM 0 HA PRO A 36 4.715 -16.960 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.522 -18.885 -5.738 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.160 -19.004 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.161 -20.667 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.867 -20.302 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.877 -19.189 -2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.568 -19.578 -2.374 1.00 0.00 H new ATOM 518 N ILE A 37 2.912 -15.337 -5.345 1.00 0.00 N ATOM 519 CA ILE A 37 1.869 -14.330 -5.407 1.00 0.00 C ATOM 520 C ILE A 37 1.688 -13.894 -6.863 1.00 0.00 C ATOM 521 O ILE A 37 2.639 -13.929 -7.642 1.00 0.00 O ATOM 522 CB ILE A 37 2.233 -13.109 -4.513 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.561 -12.512 -4.982 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.294 -13.485 -3.018 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.340 -11.811 -3.899 1.00 0.00 C ATOM 0 H ILE A 37 3.817 -15.020 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 37 0.935 -14.750 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 37 1.445 -12.363 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.177 -13.308 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.364 -11.805 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.551 -12.603 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.323 -13.863 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.051 -14.255 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.267 -11.417 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.746 -10.991 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.571 -12.517 -3.102 1.00 0.00 H new ATOM 537 N THR A 38 0.467 -13.537 -7.243 1.00 0.00 N ATOM 538 CA THR A 38 0.177 -13.139 -8.617 1.00 0.00 C ATOM 539 C THR A 38 0.375 -11.648 -8.852 1.00 0.00 C ATOM 540 O THR A 38 0.700 -11.230 -9.965 1.00 0.00 O ATOM 541 CB THR A 38 -1.253 -13.520 -9.029 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.195 -13.064 -8.051 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.374 -15.010 -9.211 1.00 0.00 C ATOM 0 H THR A 38 -0.340 -13.515 -6.619 1.00 0.00 H new ATOM 0 HA THR A 38 0.892 -13.684 -9.233 1.00 0.00 H new ATOM 0 HB THR A 38 -1.474 -13.035 -9.980 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.101 -13.313 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.394 -15.259 -9.503 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.684 -15.339 -9.988 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.132 -15.512 -8.274 1.00 0.00 H new ATOM 551 N GLY A 39 0.164 -10.839 -7.827 1.00 0.00 N ATOM 552 CA GLY A 39 0.320 -9.412 -7.986 1.00 0.00 C ATOM 553 C GLY A 39 0.247 -8.700 -6.669 1.00 0.00 C ATOM 554 O GLY A 39 0.408 -9.330 -5.638 1.00 0.00 O ATOM 0 H GLY A 39 -0.111 -11.144 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.277 -9.201 -8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.457 -9.032 -8.650 1.00 0.00 H new ATOM 558 N TYR A 40 0.015 -7.397 -6.702 1.00 0.00 N ATOM 559 CA TYR A 40 -0.210 -6.613 -5.495 1.00 0.00 C ATOM 560 C TYR A 40 -1.304 -5.586 -5.706 1.00 0.00 C ATOM 561 O TYR A 40 -1.313 -4.874 -6.712 1.00 0.00 O ATOM 562 CB TYR A 40 1.051 -5.867 -5.060 1.00 0.00 C ATOM 563 CG TYR A 40 1.989 -6.675 -4.198 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.485 -7.891 -4.625 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.376 -6.216 -2.953 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.344 -8.622 -3.845 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.239 -6.942 -2.167 1.00 0.00 C ATOM 568 CZ TYR A 40 3.722 -8.142 -2.620 1.00 0.00 C ATOM 569 OH TYR A 40 4.588 -8.864 -1.845 1.00 0.00 O ATOM 0 H TYR A 40 -0.023 -6.853 -7.564 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.502 -7.324 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.588 -5.537 -5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.758 -4.970 -4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.191 -8.273 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.994 -5.272 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.720 -9.572 -4.195 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.535 -6.569 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 40 5.509 -8.601 -2.052 1.00 0.00 H new ATOM 579 N ARG A 41 -2.227 -5.521 -4.764 1.00 0.00 N ATOM 580 CA ARG A 41 -3.175 -4.420 -4.713 1.00 0.00 C ATOM 581 C ARG A 41 -2.714 -3.443 -3.665 1.00 0.00 C ATOM 582 O ARG A 41 -2.094 -3.838 -2.694 1.00 0.00 O ATOM 583 CB ARG A 41 -4.560 -4.895 -4.349 1.00 0.00 C ATOM 584 CG ARG A 41 -4.896 -6.247 -4.937 1.00 0.00 C ATOM 585 CD ARG A 41 -5.172 -6.173 -6.430 1.00 0.00 C ATOM 586 NE ARG A 41 -6.326 -5.326 -6.735 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.313 -5.668 -7.562 1.00 0.00 C ATOM 588 NH1 ARG A 41 -7.298 -6.838 -8.191 1.00 0.00 N ATOM 589 NH2 ARG A 41 -8.315 -4.825 -7.759 1.00 0.00 N ATOM 0 H ARG A 41 -2.341 -6.215 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.219 -3.958 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.647 -4.946 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.291 -4.164 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.070 -6.935 -4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.769 -6.656 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.292 -5.784 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.348 -7.177 -6.816 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.378 -4.413 -6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.525 -7.487 -8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.060 -7.088 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.326 -3.925 -7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.076 -5.076 -8.390 1.00 0.00 H new ATOM 603 N ILE A 42 -2.972 -2.180 -3.861 1.00 0.00 N ATOM 604 CA ILE A 42 -2.518 -1.187 -2.896 1.00 0.00 C ATOM 605 C ILE A 42 -3.563 -0.129 -2.626 1.00 0.00 C ATOM 606 O ILE A 42 -3.768 0.748 -3.443 1.00 0.00 O ATOM 607 CB ILE A 42 -1.228 -0.514 -3.389 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.228 -1.576 -3.824 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.633 0.367 -2.300 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.944 -1.034 -4.587 1.00 0.00 C ATOM 0 H ILE A 42 -3.484 -1.807 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.329 -1.717 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.465 0.120 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.137 -2.100 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.742 -2.313 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.280 0.835 -2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.351 1.140 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.401 -0.241 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.610 -1.852 -4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.591 -0.536 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.484 -0.320 -3.965 1.00 0.00 H new ATOM 622 N VAL A 43 -4.160 -0.169 -1.447 1.00 0.00 N ATOM 623 CA VAL A 43 -5.207 0.781 -1.108 1.00 0.00 C ATOM 624 C VAL A 43 -4.728 1.753 -0.047 1.00 0.00 C ATOM 625 O VAL A 43 -4.498 1.378 1.098 1.00 0.00 O ATOM 626 CB VAL A 43 -6.494 0.092 -0.610 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.509 1.122 -0.171 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.082 -0.800 -1.686 1.00 0.00 C ATOM 0 H VAL A 43 -3.941 -0.843 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.442 1.316 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.234 -0.531 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.411 0.619 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.092 1.721 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.757 1.770 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.989 -1.274 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.323 -0.201 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.357 -1.567 -1.959 1.00 0.00 H new ATOM 638 N TYR A 44 -4.571 2.997 -0.438 1.00 0.00 N ATOM 639 CA TYR A 44 -4.175 4.038 0.478 1.00 0.00 C ATOM 640 C TYR A 44 -5.281 5.051 0.619 1.00 0.00 C ATOM 641 O TYR A 44 -5.805 5.581 -0.379 1.00 0.00 O ATOM 642 CB TYR A 44 -2.854 4.692 0.057 1.00 0.00 C ATOM 643 CG TYR A 44 -2.649 4.787 -1.437 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.340 3.656 -2.180 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.747 6.000 -2.101 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.136 3.723 -3.537 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.548 6.080 -3.462 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.241 4.941 -4.175 1.00 0.00 C ATOM 649 OH TYR A 44 -2.037 5.026 -5.527 1.00 0.00 O ATOM 0 H TYR A 44 -4.714 3.313 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.999 3.587 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.808 5.695 0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.029 4.125 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.258 2.702 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.983 6.895 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.896 2.832 -4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.632 7.031 -3.968 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.150 5.955 -5.817 1.00 0.00 H new ATOM 659 N SER A 45 -5.645 5.271 1.871 1.00 0.00 N ATOM 660 CA SER A 45 -6.769 6.126 2.222 1.00 0.00 C ATOM 661 C SER A 45 -6.416 7.086 3.360 1.00 0.00 C ATOM 662 O SER A 45 -5.774 6.707 4.336 1.00 0.00 O ATOM 663 CB SER A 45 -7.967 5.260 2.618 1.00 0.00 C ATOM 664 OG SER A 45 -7.608 4.313 3.615 1.00 0.00 O ATOM 0 H SER A 45 -5.169 4.862 2.675 1.00 0.00 H new ATOM 0 HA SER A 45 -7.021 6.729 1.350 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.772 5.895 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.350 4.740 1.740 1.00 0.00 H new ATOM 0 HG SER A 45 -8.391 3.774 3.851 1.00 0.00 H new ATOM 670 N PRO A 46 -6.843 8.348 3.236 1.00 0.00 N ATOM 671 CA PRO A 46 -6.619 9.383 4.247 1.00 0.00 C ATOM 672 C PRO A 46 -7.619 9.286 5.392 1.00 0.00 C ATOM 673 O PRO A 46 -8.826 9.205 5.174 1.00 0.00 O ATOM 674 CB PRO A 46 -6.833 10.666 3.459 1.00 0.00 C ATOM 675 CG PRO A 46 -7.835 10.308 2.422 1.00 0.00 C ATOM 676 CD PRO A 46 -7.602 8.863 2.087 1.00 0.00 C ATOM 0 HA PRO A 46 -5.639 9.308 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.196 11.469 4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.903 11.014 3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.849 10.462 2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.720 10.935 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.542 8.327 1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.042 8.754 1.158 1.00 0.00 H new ATOM 744 N SER A 52 -8.546 8.566 -1.926 1.00 0.00 N ATOM 745 CA SER A 52 -8.000 7.221 -1.783 1.00 0.00 C ATOM 746 C SER A 52 -7.668 6.631 -3.137 1.00 0.00 C ATOM 747 O SER A 52 -8.309 6.962 -4.136 1.00 0.00 O ATOM 748 CB SER A 52 -8.971 6.319 -1.016 1.00 0.00 C ATOM 749 OG SER A 52 -10.311 6.538 -1.429 1.00 0.00 O ATOM 0 HA SER A 52 -7.077 7.287 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.705 5.274 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.881 6.510 0.053 1.00 0.00 H new ATOM 0 HG SER A 52 -10.411 7.462 -1.740 1.00 0.00 H new ATOM 755 N THR A 53 -6.657 5.785 -3.197 1.00 0.00 N ATOM 756 CA THR A 53 -6.316 5.150 -4.463 1.00 0.00 C ATOM 757 C THR A 53 -5.812 3.718 -4.264 1.00 0.00 C ATOM 758 O THR A 53 -5.220 3.397 -3.234 1.00 0.00 O ATOM 759 CB THR A 53 -5.273 5.989 -5.235 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.747 7.336 -5.383 1.00 0.00 O ATOM 761 CG2 THR A 53 -4.997 5.402 -6.609 1.00 0.00 C ATOM 0 H THR A 53 -6.068 5.524 -2.406 1.00 0.00 H new ATOM 0 HA THR A 53 -7.229 5.098 -5.055 1.00 0.00 H new ATOM 0 HB THR A 53 -4.345 5.979 -4.663 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.082 7.865 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.259 6.016 -7.125 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.613 4.388 -6.501 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.920 5.381 -7.188 1.00 0.00 H new ATOM 769 N GLU A 54 -6.096 2.864 -5.247 1.00 0.00 N ATOM 770 CA GLU A 54 -5.627 1.495 -5.266 1.00 0.00 C ATOM 771 C GLU A 54 -4.740 1.265 -6.487 1.00 0.00 C ATOM 772 O GLU A 54 -5.209 1.335 -7.624 1.00 0.00 O ATOM 773 CB GLU A 54 -6.813 0.527 -5.299 1.00 0.00 C ATOM 774 CG GLU A 54 -6.414 -0.938 -5.219 1.00 0.00 C ATOM 775 CD GLU A 54 -7.584 -1.871 -5.443 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.551 -1.827 -4.651 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.541 -2.657 -6.412 1.00 0.00 O ATOM 0 H GLU A 54 -6.664 3.114 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.048 1.312 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.481 0.758 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.377 0.690 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.643 -1.142 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.975 -1.139 -4.242 1.00 0.00 H new ATOM 784 N LEU A 55 -3.460 1.004 -6.259 1.00 0.00 N ATOM 785 CA LEU A 55 -2.556 0.698 -7.359 1.00 0.00 C ATOM 786 C LEU A 55 -2.384 -0.800 -7.497 1.00 0.00 C ATOM 787 O LEU A 55 -2.685 -1.560 -6.577 1.00 0.00 O ATOM 788 CB LEU A 55 -1.191 1.409 -7.228 1.00 0.00 C ATOM 789 CG LEU A 55 -1.267 2.927 -7.364 1.00 0.00 C ATOM 790 CD1 LEU A 55 0.105 3.534 -7.595 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.220 3.331 -8.484 1.00 0.00 C ATOM 0 H LEU A 55 -3.028 0.998 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.014 1.086 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.756 1.162 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.515 1.020 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.655 3.316 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.013 4.616 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.755 3.295 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.533 3.127 -8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.254 4.418 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.870 2.914 -9.428 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.218 2.950 -8.267 1.00 0.00 H new ATOM 803 N ASN A 56 -1.952 -1.217 -8.672 1.00 0.00 N ATOM 804 CA ASN A 56 -1.723 -2.620 -8.952 1.00 0.00 C ATOM 805 C ASN A 56 -0.294 -2.820 -9.405 1.00 0.00 C ATOM 806 O ASN A 56 0.100 -2.346 -10.473 1.00 0.00 O ATOM 807 CB ASN A 56 -2.686 -3.128 -10.025 1.00 0.00 C ATOM 808 CG ASN A 56 -4.078 -3.377 -9.486 1.00 0.00 C ATOM 809 OD1 ASN A 56 -4.904 -2.467 -9.415 1.00 0.00 O ATOM 810 ND2 ASN A 56 -4.353 -4.616 -9.117 1.00 0.00 N ATOM 0 H ASN A 56 -1.751 -0.595 -9.455 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.900 -3.189 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.739 -2.400 -10.835 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.295 -4.052 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.279 -4.847 -8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.639 -5.341 -9.192 1.00 0.00 H new ATOM 817 N LEU A 57 0.475 -3.518 -8.594 1.00 0.00 N ATOM 818 CA LEU A 57 1.877 -3.722 -8.875 1.00 0.00 C ATOM 819 C LEU A 57 2.102 -5.179 -9.195 1.00 0.00 C ATOM 820 O LEU A 57 1.310 -6.029 -8.804 1.00 0.00 O ATOM 821 CB LEU A 57 2.757 -3.287 -7.688 1.00 0.00 C ATOM 822 CG LEU A 57 2.823 -1.786 -7.410 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.188 -1.420 -6.873 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.510 -0.973 -8.644 1.00 0.00 C ATOM 0 H LEU A 57 0.148 -3.954 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 57 2.161 -3.107 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.392 -3.786 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.771 -3.648 -7.863 1.00 0.00 H new ATOM 0 HG LEU A 57 2.065 -1.551 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.227 -0.348 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.373 -1.965 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.950 -1.683 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.567 0.089 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.231 -1.208 -9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.505 -1.212 -8.992 1.00 0.00 H new ATOM 836 N PRO A 58 3.149 -5.486 -9.950 1.00 0.00 N ATOM 837 CA PRO A 58 3.498 -6.863 -10.240 1.00 0.00 C ATOM 838 C PRO A 58 3.922 -7.597 -8.972 1.00 0.00 C ATOM 839 O PRO A 58 4.424 -6.995 -8.025 1.00 0.00 O ATOM 840 CB PRO A 58 4.661 -6.756 -11.232 1.00 0.00 C ATOM 841 CG PRO A 58 5.188 -5.369 -11.091 1.00 0.00 C ATOM 842 CD PRO A 58 4.054 -4.520 -10.586 1.00 0.00 C ATOM 0 HA PRO A 58 2.659 -7.430 -10.644 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.433 -7.492 -11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.324 -6.945 -12.251 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.028 -5.344 -10.397 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.554 -4.996 -12.048 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.402 -3.770 -9.876 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.562 -3.986 -11.399 1.00 0.00 H new ATOM 850 N GLU A 59 3.666 -8.897 -8.975 1.00 0.00 N ATOM 851 CA GLU A 59 4.002 -9.814 -7.877 1.00 0.00 C ATOM 852 C GLU A 59 5.415 -9.608 -7.332 1.00 0.00 C ATOM 853 O GLU A 59 5.703 -9.932 -6.181 1.00 0.00 O ATOM 854 CB GLU A 59 3.884 -11.250 -8.384 1.00 0.00 C ATOM 855 CG GLU A 59 4.809 -11.548 -9.555 1.00 0.00 C ATOM 856 CD GLU A 59 4.810 -13.007 -9.953 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.509 -13.809 -9.295 1.00 0.00 O ATOM 858 OE2 GLU A 59 4.133 -13.358 -10.940 1.00 0.00 O ATOM 0 H GLU A 59 3.207 -9.363 -9.758 1.00 0.00 H new ATOM 0 HA GLU A 59 3.306 -9.610 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.108 -11.937 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.854 -11.439 -8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.508 -10.944 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.824 -11.248 -9.294 1.00 0.00 H new ATOM 865 N THR A 60 6.287 -9.082 -8.166 1.00 0.00 N ATOM 866 CA THR A 60 7.690 -8.944 -7.825 1.00 0.00 C ATOM 867 C THR A 60 8.041 -7.493 -7.471 1.00 0.00 C ATOM 868 O THR A 60 9.201 -7.169 -7.204 1.00 0.00 O ATOM 869 CB THR A 60 8.578 -9.458 -8.985 1.00 0.00 C ATOM 870 OG1 THR A 60 9.969 -9.260 -8.698 1.00 0.00 O ATOM 871 CG2 THR A 60 8.214 -8.773 -10.292 1.00 0.00 C ATOM 0 H THR A 60 6.046 -8.739 -9.096 1.00 0.00 H new ATOM 0 HA THR A 60 7.884 -9.552 -6.941 1.00 0.00 H new ATOM 0 HB THR A 60 8.395 -10.528 -9.089 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.075 -8.476 -8.120 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.852 -9.151 -11.091 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.171 -8.979 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.358 -7.697 -10.191 1.00 0.00 H new ATOM 879 N ALA A 61 7.031 -6.631 -7.426 1.00 0.00 N ATOM 880 CA ALA A 61 7.249 -5.226 -7.107 1.00 0.00 C ATOM 881 C ALA A 61 7.512 -5.072 -5.623 1.00 0.00 C ATOM 882 O ALA A 61 7.105 -5.917 -4.827 1.00 0.00 O ATOM 883 CB ALA A 61 6.052 -4.387 -7.514 1.00 0.00 C ATOM 0 H ALA A 61 6.058 -6.879 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 61 8.117 -4.875 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.239 -3.342 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.890 -4.481 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.167 -4.734 -6.981 1.00 0.00 H new ATOM 889 N ASN A 62 8.189 -4.003 -5.249 1.00 0.00 N ATOM 890 CA ASN A 62 8.541 -3.796 -3.856 1.00 0.00 C ATOM 891 C ASN A 62 8.322 -2.359 -3.424 1.00 0.00 C ATOM 892 O ASN A 62 8.784 -1.969 -2.363 1.00 0.00 O ATOM 893 CB ASN A 62 10.004 -4.168 -3.597 1.00 0.00 C ATOM 894 CG ASN A 62 10.989 -3.218 -4.263 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.742 -2.704 -5.356 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.106 -2.968 -3.601 1.00 0.00 N ATOM 0 H ASN A 62 8.504 -3.270 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 62 7.886 -4.444 -3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.186 -4.176 -2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.184 -5.181 -3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.799 -2.330 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.275 -3.413 -2.699 1.00 0.00 H new ATOM 903 N SER A 63 7.624 -1.568 -4.222 1.00 0.00 N ATOM 904 CA SER A 63 7.435 -0.169 -3.874 1.00 0.00 C ATOM 905 C SER A 63 6.396 0.503 -4.764 1.00 0.00 C ATOM 906 O SER A 63 6.432 0.366 -5.984 1.00 0.00 O ATOM 907 CB SER A 63 8.770 0.574 -3.988 1.00 0.00 C ATOM 908 OG SER A 63 9.383 0.329 -5.243 1.00 0.00 O ATOM 0 H SER A 63 7.188 -1.861 -5.096 1.00 0.00 H new ATOM 0 HA SER A 63 7.070 -0.127 -2.848 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.606 1.644 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.436 0.257 -3.186 1.00 0.00 H new ATOM 0 HG SER A 63 9.789 -0.563 -5.240 1.00 0.00 H new ATOM 914 N VAL A 64 5.490 1.247 -4.149 1.00 0.00 N ATOM 915 CA VAL A 64 4.486 1.998 -4.890 1.00 0.00 C ATOM 916 C VAL A 64 4.679 3.492 -4.667 1.00 0.00 C ATOM 917 O VAL A 64 4.965 3.933 -3.543 1.00 0.00 O ATOM 918 CB VAL A 64 3.032 1.624 -4.499 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.828 1.709 -3.012 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.048 2.507 -5.206 1.00 0.00 C ATOM 0 H VAL A 64 5.429 1.348 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 64 4.626 1.739 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 64 2.863 0.592 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.800 1.441 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.510 1.021 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.027 2.726 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.035 2.227 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.229 3.546 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.163 2.390 -6.284 1.00 0.00 H new ATOM 930 N THR A 65 4.566 4.255 -5.742 1.00 0.00 N ATOM 931 CA THR A 65 4.482 5.682 -5.656 1.00 0.00 C ATOM 932 C THR A 65 3.014 6.104 -5.685 1.00 0.00 C ATOM 933 O THR A 65 2.369 6.110 -6.735 1.00 0.00 O ATOM 934 CB THR A 65 5.247 6.303 -6.826 1.00 0.00 C ATOM 935 OG1 THR A 65 6.647 6.027 -6.681 1.00 0.00 O ATOM 936 CG2 THR A 65 5.015 7.807 -6.924 1.00 0.00 C ATOM 0 H THR A 65 4.531 3.891 -6.694 1.00 0.00 H new ATOM 0 HA THR A 65 4.926 6.029 -4.723 1.00 0.00 H new ATOM 0 HB THR A 65 4.875 5.857 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.138 6.423 -7.431 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.577 8.208 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.953 8.003 -7.069 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.350 8.287 -6.005 1.00 0.00 H new ATOM 944 N LEU A 66 2.491 6.408 -4.516 1.00 0.00 N ATOM 945 CA LEU A 66 1.122 6.855 -4.364 1.00 0.00 C ATOM 946 C LEU A 66 1.018 8.296 -4.798 1.00 0.00 C ATOM 947 O LEU A 66 1.904 9.100 -4.491 1.00 0.00 O ATOM 948 CB LEU A 66 0.678 6.766 -2.912 1.00 0.00 C ATOM 949 CG LEU A 66 1.470 5.818 -2.029 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.241 6.162 -0.585 1.00 0.00 C ATOM 951 CD2 LEU A 66 1.065 4.388 -2.311 1.00 0.00 C ATOM 0 H LEU A 66 3.007 6.352 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 66 0.486 6.215 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.728 7.764 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.368 6.461 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 66 2.533 5.922 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.811 5.480 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.566 7.186 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.180 6.070 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.638 3.715 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.002 4.264 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.263 4.153 -3.357 1.00 0.00 H new ATOM 963 N SER A 67 -0.071 8.623 -5.463 1.00 0.00 N ATOM 964 CA SER A 67 -0.274 9.952 -5.984 1.00 0.00 C ATOM 965 C SER A 67 -1.708 10.377 -5.698 1.00 0.00 C ATOM 966 O SER A 67 -2.515 9.561 -5.246 1.00 0.00 O ATOM 967 CB SER A 67 0.024 9.972 -7.488 1.00 0.00 C ATOM 968 OG SER A 67 0.026 11.293 -8.006 1.00 0.00 O ATOM 0 H SER A 67 -0.835 7.975 -5.655 1.00 0.00 H new ATOM 0 HA SER A 67 0.404 10.656 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.992 9.507 -7.673 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.721 9.376 -8.014 1.00 0.00 H new ATOM 0 HG SER A 67 0.221 11.268 -8.966 1.00 0.00 H new ATOM 974 N ASP A 68 -2.005 11.647 -5.943 1.00 0.00 N ATOM 975 CA ASP A 68 -3.325 12.215 -5.683 1.00 0.00 C ATOM 976 C ASP A 68 -3.649 12.219 -4.195 1.00 0.00 C ATOM 977 O ASP A 68 -4.812 12.130 -3.810 1.00 0.00 O ATOM 978 CB ASP A 68 -4.424 11.472 -6.454 1.00 0.00 C ATOM 979 CG ASP A 68 -4.429 11.807 -7.930 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.944 12.886 -8.295 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.919 10.999 -8.734 1.00 0.00 O ATOM 0 H ASP A 68 -1.337 12.315 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.295 13.246 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.287 10.398 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.395 11.721 -6.026 1.00 0.00 H new ATOM 986 N LEU A 69 -2.624 12.322 -3.357 1.00 0.00 N ATOM 987 CA LEU A 69 -2.848 12.462 -1.922 1.00 0.00 C ATOM 988 C LEU A 69 -3.228 13.903 -1.615 1.00 0.00 C ATOM 989 O LEU A 69 -3.404 14.708 -2.523 1.00 0.00 O ATOM 990 CB LEU A 69 -1.620 12.088 -1.081 1.00 0.00 C ATOM 991 CG LEU A 69 -0.802 10.896 -1.542 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.340 10.666 -0.581 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.683 9.669 -1.600 1.00 0.00 C ATOM 0 H LEU A 69 -1.644 12.312 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.648 11.771 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.961 12.955 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.954 11.895 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.399 11.093 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.927 9.810 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.975 11.552 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.057 10.470 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.094 8.814 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.091 9.467 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.500 9.840 -2.301 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.377 14.214 -0.341 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.694 15.566 0.086 1.00 0.00 C ATOM 1007 C GLN A 70 -2.683 16.015 1.130 1.00 0.00 C ATOM 1008 O GLN A 70 -2.405 15.272 2.068 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.096 15.626 0.685 1.00 0.00 C ATOM 1010 CG GLN A 70 -6.204 15.200 -0.260 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.432 16.187 -1.391 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.841 16.075 -2.464 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.295 17.161 -1.159 1.00 0.00 N ATOM 0 H GLN A 70 -3.283 13.544 0.422 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.654 16.225 -0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.127 14.990 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.292 16.645 1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.960 14.224 -0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.129 15.082 0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.766 17.221 -0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.490 17.853 -1.883 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.119 17.225 0.977 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.102 17.753 1.897 1.00 0.00 C ATOM 1024 C PRO A 71 -1.634 17.975 3.311 1.00 0.00 C ATOM 1025 O PRO A 71 -2.716 18.534 3.499 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.696 19.083 1.269 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.830 19.463 0.380 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.429 18.175 -0.106 1.00 0.00 C ATOM 0 HA PRO A 71 -0.276 17.052 2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.524 19.842 2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.231 18.984 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.567 20.056 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.483 20.071 -0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.503 18.266 -0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.992 17.861 -1.054 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.870 17.525 4.301 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.272 17.685 5.685 1.00 0.00 C ATOM 1038 C GLY A 72 -2.374 16.720 6.061 1.00 0.00 C ATOM 1039 O GLY A 72 -3.259 17.047 6.855 1.00 0.00 O ATOM 0 H GLY A 72 0.023 17.051 4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.411 17.526 6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.611 18.708 5.850 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.323 15.534 5.477 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.346 14.526 5.690 1.00 0.00 C ATOM 1045 C VAL A 73 -2.715 13.157 5.945 1.00 0.00 C ATOM 1046 O VAL A 73 -1.727 12.781 5.311 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.321 14.454 4.489 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.275 13.305 4.645 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.143 15.716 4.395 1.00 0.00 C ATOM 0 H VAL A 73 -1.576 15.245 4.846 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.916 14.815 6.573 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.716 14.325 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.950 13.274 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.715 12.372 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.854 13.434 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.822 15.646 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.720 15.843 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.482 16.572 4.261 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.301 12.425 6.886 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.791 11.139 7.319 1.00 0.00 C ATOM 1061 C GLN A 74 -3.221 10.052 6.344 1.00 0.00 C ATOM 1062 O GLN A 74 -4.415 9.852 6.130 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.343 10.856 8.713 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.353 10.197 9.659 1.00 0.00 C ATOM 1065 CD GLN A 74 -2.022 8.777 9.266 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -2.701 7.837 9.669 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.965 8.610 8.491 1.00 0.00 N ATOM 0 H GLN A 74 -4.150 12.714 7.371 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.701 11.153 7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.679 11.794 9.155 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.220 10.215 8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.436 10.785 9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.764 10.203 10.669 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.429 9.419 8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.685 7.672 8.205 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.256 9.357 5.756 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.553 8.364 4.732 1.00 0.00 C ATOM 1078 C TYR A 75 -2.155 6.957 5.148 1.00 0.00 C ATOM 1079 O TYR A 75 -0.983 6.661 5.353 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.870 8.735 3.417 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.743 9.603 2.543 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.776 10.981 2.700 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.559 9.031 1.578 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.597 11.765 1.914 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.386 9.808 0.794 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.402 11.174 0.965 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.238 11.950 0.193 1.00 0.00 O ATOM 0 H TYR A 75 -1.264 9.462 5.970 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.634 8.365 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.938 9.258 3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.609 7.825 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.151 11.447 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.547 7.960 1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.608 12.837 2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.018 9.347 0.049 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.736 11.377 -0.427 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.150 6.098 5.276 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.928 4.688 5.549 1.00 0.00 C ATOM 1099 C ASN A 76 -2.692 3.942 4.243 1.00 0.00 C ATOM 1100 O ASN A 76 -3.601 3.830 3.414 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.136 4.073 6.272 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.398 4.681 7.639 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -4.102 5.849 7.888 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -4.963 3.892 8.539 1.00 0.00 N ATOM 0 H ASN A 76 -4.133 6.357 5.194 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.052 4.599 6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.023 4.198 5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.975 3.001 6.385 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.166 4.248 9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.195 2.928 8.298 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.466 3.469 4.047 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.135 2.660 2.882 1.00 0.00 C ATOM 1113 C ILE A 77 -1.276 1.196 3.221 1.00 0.00 C ATOM 1114 O ILE A 77 -0.588 0.676 4.102 1.00 0.00 O ATOM 1115 CB ILE A 77 0.299 2.905 2.358 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.504 4.344 1.923 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.631 1.993 1.185 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.913 5.288 3.032 1.00 0.00 C ATOM 0 H ILE A 77 -0.685 3.633 4.682 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.831 2.954 2.096 1.00 0.00 H new ATOM 0 HB ILE A 77 0.965 2.683 3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.266 4.369 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.421 4.709 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.647 2.194 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.553 0.952 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.069 2.179 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.036 6.293 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.143 5.299 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.855 4.953 3.466 1.00 0.00 H new ATOM 1130 N THR A 78 -2.177 0.546 2.527 1.00 0.00 N ATOM 1131 CA THR A 78 -2.430 -0.843 2.738 1.00 0.00 C ATOM 1132 C THR A 78 -1.922 -1.667 1.554 1.00 0.00 C ATOM 1133 O THR A 78 -2.429 -1.530 0.433 1.00 0.00 O ATOM 1134 CB THR A 78 -3.930 -1.064 2.921 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.441 -0.166 3.919 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.217 -2.497 3.331 1.00 0.00 C ATOM 0 H THR A 78 -2.752 0.973 1.801 1.00 0.00 H new ATOM 0 HA THR A 78 -1.901 -1.167 3.635 1.00 0.00 H new ATOM 0 HB THR A 78 -4.423 -0.868 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.404 -0.313 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.291 -2.632 3.456 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.853 -3.176 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.713 -2.714 4.273 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.922 -2.516 1.797 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.373 -3.359 0.723 1.00 0.00 C ATOM 1146 C ILE A 79 -1.033 -4.737 0.757 1.00 0.00 C ATOM 1147 O ILE A 79 -1.268 -5.294 1.825 1.00 0.00 O ATOM 1148 CB ILE A 79 1.172 -3.578 0.790 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.983 -2.310 1.021 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.676 -4.188 -0.490 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.613 -1.145 0.144 1.00 0.00 C ATOM 0 H ILE A 79 -0.480 -2.641 2.708 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.586 -2.816 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 79 1.313 -4.235 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.870 -2.010 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.038 -2.539 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.754 -4.333 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.190 -5.150 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.450 -3.523 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.247 -0.292 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.755 -1.418 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.569 -0.880 0.312 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.332 -5.278 -0.408 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.944 -6.591 -0.520 1.00 0.00 C ATOM 1165 C TYR A 80 -1.153 -7.464 -1.490 1.00 0.00 C ATOM 1166 O TYR A 80 -1.148 -7.191 -2.696 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.375 -6.479 -1.064 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.306 -5.571 -0.292 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.065 -6.069 0.758 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.457 -4.227 -0.633 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.945 -5.261 1.447 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.332 -3.414 0.056 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.076 -3.937 1.093 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.956 -3.134 1.779 1.00 0.00 O ATOM 0 H TYR A 80 -1.158 -4.822 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.952 -7.033 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.325 -6.125 -2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.812 -7.477 -1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.965 -7.107 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.880 -3.817 -1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.529 -5.665 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.434 -2.374 -0.215 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.929 -2.228 1.408 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.507 -8.511 -0.981 1.00 0.00 N ATOM 1185 CA ALA A 81 0.109 -9.510 -1.848 1.00 0.00 C ATOM 1186 C ALA A 81 -0.985 -10.443 -2.340 1.00 0.00 C ATOM 1187 O ALA A 81 -1.545 -11.221 -1.566 1.00 0.00 O ATOM 1188 CB ALA A 81 1.205 -10.297 -1.117 1.00 0.00 C ATOM 0 H ALA A 81 -0.398 -8.688 0.018 1.00 0.00 H new ATOM 0 HA ALA A 81 0.591 -9.012 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.640 -11.031 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.981 -9.611 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.773 -10.809 -0.257 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.313 -10.347 -3.617 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.442 -11.108 -4.148 1.00 0.00 C ATOM 1196 C VAL A 82 -1.962 -12.359 -4.852 1.00 0.00 C ATOM 1197 O VAL A 82 -0.941 -12.338 -5.533 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.352 -10.287 -5.107 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.609 -9.804 -6.330 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.554 -11.108 -5.539 1.00 0.00 C ATOM 0 H VAL A 82 -0.828 -9.763 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.050 -11.375 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.685 -9.412 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.287 -9.237 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.780 -9.166 -6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.223 -10.660 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.177 -10.516 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.215 -12.005 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.134 -11.393 -4.661 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.709 -13.440 -4.661 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.398 -14.738 -5.221 1.00 0.00 C ATOM 1212 C GLU A 83 -3.607 -15.182 -6.062 1.00 0.00 C ATOM 1213 O GLU A 83 -4.679 -14.584 -5.934 1.00 0.00 O ATOM 1214 CB GLU A 83 -2.107 -15.680 -4.048 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.423 -16.998 -4.364 1.00 0.00 C ATOM 1216 CD GLU A 83 -2.285 -17.983 -5.115 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.419 -18.255 -4.667 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.839 -18.464 -6.177 1.00 0.00 O ATOM 0 H GLU A 83 -3.562 -13.433 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.525 -14.731 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.487 -15.143 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.052 -15.901 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.527 -16.797 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.097 -17.457 -3.431 1.00 0.00 H new ATOM 1225 N GLU A 84 -3.443 -16.196 -6.912 1.00 0.00 N ATOM 1226 CA GLU A 84 -4.511 -16.652 -7.811 1.00 0.00 C ATOM 1227 C GLU A 84 -5.845 -16.817 -7.086 1.00 0.00 C ATOM 1228 O GLU A 84 -6.880 -16.349 -7.562 1.00 0.00 O ATOM 1229 CB GLU A 84 -4.139 -17.986 -8.464 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.910 -17.915 -9.349 1.00 0.00 C ATOM 1231 CD GLU A 84 -2.614 -19.229 -10.038 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -3.397 -19.631 -10.924 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.598 -19.867 -9.695 1.00 0.00 O ATOM 0 H GLU A 84 -2.574 -16.723 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.623 -15.880 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.970 -18.727 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.983 -18.336 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.052 -17.139 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.050 -17.622 -8.747 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.821 -17.484 -5.943 1.00 0.00 N ATOM 1241 CA ASN A 85 -7.051 -17.754 -5.208 1.00 0.00 C ATOM 1242 C ASN A 85 -6.920 -17.360 -3.744 1.00 0.00 C ATOM 1243 O ASN A 85 -7.719 -17.782 -2.907 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.435 -19.235 -5.321 1.00 0.00 C ATOM 1245 CG ASN A 85 -6.386 -20.166 -4.738 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -6.414 -20.496 -3.550 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -5.452 -20.600 -5.570 1.00 0.00 N ATOM 0 H ASN A 85 -4.974 -17.846 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.840 -17.149 -5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.383 -19.399 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.592 -19.485 -6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.723 -21.229 -5.235 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.462 -20.305 -6.546 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.927 -16.537 -3.432 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.699 -16.114 -2.059 1.00 0.00 C ATOM 1256 C GLN A 86 -5.262 -14.661 -1.994 1.00 0.00 C ATOM 1257 O GLN A 86 -4.960 -14.047 -3.015 1.00 0.00 O ATOM 1258 CB GLN A 86 -4.650 -16.997 -1.381 1.00 0.00 C ATOM 1259 CG GLN A 86 -5.185 -18.344 -0.927 1.00 0.00 C ATOM 1260 CD GLN A 86 -6.274 -18.202 0.116 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -6.285 -17.244 0.886 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -7.195 -19.149 0.149 1.00 0.00 N ATOM 0 H GLN A 86 -5.269 -16.151 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.646 -16.217 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.823 -17.159 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.245 -16.468 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.576 -18.887 -1.787 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.368 -18.939 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.149 -19.928 -0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.951 -19.101 0.832 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.239 -14.127 -0.784 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.804 -12.761 -0.533 1.00 0.00 C ATOM 1273 C GLU A 87 -4.123 -12.698 0.822 1.00 0.00 C ATOM 1274 O GLU A 87 -4.728 -13.037 1.841 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.994 -11.796 -0.558 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.623 -11.627 -1.929 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.992 -10.993 -1.865 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.078 -9.752 -1.785 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.997 -11.736 -1.891 1.00 0.00 O ATOM 0 H GLU A 87 -5.523 -14.630 0.056 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.107 -12.464 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.753 -12.154 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.666 -10.821 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.971 -11.013 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.700 -12.601 -2.412 1.00 0.00 H new ATOM 1286 N SER A 88 -2.865 -12.293 0.828 1.00 0.00 N ATOM 1287 CA SER A 88 -2.104 -12.184 2.059 1.00 0.00 C ATOM 1288 C SER A 88 -2.692 -11.108 2.965 1.00 0.00 C ATOM 1289 O SER A 88 -3.400 -10.210 2.496 1.00 0.00 O ATOM 1290 CB SER A 88 -0.651 -11.852 1.736 1.00 0.00 C ATOM 1291 OG SER A 88 -0.101 -12.797 0.834 1.00 0.00 O ATOM 0 H SER A 88 -2.347 -12.033 -0.011 1.00 0.00 H new ATOM 0 HA SER A 88 -2.152 -13.139 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.590 -10.853 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.065 -11.838 2.655 1.00 0.00 H new ATOM 0 HG SER A 88 0.873 -12.690 0.801 1.00 0.00 H new ATOM 1297 N THR A 89 -2.404 -11.209 4.259 1.00 0.00 N ATOM 1298 CA THR A 89 -2.840 -10.211 5.221 1.00 0.00 C ATOM 1299 C THR A 89 -2.366 -8.824 4.797 1.00 0.00 C ATOM 1300 O THR A 89 -1.338 -8.683 4.140 1.00 0.00 O ATOM 1301 CB THR A 89 -2.312 -10.534 6.632 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.907 -10.819 6.583 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.055 -11.720 7.227 1.00 0.00 C ATOM 0 H THR A 89 -1.868 -11.977 4.664 1.00 0.00 H new ATOM 0 HA THR A 89 -3.930 -10.225 5.249 1.00 0.00 H new ATOM 0 HB THR A 89 -2.480 -9.663 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.583 -11.021 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.666 -11.930 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.118 -11.487 7.294 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.915 -12.594 6.591 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.114 -7.782 5.147 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.821 -6.437 4.677 1.00 0.00 C ATOM 1313 C PRO A 90 -1.662 -5.770 5.418 1.00 0.00 C ATOM 1314 O PRO A 90 -1.515 -5.901 6.634 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.128 -5.690 4.946 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.747 -6.398 6.104 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.300 -7.828 6.024 1.00 0.00 C ATOM 0 HA PRO A 90 -2.505 -6.437 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.942 -4.641 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.782 -5.713 4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.434 -5.947 7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.834 -6.329 6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.053 -8.225 7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.079 -8.467 5.609 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.847 -5.057 4.657 1.00 0.00 N ATOM 1326 CA VAL A 91 0.140 -4.143 5.203 1.00 0.00 C ATOM 1327 C VAL A 91 -0.563 -2.856 5.534 1.00 0.00 C ATOM 1328 O VAL A 91 -1.174 -2.275 4.649 1.00 0.00 O ATOM 1329 CB VAL A 91 1.205 -3.765 4.165 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.861 -2.452 4.562 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.248 -4.848 3.998 1.00 0.00 C ATOM 0 H VAL A 91 -0.853 -5.097 3.638 1.00 0.00 H new ATOM 0 HA VAL A 91 0.607 -4.630 6.060 1.00 0.00 H new ATOM 0 HB VAL A 91 0.708 -3.650 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.617 -2.185 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.106 -1.667 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.331 -2.561 5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.981 -4.536 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.749 -5.020 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.767 -5.769 3.669 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.492 -2.403 6.766 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.016 -1.093 7.074 1.00 0.00 C ATOM 1343 C VAL A 92 0.094 -0.207 7.614 1.00 0.00 C ATOM 1344 O VAL A 92 0.531 -0.360 8.754 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.176 -1.147 8.088 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.918 0.178 8.096 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.126 -2.294 7.772 1.00 0.00 C ATOM 0 H VAL A 92 -0.087 -2.909 7.554 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.411 -0.677 6.147 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.761 -1.325 9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.736 0.132 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.232 0.977 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.319 0.377 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.935 -2.309 8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.542 -2.158 6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.583 -3.238 7.813 1.00 0.00 H new ATOM 1357 N ILE A 93 0.549 0.712 6.783 1.00 0.00 N ATOM 1358 CA ILE A 93 1.546 1.686 7.189 1.00 0.00 C ATOM 1359 C ILE A 93 0.982 3.084 7.018 1.00 0.00 C ATOM 1360 O ILE A 93 0.733 3.537 5.903 1.00 0.00 O ATOM 1361 CB ILE A 93 2.865 1.549 6.389 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.585 1.353 4.904 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.697 0.398 6.936 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.774 1.668 4.036 1.00 0.00 C ATOM 0 H ILE A 93 0.241 0.805 5.815 1.00 0.00 H new ATOM 0 HA ILE A 93 1.784 1.499 8.236 1.00 0.00 H new ATOM 0 HB ILE A 93 3.432 2.473 6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.278 0.322 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.749 1.988 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.621 0.313 6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.934 0.586 7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.132 -0.531 6.853 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.513 1.510 2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.067 2.707 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.604 1.015 4.305 1.00 0.00 H new ATOM 1376 N GLN A 94 0.742 3.753 8.127 1.00 0.00 N ATOM 1377 CA GLN A 94 0.121 5.058 8.086 1.00 0.00 C ATOM 1378 C GLN A 94 1.174 6.161 8.161 1.00 0.00 C ATOM 1379 O GLN A 94 1.894 6.305 9.150 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.941 5.206 9.192 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.406 5.115 10.621 1.00 0.00 C ATOM 1382 CD GLN A 94 0.052 3.721 11.030 1.00 0.00 C ATOM 1383 OE1 GLN A 94 1.008 3.576 11.786 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -0.643 2.686 10.570 1.00 0.00 N ATOM 0 H GLN A 94 0.967 3.416 9.063 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.395 5.159 7.131 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.441 6.167 9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.697 4.433 9.054 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.430 5.806 10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.183 5.446 11.310 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.433 2.840 9.943 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.387 1.737 10.844 1.00 0.00 H new ATOM 1393 N GLN A 95 1.270 6.912 7.082 1.00 0.00 N ATOM 1394 CA GLN A 95 2.205 8.015 6.974 1.00 0.00 C ATOM 1395 C GLN A 95 1.447 9.288 6.615 1.00 0.00 C ATOM 1396 O GLN A 95 0.635 9.290 5.691 1.00 0.00 O ATOM 1397 CB GLN A 95 3.248 7.697 5.898 1.00 0.00 C ATOM 1398 CG GLN A 95 4.681 7.683 6.407 1.00 0.00 C ATOM 1399 CD GLN A 95 5.125 9.007 7.003 1.00 0.00 C ATOM 1400 OE1 GLN A 95 5.951 9.039 7.913 1.00 0.00 O ATOM 1401 NE2 GLN A 95 4.596 10.110 6.492 1.00 0.00 N ATOM 0 H GLN A 95 0.697 6.773 6.249 1.00 0.00 H new ATOM 0 HA GLN A 95 2.714 8.162 7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.019 6.725 5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.165 8.433 5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.783 6.902 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.348 7.422 5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.913 10.046 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.872 11.023 6.854 1.00 0.00 H new ATOM 1410 N GLU A 96 1.676 10.356 7.360 1.00 0.00 N ATOM 1411 CA GLU A 96 1.014 11.620 7.083 1.00 0.00 C ATOM 1412 C GLU A 96 1.835 12.446 6.110 1.00 0.00 C ATOM 1413 O GLU A 96 3.061 12.516 6.210 1.00 0.00 O ATOM 1414 CB GLU A 96 0.770 12.399 8.375 1.00 0.00 C ATOM 1415 CG GLU A 96 0.120 13.757 8.169 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.159 14.467 9.474 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -1.206 14.193 10.093 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.671 15.296 9.894 1.00 0.00 O ATOM 0 H GLU A 96 2.312 10.374 8.157 1.00 0.00 H new ATOM 0 HA GLU A 96 0.047 11.407 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.138 11.802 9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.722 12.538 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.770 14.378 7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.814 13.630 7.621 1.00 0.00 H new ATOM 1425 N THR A 97 1.148 13.056 5.167 1.00 0.00 N ATOM 1426 CA THR A 97 1.784 13.849 4.139 1.00 0.00 C ATOM 1427 C THR A 97 2.328 15.153 4.715 1.00 0.00 C ATOM 1428 O THR A 97 1.586 15.951 5.287 1.00 0.00 O ATOM 1429 CB THR A 97 0.776 14.158 3.025 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.381 14.770 3.599 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.367 12.888 2.296 1.00 0.00 C ATOM 0 H THR A 97 0.132 13.015 5.093 1.00 0.00 H new ATOM 0 HA THR A 97 2.618 13.278 3.731 1.00 0.00 H new ATOM 0 HB THR A 97 1.243 14.832 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.161 14.588 3.035 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.348 13.133 1.511 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.248 12.423 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.092 12.195 3.001 1.00 0.00 H new ATOM 1439 N THR A 98 3.627 15.354 4.564 1.00 0.00 N ATOM 1440 CA THR A 98 4.282 16.552 5.061 1.00 0.00 C ATOM 1441 C THR A 98 3.848 17.764 4.246 1.00 0.00 C ATOM 1442 O THR A 98 3.780 18.886 4.752 1.00 0.00 O ATOM 1443 CB THR A 98 5.807 16.401 4.963 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.187 15.078 5.366 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.523 17.421 5.835 1.00 0.00 C ATOM 0 H THR A 98 4.252 14.697 4.097 1.00 0.00 H new ATOM 0 HA THR A 98 3.997 16.693 6.103 1.00 0.00 H new ATOM 0 HB THR A 98 6.098 16.574 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.160 14.983 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.601 17.286 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.254 18.427 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.228 17.281 6.875 1.00 0.00 H new