USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 ASN :FLIP amide:sc= 0.234 X(o=-0.02,f=0.23) USER MOD Set 1.2: A 94 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0.23) USER MOD Set 2.1: A 62 ASN : amide:sc= 0.17 K(o=0.4,f=-3.6!) USER MOD Set 2.2: A 63 SER OG : rot -75:sc= 0.232 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.753 K(o=-0.75,f=-5.1!) USER MOD Single : A 24 THR OG1 : rot -72:sc= 1.05 USER MOD Single : A 25 SER OG : rot -6:sc= 0.774 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= -0.0742 USER MOD Single : A 40 TYR OH : rot 106:sc= -4.38! USER MOD Single : A 44 TYR OH : rot 180:sc= -1.57! USER MOD Single : A 45 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 52 SER OG : rot 31:sc= -1.17 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0311 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 60 THR OG1 : rot -30:sc= 1.13 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.000279 USER MOD Single : A 70 GLN : amide:sc= -0.022 K(o=-0.022,f=-1.2) USER MOD Single : A 74 GLN :FLIP amide:sc= -3.79! C(o=-4.6!,f=-3.8!) USER MOD Single : A 75 TYR OH : rot 130:sc= 0.00927 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 86 GLN : amide:sc= 1.32 K(o=1.3,f=-1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 95 GLN :FLIP amide:sc= -1.12 F(o=-3.2!,f=-1.1) USER MOD Single : A 97 THR OG1 : rot 176:sc= 2.24 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.114 -11.854 4.140 1.00 0.00 N ATOM 142 CA ALA A 12 2.175 -10.485 3.666 1.00 0.00 C ATOM 143 C ALA A 12 3.571 -9.934 3.887 1.00 0.00 C ATOM 144 O ALA A 12 4.319 -10.460 4.714 1.00 0.00 O ATOM 145 CB ALA A 12 1.165 -9.634 4.411 1.00 0.00 C ATOM 0 HA ALA A 12 1.941 -10.463 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.217 -8.607 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.163 -10.028 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.388 -9.655 5.478 1.00 0.00 H new ATOM 151 N PRO A 13 3.955 -8.884 3.155 1.00 0.00 N ATOM 152 CA PRO A 13 5.236 -8.225 3.368 1.00 0.00 C ATOM 153 C PRO A 13 5.308 -7.576 4.743 1.00 0.00 C ATOM 154 O PRO A 13 4.406 -6.823 5.124 1.00 0.00 O ATOM 155 CB PRO A 13 5.278 -7.149 2.276 1.00 0.00 C ATOM 156 CG PRO A 13 4.267 -7.576 1.272 1.00 0.00 C ATOM 157 CD PRO A 13 3.194 -8.257 2.062 1.00 0.00 C ATOM 0 HA PRO A 13 6.070 -8.925 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.040 -6.166 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.270 -7.078 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.870 -6.721 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.703 -8.252 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.454 -7.549 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.657 -8.995 1.466 1.00 0.00 H new ATOM 165 N PRO A 14 6.356 -7.895 5.524 1.00 0.00 N ATOM 166 CA PRO A 14 6.644 -7.202 6.779 1.00 0.00 C ATOM 167 C PRO A 14 6.572 -5.695 6.601 1.00 0.00 C ATOM 168 O PRO A 14 6.911 -5.184 5.529 1.00 0.00 O ATOM 169 CB PRO A 14 8.069 -7.645 7.100 1.00 0.00 C ATOM 170 CG PRO A 14 8.190 -8.997 6.488 1.00 0.00 C ATOM 171 CD PRO A 14 7.316 -8.984 5.261 1.00 0.00 C ATOM 0 HA PRO A 14 5.932 -7.437 7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.802 -6.954 6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.240 -7.680 8.176 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.225 -9.214 6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.869 -9.770 7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.897 -8.796 4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.809 -9.939 5.121 1.00 0.00 H new ATOM 179 N ASP A 15 6.136 -5.013 7.667 1.00 0.00 N ATOM 180 CA ASP A 15 5.778 -3.593 7.625 1.00 0.00 C ATOM 181 C ASP A 15 6.703 -2.781 6.720 1.00 0.00 C ATOM 182 O ASP A 15 7.865 -2.525 7.043 1.00 0.00 O ATOM 183 CB ASP A 15 5.742 -2.998 9.043 1.00 0.00 C ATOM 184 CG ASP A 15 7.090 -2.991 9.740 1.00 0.00 C ATOM 185 OD1 ASP A 15 7.627 -4.079 10.031 1.00 0.00 O ATOM 186 OD2 ASP A 15 7.613 -1.889 10.023 1.00 0.00 O ATOM 0 H ASP A 15 6.021 -5.435 8.588 1.00 0.00 H new ATOM 0 HA ASP A 15 4.779 -3.531 7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.367 -1.976 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.034 -3.566 9.647 1.00 0.00 H new ATOM 191 N PRO A 16 6.178 -2.387 5.552 1.00 0.00 N ATOM 192 CA PRO A 16 6.913 -1.600 4.558 1.00 0.00 C ATOM 193 C PRO A 16 7.252 -0.212 5.069 1.00 0.00 C ATOM 194 O PRO A 16 6.560 0.343 5.924 1.00 0.00 O ATOM 195 CB PRO A 16 5.941 -1.516 3.365 1.00 0.00 C ATOM 196 CG PRO A 16 4.981 -2.625 3.602 1.00 0.00 C ATOM 197 CD PRO A 16 4.822 -2.697 5.089 1.00 0.00 C ATOM 0 HA PRO A 16 7.870 -2.055 4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.435 -0.551 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.463 -1.637 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.026 -2.430 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.359 -3.565 3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.090 -1.978 5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.493 -3.683 5.418 1.00 0.00 H new ATOM 205 N THR A 17 8.327 0.333 4.550 1.00 0.00 N ATOM 206 CA THR A 17 8.787 1.642 4.962 1.00 0.00 C ATOM 207 C THR A 17 8.575 2.658 3.864 1.00 0.00 C ATOM 208 O THR A 17 8.926 2.436 2.702 1.00 0.00 O ATOM 209 CB THR A 17 10.274 1.604 5.367 1.00 0.00 C ATOM 210 OG1 THR A 17 10.491 0.551 6.321 1.00 0.00 O ATOM 211 CG2 THR A 17 10.706 2.934 5.969 1.00 0.00 C ATOM 0 H THR A 17 8.904 -0.112 3.836 1.00 0.00 H new ATOM 0 HA THR A 17 8.200 1.940 5.831 1.00 0.00 H new ATOM 0 HB THR A 17 10.869 1.418 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.437 0.529 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.759 2.883 6.247 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.562 3.729 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.107 3.144 6.855 1.00 0.00 H new ATOM 219 N VAL A 18 7.946 3.748 4.246 1.00 0.00 N ATOM 220 CA VAL A 18 7.776 4.887 3.358 1.00 0.00 C ATOM 221 C VAL A 18 9.094 5.635 3.230 1.00 0.00 C ATOM 222 O VAL A 18 9.648 6.128 4.214 1.00 0.00 O ATOM 223 CB VAL A 18 6.667 5.841 3.846 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.599 7.090 2.966 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.323 5.127 3.875 1.00 0.00 C ATOM 0 H VAL A 18 7.539 3.874 5.173 1.00 0.00 H new ATOM 0 HA VAL A 18 7.470 4.508 2.383 1.00 0.00 H new ATOM 0 HB VAL A 18 6.909 6.156 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.810 7.748 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.554 7.614 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.385 6.799 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.553 5.816 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.074 4.779 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.379 4.274 4.552 1.00 0.00 H new ATOM 235 N ASP A 19 9.589 5.698 2.008 1.00 0.00 N ATOM 236 CA ASP A 19 10.900 6.259 1.723 1.00 0.00 C ATOM 237 C ASP A 19 10.817 7.764 1.492 1.00 0.00 C ATOM 238 O ASP A 19 11.669 8.521 1.954 1.00 0.00 O ATOM 239 CB ASP A 19 11.497 5.560 0.498 1.00 0.00 C ATOM 240 CG ASP A 19 12.829 6.137 0.074 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.755 6.192 0.911 1.00 0.00 O ATOM 242 OD2 ASP A 19 12.957 6.527 -1.106 1.00 0.00 O ATOM 0 H ASP A 19 9.094 5.361 1.182 1.00 0.00 H new ATOM 0 HA ASP A 19 11.546 6.094 2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.621 4.499 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.795 5.634 -0.333 1.00 0.00 H new ATOM 247 N GLN A 20 9.777 8.193 0.790 1.00 0.00 N ATOM 248 CA GLN A 20 9.606 9.602 0.455 1.00 0.00 C ATOM 249 C GLN A 20 8.164 10.025 0.661 1.00 0.00 C ATOM 250 O GLN A 20 7.239 9.278 0.336 1.00 0.00 O ATOM 251 CB GLN A 20 10.008 9.860 -1.000 1.00 0.00 C ATOM 252 CG GLN A 20 11.462 9.539 -1.317 1.00 0.00 C ATOM 253 CD GLN A 20 12.443 10.522 -0.703 1.00 0.00 C ATOM 254 OE1 GLN A 20 12.205 11.086 0.366 1.00 0.00 O ATOM 255 NE2 GLN A 20 13.555 10.738 -1.384 1.00 0.00 N ATOM 0 H GLN A 20 9.037 7.585 0.440 1.00 0.00 H new ATOM 0 HA GLN A 20 10.249 10.186 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.367 9.266 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.820 10.907 -1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.692 8.536 -0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.597 9.530 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.716 10.251 -2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.253 11.391 -1.028 1.00 0.00 H new ATOM 264 N VAL A 21 7.977 11.217 1.204 1.00 0.00 N ATOM 265 CA VAL A 21 6.640 11.756 1.418 1.00 0.00 C ATOM 266 C VAL A 21 6.529 13.179 0.878 1.00 0.00 C ATOM 267 O VAL A 21 7.403 14.015 1.103 1.00 0.00 O ATOM 268 CB VAL A 21 6.228 11.740 2.911 1.00 0.00 C ATOM 269 CG1 VAL A 21 6.168 10.318 3.443 1.00 0.00 C ATOM 270 CG2 VAL A 21 7.175 12.579 3.754 1.00 0.00 C ATOM 0 H VAL A 21 8.733 11.831 1.505 1.00 0.00 H new ATOM 0 HA VAL A 21 5.958 11.105 0.872 1.00 0.00 H new ATOM 0 HB VAL A 21 5.232 12.178 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.877 10.334 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.436 9.747 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.148 9.852 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.859 12.547 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.186 12.182 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.160 13.610 3.401 1.00 0.00 H new ATOM 280 N ASP A 22 5.454 13.436 0.153 1.00 0.00 N ATOM 281 CA ASP A 22 5.186 14.755 -0.403 1.00 0.00 C ATOM 282 C ASP A 22 3.730 15.133 -0.172 1.00 0.00 C ATOM 283 O ASP A 22 3.060 14.552 0.681 1.00 0.00 O ATOM 284 CB ASP A 22 5.497 14.789 -1.907 1.00 0.00 C ATOM 285 CG ASP A 22 6.974 14.941 -2.207 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.478 16.085 -2.162 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.634 13.926 -2.517 1.00 0.00 O ATOM 0 H ASP A 22 4.743 12.739 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 22 5.832 15.474 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.132 13.871 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.953 15.615 -2.366 1.00 0.00 H new ATOM 292 N ASP A 23 3.259 16.120 -0.915 1.00 0.00 N ATOM 293 CA ASP A 23 1.872 16.561 -0.846 1.00 0.00 C ATOM 294 C ASP A 23 0.922 15.513 -1.412 1.00 0.00 C ATOM 295 O ASP A 23 0.151 14.895 -0.682 1.00 0.00 O ATOM 296 CB ASP A 23 1.709 17.879 -1.614 1.00 0.00 C ATOM 297 CG ASP A 23 2.350 17.840 -2.991 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.595 17.804 -3.072 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.613 17.816 -4.000 1.00 0.00 O ATOM 0 H ASP A 23 3.826 16.640 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 23 1.618 16.711 0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.648 18.105 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.152 18.689 -1.035 1.00 0.00 H new ATOM 304 N THR A 24 0.998 15.312 -2.712 1.00 0.00 N ATOM 305 CA THR A 24 0.084 14.443 -3.416 1.00 0.00 C ATOM 306 C THR A 24 0.825 13.210 -3.921 1.00 0.00 C ATOM 307 O THR A 24 0.572 12.719 -5.018 1.00 0.00 O ATOM 308 CB THR A 24 -0.554 15.215 -4.585 1.00 0.00 C ATOM 309 OG1 THR A 24 0.471 15.714 -5.455 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.373 16.385 -4.052 1.00 0.00 C ATOM 0 H THR A 24 1.699 15.750 -3.310 1.00 0.00 H new ATOM 0 HA THR A 24 -0.705 14.113 -2.740 1.00 0.00 H new ATOM 0 HB THR A 24 -1.206 14.539 -5.138 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.941 16.454 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.821 16.926 -4.886 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.160 16.010 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.724 17.057 -3.490 1.00 0.00 H new ATOM 318 N SER A 25 1.729 12.706 -3.085 1.00 0.00 N ATOM 319 CA SER A 25 2.659 11.642 -3.457 1.00 0.00 C ATOM 320 C SER A 25 3.376 11.103 -2.214 1.00 0.00 C ATOM 321 O SER A 25 3.862 11.876 -1.392 1.00 0.00 O ATOM 322 CB SER A 25 3.701 12.147 -4.467 1.00 0.00 C ATOM 323 OG SER A 25 3.101 12.531 -5.695 1.00 0.00 O ATOM 0 H SER A 25 1.838 13.027 -2.123 1.00 0.00 H new ATOM 0 HA SER A 25 2.081 10.842 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.237 12.996 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.438 11.365 -4.651 1.00 0.00 H new ATOM 0 HG SER A 25 2.149 12.299 -5.680 1.00 0.00 H new ATOM 329 N ILE A 26 3.415 9.784 -2.074 1.00 0.00 N ATOM 330 CA ILE A 26 4.133 9.125 -0.967 1.00 0.00 C ATOM 331 C ILE A 26 4.619 7.760 -1.435 1.00 0.00 C ATOM 332 O ILE A 26 3.889 7.062 -2.105 1.00 0.00 O ATOM 333 CB ILE A 26 3.238 8.957 0.295 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.125 10.273 1.070 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.763 7.859 1.209 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.267 10.174 2.315 1.00 0.00 C ATOM 0 H ILE A 26 2.956 9.136 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 26 4.975 9.757 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 26 2.246 8.669 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.124 10.605 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.710 11.037 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.114 7.769 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.778 6.912 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.773 8.108 1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.233 11.144 2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.257 9.873 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.693 9.434 2.993 1.00 0.00 H new ATOM 348 N VAL A 27 5.831 7.359 -1.092 1.00 0.00 N ATOM 349 CA VAL A 27 6.363 6.123 -1.638 1.00 0.00 C ATOM 350 C VAL A 27 6.600 5.116 -0.539 1.00 0.00 C ATOM 351 O VAL A 27 7.215 5.438 0.467 1.00 0.00 O ATOM 352 CB VAL A 27 7.687 6.342 -2.377 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.124 5.045 -3.041 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.559 7.460 -3.396 1.00 0.00 C ATOM 0 H VAL A 27 6.452 7.857 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 27 5.620 5.752 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 27 8.449 6.640 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.066 5.204 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.257 4.274 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.362 4.726 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.512 7.597 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.790 7.202 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.284 8.385 -2.889 1.00 0.00 H new ATOM 364 N VAL A 28 6.142 3.892 -0.735 1.00 0.00 N ATOM 365 CA VAL A 28 6.297 2.877 0.282 1.00 0.00 C ATOM 366 C VAL A 28 6.980 1.647 -0.307 1.00 0.00 C ATOM 367 O VAL A 28 6.767 1.320 -1.475 1.00 0.00 O ATOM 368 CB VAL A 28 4.943 2.493 0.928 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.900 3.569 0.722 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.445 1.156 0.436 1.00 0.00 C ATOM 0 H VAL A 28 5.665 3.583 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 28 6.924 3.290 1.072 1.00 0.00 H new ATOM 0 HB VAL A 28 5.120 2.404 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.964 3.263 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.243 4.500 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.740 3.721 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.493 0.924 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.309 1.194 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.173 0.383 0.683 1.00 0.00 H new ATOM 380 N ARG A 29 7.800 0.985 0.506 1.00 0.00 N ATOM 381 CA ARG A 29 8.571 -0.181 0.068 1.00 0.00 C ATOM 382 C ARG A 29 8.333 -1.352 1.005 1.00 0.00 C ATOM 383 O ARG A 29 8.619 -1.266 2.197 1.00 0.00 O ATOM 384 CB ARG A 29 10.072 0.131 0.043 1.00 0.00 C ATOM 385 CG ARG A 29 10.457 1.373 -0.749 1.00 0.00 C ATOM 386 CD ARG A 29 11.970 1.507 -0.833 1.00 0.00 C ATOM 387 NE ARG A 29 12.396 2.709 -1.552 1.00 0.00 N ATOM 388 CZ ARG A 29 13.581 2.826 -2.153 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.418 1.798 -2.178 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.925 3.967 -2.735 1.00 0.00 N ATOM 0 H ARG A 29 7.950 1.238 1.483 1.00 0.00 H new ATOM 0 HA ARG A 29 8.240 -0.436 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.420 0.250 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.599 -0.726 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.035 1.316 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.034 2.259 -0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.385 1.526 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.381 0.628 -1.330 1.00 0.00 H new ATOM 0 HE ARG A 29 11.752 3.499 -1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.156 0.916 -1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.324 1.889 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.282 4.759 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.832 4.052 -3.194 1.00 0.00 H new ATOM 404 N TRP A 30 7.854 -2.450 0.445 1.00 0.00 N ATOM 405 CA TRP A 30 7.440 -3.612 1.230 1.00 0.00 C ATOM 406 C TRP A 30 8.350 -4.818 0.994 1.00 0.00 C ATOM 407 O TRP A 30 8.871 -5.017 -0.107 1.00 0.00 O ATOM 408 CB TRP A 30 5.976 -3.969 0.914 1.00 0.00 C ATOM 409 CG TRP A 30 5.683 -4.132 -0.537 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.931 -5.220 -1.288 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.044 -3.191 -1.394 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.540 -5.008 -2.582 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.974 -3.772 -2.670 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.533 -1.914 -1.210 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.410 -3.119 -3.754 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.969 -1.271 -2.285 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.909 -1.870 -3.538 1.00 0.00 C ATOM 0 H TRP A 30 7.739 -2.566 -0.562 1.00 0.00 H new ATOM 0 HA TRP A 30 7.525 -3.347 2.284 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.721 -4.894 1.430 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.329 -3.190 1.318 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.376 -6.133 -0.921 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.653 -5.666 -3.353 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.578 -1.436 -0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.369 -3.580 -4.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.563 -0.279 -2.154 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.455 -1.334 -4.358 1.00 0.00 H new ATOM 428 N SER A 31 8.533 -5.618 2.040 1.00 0.00 N ATOM 429 CA SER A 31 9.359 -6.815 1.968 1.00 0.00 C ATOM 430 C SER A 31 8.529 -8.011 1.493 1.00 0.00 C ATOM 431 O SER A 31 7.960 -8.744 2.296 1.00 0.00 O ATOM 432 CB SER A 31 9.976 -7.095 3.339 1.00 0.00 C ATOM 433 OG SER A 31 10.626 -5.941 3.852 1.00 0.00 O ATOM 0 H SER A 31 8.115 -5.455 2.956 1.00 0.00 H new ATOM 0 HA SER A 31 10.160 -6.654 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.199 -7.417 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.691 -7.914 3.259 1.00 0.00 H new ATOM 0 HG SER A 31 11.011 -6.145 4.730 1.00 0.00 H new ATOM 439 N ARG A 32 8.476 -8.177 0.176 1.00 0.00 N ATOM 440 CA ARG A 32 7.647 -9.191 -0.492 1.00 0.00 C ATOM 441 C ARG A 32 7.795 -10.600 0.112 1.00 0.00 C ATOM 442 O ARG A 32 8.820 -10.930 0.715 1.00 0.00 O ATOM 443 CB ARG A 32 7.996 -9.226 -1.984 1.00 0.00 C ATOM 444 CG ARG A 32 8.057 -7.848 -2.621 1.00 0.00 C ATOM 445 CD ARG A 32 9.464 -7.265 -2.603 1.00 0.00 C ATOM 446 NE ARG A 32 10.298 -7.831 -3.663 1.00 0.00 N ATOM 447 CZ ARG A 32 11.592 -7.561 -3.832 1.00 0.00 C ATOM 448 NH1 ARG A 32 12.217 -6.709 -3.023 1.00 0.00 N ATOM 449 NH2 ARG A 32 12.266 -8.149 -4.810 1.00 0.00 N ATOM 0 H ARG A 32 9.014 -7.604 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 32 6.607 -8.900 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.959 -9.721 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.255 -9.829 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.705 -7.910 -3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.381 -7.176 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.411 -6.183 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.926 -7.458 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 32 9.859 -8.477 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.705 -6.256 -2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.208 -6.509 -3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.794 -8.806 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.257 -7.944 -4.942 1.00 0.00 H new ATOM 463 N PRO A 33 6.765 -11.455 -0.076 1.00 0.00 N ATOM 464 CA PRO A 33 6.670 -12.775 0.537 1.00 0.00 C ATOM 465 C PRO A 33 7.390 -13.844 -0.272 1.00 0.00 C ATOM 466 O PRO A 33 7.793 -13.616 -1.414 1.00 0.00 O ATOM 467 CB PRO A 33 5.153 -13.062 0.528 1.00 0.00 C ATOM 468 CG PRO A 33 4.510 -11.893 -0.153 1.00 0.00 C ATOM 469 CD PRO A 33 5.602 -11.221 -0.923 1.00 0.00 C ATOM 0 HA PRO A 33 7.129 -12.792 1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.935 -13.989 -0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.773 -13.179 1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.708 -12.219 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.067 -11.212 0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.727 -11.655 -1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.407 -10.158 -1.062 1.00 0.00 H new ATOM 477 N GLN A 34 7.535 -15.015 0.331 1.00 0.00 N ATOM 478 CA GLN A 34 8.154 -16.147 -0.334 1.00 0.00 C ATOM 479 C GLN A 34 7.080 -17.017 -0.984 1.00 0.00 C ATOM 480 O GLN A 34 7.381 -17.987 -1.684 1.00 0.00 O ATOM 481 CB GLN A 34 8.982 -16.955 0.661 1.00 0.00 C ATOM 482 CG GLN A 34 9.964 -16.102 1.448 1.00 0.00 C ATOM 483 CD GLN A 34 10.873 -16.916 2.344 1.00 0.00 C ATOM 484 OE1 GLN A 34 11.964 -17.319 1.941 1.00 0.00 O ATOM 485 NE2 GLN A 34 10.434 -17.170 3.565 1.00 0.00 N ATOM 0 H GLN A 34 7.230 -15.204 1.286 1.00 0.00 H new ATOM 0 HA GLN A 34 8.823 -15.783 -1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.312 -17.462 1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.531 -17.729 0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.572 -15.524 0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.409 -15.388 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.524 -16.819 3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.005 -17.717 4.209 1.00 0.00 H new ATOM 494 N ALA A 35 5.823 -16.657 -0.734 1.00 0.00 N ATOM 495 CA ALA A 35 4.685 -17.295 -1.383 1.00 0.00 C ATOM 496 C ALA A 35 4.673 -16.956 -2.865 1.00 0.00 C ATOM 497 O ALA A 35 5.066 -15.850 -3.246 1.00 0.00 O ATOM 498 CB ALA A 35 3.386 -16.817 -0.747 1.00 0.00 C ATOM 0 H ALA A 35 5.568 -15.918 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 35 4.773 -18.374 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.541 -17.299 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.384 -17.073 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.302 -15.736 -0.859 1.00 0.00 H new ATOM 504 N PRO A 36 4.257 -17.890 -3.732 1.00 0.00 N ATOM 505 CA PRO A 36 4.069 -17.582 -5.141 1.00 0.00 C ATOM 506 C PRO A 36 2.854 -16.685 -5.317 1.00 0.00 C ATOM 507 O PRO A 36 1.717 -17.114 -5.122 1.00 0.00 O ATOM 508 CB PRO A 36 3.834 -18.950 -5.799 1.00 0.00 C ATOM 509 CG PRO A 36 4.164 -19.964 -4.752 1.00 0.00 C ATOM 510 CD PRO A 36 3.951 -19.289 -3.429 1.00 0.00 C ATOM 0 HA PRO A 36 4.917 -17.054 -5.578 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.801 -19.052 -6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.466 -19.075 -6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.526 -20.843 -4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.194 -20.306 -4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.929 -19.412 -3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.609 -19.690 -2.658 1.00 0.00 H new ATOM 518 N ILE A 37 3.101 -15.458 -5.728 1.00 0.00 N ATOM 519 CA ILE A 37 2.062 -14.449 -5.787 1.00 0.00 C ATOM 520 C ILE A 37 1.924 -13.921 -7.214 1.00 0.00 C ATOM 521 O ILE A 37 2.880 -13.954 -7.986 1.00 0.00 O ATOM 522 CB ILE A 37 2.380 -13.290 -4.806 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.721 -12.651 -5.162 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.378 -13.776 -3.349 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.273 -11.763 -4.075 1.00 0.00 C ATOM 0 H ILE A 37 4.020 -15.133 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 37 1.115 -14.900 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 37 1.597 -12.538 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.443 -13.438 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.605 -12.066 -6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.604 -12.941 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.396 -14.180 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.132 -14.553 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.226 -11.344 -4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.570 -10.954 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.422 -12.348 -3.168 1.00 0.00 H new ATOM 537 N THR A 38 0.730 -13.468 -7.568 1.00 0.00 N ATOM 538 CA THR A 38 0.454 -13.014 -8.923 1.00 0.00 C ATOM 539 C THR A 38 0.533 -11.497 -9.072 1.00 0.00 C ATOM 540 O THR A 38 0.799 -10.997 -10.166 1.00 0.00 O ATOM 541 CB THR A 38 -0.920 -13.494 -9.404 1.00 0.00 C ATOM 542 OG1 THR A 38 -1.905 -13.255 -8.394 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.876 -14.963 -9.753 1.00 0.00 C ATOM 0 H THR A 38 -0.066 -13.405 -6.933 1.00 0.00 H new ATOM 0 HA THR A 38 1.235 -13.454 -9.543 1.00 0.00 H new ATOM 0 HB THR A 38 -1.189 -12.935 -10.300 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.780 -13.564 -8.711 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.860 -15.286 -10.092 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.147 -15.127 -10.546 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.589 -15.538 -8.872 1.00 0.00 H new ATOM 551 N GLY A 39 0.290 -10.755 -7.999 1.00 0.00 N ATOM 552 CA GLY A 39 0.409 -9.319 -8.084 1.00 0.00 C ATOM 553 C GLY A 39 0.256 -8.646 -6.746 1.00 0.00 C ATOM 554 O GLY A 39 0.348 -9.300 -5.711 1.00 0.00 O ATOM 0 H GLY A 39 0.017 -11.118 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.381 -9.063 -8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.348 -8.935 -8.768 1.00 0.00 H new ATOM 558 N TYR A 40 0.027 -7.342 -6.766 1.00 0.00 N ATOM 559 CA TYR A 40 -0.197 -6.570 -5.552 1.00 0.00 C ATOM 560 C TYR A 40 -1.305 -5.562 -5.747 1.00 0.00 C ATOM 561 O TYR A 40 -1.372 -4.886 -6.771 1.00 0.00 O ATOM 562 CB TYR A 40 1.058 -5.812 -5.132 1.00 0.00 C ATOM 563 CG TYR A 40 1.995 -6.600 -4.255 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.503 -7.819 -4.664 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.402 -6.102 -3.028 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.385 -8.519 -3.882 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.277 -6.805 -2.236 1.00 0.00 C ATOM 568 CZ TYR A 40 3.767 -8.007 -2.668 1.00 0.00 C ATOM 569 OH TYR A 40 4.659 -8.692 -1.893 1.00 0.00 O ATOM 0 H TYR A 40 -0.009 -6.789 -7.622 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.471 -7.285 -4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.595 -5.498 -6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.761 -4.906 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.200 -8.227 -5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.026 -5.148 -2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.777 -9.467 -4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.577 -6.410 -1.276 1.00 0.00 H new ATOM 0 HH TYR A 40 5.530 -8.244 -1.924 1.00 0.00 H new ATOM 579 N ARG A 41 -2.181 -5.480 -4.773 1.00 0.00 N ATOM 580 CA ARG A 41 -3.164 -4.424 -4.719 1.00 0.00 C ATOM 581 C ARG A 41 -2.810 -3.480 -3.602 1.00 0.00 C ATOM 582 O ARG A 41 -2.242 -3.891 -2.616 1.00 0.00 O ATOM 583 CB ARG A 41 -4.515 -5.019 -4.468 1.00 0.00 C ATOM 584 CG ARG A 41 -4.632 -6.405 -5.069 1.00 0.00 C ATOM 585 CD ARG A 41 -6.027 -6.965 -4.935 1.00 0.00 C ATOM 586 NE ARG A 41 -6.612 -6.686 -3.628 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.504 -5.723 -3.392 1.00 0.00 C ATOM 588 NH1 ARG A 41 -7.880 -4.905 -4.370 1.00 0.00 N ATOM 589 NH2 ARG A 41 -8.011 -5.577 -2.175 1.00 0.00 N ATOM 0 H ARG A 41 -2.232 -6.141 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.179 -3.881 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.697 -5.070 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.283 -4.372 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.356 -6.367 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.925 -7.074 -4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.662 -6.542 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.001 -8.043 -5.096 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.319 -7.266 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.486 -5.013 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.562 -4.170 -4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.718 -6.200 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.693 -4.841 -1.992 1.00 0.00 H new ATOM 603 N ILE A 42 -3.093 -2.217 -3.768 1.00 0.00 N ATOM 604 CA ILE A 42 -2.659 -1.239 -2.774 1.00 0.00 C ATOM 605 C ILE A 42 -3.709 -0.192 -2.474 1.00 0.00 C ATOM 606 O ILE A 42 -3.934 0.690 -3.279 1.00 0.00 O ATOM 607 CB ILE A 42 -1.369 -0.541 -3.244 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.349 -1.582 -3.684 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.798 0.330 -2.135 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.833 -1.006 -4.409 1.00 0.00 C ATOM 0 H ILE A 42 -3.610 -1.834 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.479 -1.795 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.605 0.102 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.004 -2.124 -2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.841 -2.308 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.113 0.815 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.529 1.089 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.569 -0.289 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.514 -1.809 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.493 -0.488 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.351 -0.302 -3.758 1.00 0.00 H new ATOM 622 N VAL A 43 -4.293 -0.244 -1.285 1.00 0.00 N ATOM 623 CA VAL A 43 -5.317 0.729 -0.920 1.00 0.00 C ATOM 624 C VAL A 43 -4.797 1.681 0.138 1.00 0.00 C ATOM 625 O VAL A 43 -4.572 1.301 1.281 1.00 0.00 O ATOM 626 CB VAL A 43 -6.624 0.077 -0.414 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.580 1.131 0.111 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.289 -0.722 -1.517 1.00 0.00 C ATOM 0 H VAL A 43 -4.081 -0.936 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.552 1.272 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.367 -0.600 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.493 0.651 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.112 1.668 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.822 1.832 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.207 -1.172 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.526 -0.062 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.613 -1.507 -1.856 1.00 0.00 H new ATOM 638 N TYR A 44 -4.602 2.917 -0.257 1.00 0.00 N ATOM 639 CA TYR A 44 -4.175 3.949 0.651 1.00 0.00 C ATOM 640 C TYR A 44 -5.265 4.972 0.800 1.00 0.00 C ATOM 641 O TYR A 44 -5.796 5.499 -0.186 1.00 0.00 O ATOM 642 CB TYR A 44 -2.854 4.585 0.202 1.00 0.00 C ATOM 643 CG TYR A 44 -2.721 4.759 -1.293 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.489 3.661 -2.112 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.810 6.011 -1.882 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.347 3.800 -3.472 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.673 6.163 -3.246 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.440 5.057 -4.036 1.00 0.00 C ATOM 649 OH TYR A 44 -2.297 5.215 -5.392 1.00 0.00 O ATOM 0 H TYR A 44 -4.736 3.233 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.985 3.501 1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.754 5.560 0.679 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.029 3.969 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.419 2.678 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.989 6.879 -1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.165 2.935 -4.093 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.748 7.143 -3.693 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.392 6.163 -5.623 1.00 0.00 H new ATOM 659 N SER A 45 -5.622 5.197 2.043 1.00 0.00 N ATOM 660 CA SER A 45 -6.754 6.041 2.375 1.00 0.00 C ATOM 661 C SER A 45 -6.434 6.952 3.554 1.00 0.00 C ATOM 662 O SER A 45 -5.704 6.570 4.462 1.00 0.00 O ATOM 663 CB SER A 45 -7.957 5.156 2.704 1.00 0.00 C ATOM 664 OG SER A 45 -8.184 4.214 1.666 1.00 0.00 O ATOM 0 H SER A 45 -5.141 4.804 2.852 1.00 0.00 H new ATOM 0 HA SER A 45 -6.984 6.675 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.784 4.634 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.844 5.775 2.841 1.00 0.00 H new ATOM 0 HG SER A 45 -8.956 3.655 1.894 1.00 0.00 H new ATOM 670 N PRO A 46 -6.980 8.174 3.539 1.00 0.00 N ATOM 671 CA PRO A 46 -6.789 9.161 4.614 1.00 0.00 C ATOM 672 C PRO A 46 -7.436 8.715 5.916 1.00 0.00 C ATOM 673 O PRO A 46 -8.398 7.946 5.915 1.00 0.00 O ATOM 674 CB PRO A 46 -7.508 10.395 4.076 1.00 0.00 C ATOM 675 CG PRO A 46 -8.523 9.850 3.139 1.00 0.00 C ATOM 676 CD PRO A 46 -7.854 8.691 2.474 1.00 0.00 C ATOM 0 HA PRO A 46 -5.736 9.320 4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.974 10.965 4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.817 11.067 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.421 9.535 3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.830 10.600 2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.574 7.943 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.286 8.999 1.596 1.00 0.00 H new ATOM 744 N SER A 52 -8.494 8.585 -1.538 1.00 0.00 N ATOM 745 CA SER A 52 -8.109 7.185 -1.419 1.00 0.00 C ATOM 746 C SER A 52 -7.874 6.595 -2.797 1.00 0.00 C ATOM 747 O SER A 52 -8.584 6.924 -3.751 1.00 0.00 O ATOM 748 CB SER A 52 -9.199 6.387 -0.700 1.00 0.00 C ATOM 749 OG SER A 52 -9.634 7.055 0.472 1.00 0.00 O ATOM 0 HA SER A 52 -7.189 7.128 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.045 6.235 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.818 5.400 -0.439 1.00 0.00 H new ATOM 0 HG SER A 52 -9.556 8.024 0.344 1.00 0.00 H new ATOM 755 N THR A 53 -6.874 5.743 -2.914 1.00 0.00 N ATOM 756 CA THR A 53 -6.554 5.144 -4.198 1.00 0.00 C ATOM 757 C THR A 53 -6.016 3.722 -4.030 1.00 0.00 C ATOM 758 O THR A 53 -5.434 3.388 -2.998 1.00 0.00 O ATOM 759 CB THR A 53 -5.540 6.023 -4.964 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.083 7.338 -5.150 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.194 5.431 -6.320 1.00 0.00 C ATOM 0 H THR A 53 -6.273 5.451 -2.144 1.00 0.00 H new ATOM 0 HA THR A 53 -7.474 5.084 -4.780 1.00 0.00 H new ATOM 0 HB THR A 53 -4.628 6.070 -4.369 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.437 7.893 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.479 6.078 -6.828 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.756 4.442 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.099 5.348 -6.922 1.00 0.00 H new ATOM 769 N GLU A 54 -6.247 2.893 -5.040 1.00 0.00 N ATOM 770 CA GLU A 54 -5.737 1.543 -5.086 1.00 0.00 C ATOM 771 C GLU A 54 -4.840 1.379 -6.309 1.00 0.00 C ATOM 772 O GLU A 54 -5.268 1.645 -7.433 1.00 0.00 O ATOM 773 CB GLU A 54 -6.895 0.542 -5.144 1.00 0.00 C ATOM 774 CG GLU A 54 -6.453 -0.911 -5.074 1.00 0.00 C ATOM 775 CD GLU A 54 -7.590 -1.877 -5.323 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.357 -2.169 -4.384 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.724 -2.352 -6.469 1.00 0.00 O ATOM 0 H GLU A 54 -6.801 3.150 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.155 1.349 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.579 0.744 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.453 0.699 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.667 -1.084 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.021 -1.109 -4.093 1.00 0.00 H new ATOM 784 N LEU A 55 -3.593 0.981 -6.093 1.00 0.00 N ATOM 785 CA LEU A 55 -2.693 0.704 -7.205 1.00 0.00 C ATOM 786 C LEU A 55 -2.528 -0.791 -7.382 1.00 0.00 C ATOM 787 O LEU A 55 -2.805 -1.565 -6.469 1.00 0.00 O ATOM 788 CB LEU A 55 -1.323 1.404 -7.047 1.00 0.00 C ATOM 789 CG LEU A 55 -1.395 2.929 -7.131 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.023 3.539 -7.337 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.342 3.375 -8.236 1.00 0.00 C ATOM 0 H LEU A 55 -3.185 0.844 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.147 1.118 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.890 1.123 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.648 1.038 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.785 3.286 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.112 4.624 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.624 3.270 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.407 3.163 -8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.372 4.464 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.991 2.990 -9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.342 2.990 -8.035 1.00 0.00 H new ATOM 803 N ASN A 56 -2.134 -1.193 -8.574 1.00 0.00 N ATOM 804 CA ASN A 56 -1.887 -2.592 -8.864 1.00 0.00 C ATOM 805 C ASN A 56 -0.457 -2.754 -9.339 1.00 0.00 C ATOM 806 O ASN A 56 -0.082 -2.238 -10.391 1.00 0.00 O ATOM 807 CB ASN A 56 -2.867 -3.110 -9.920 1.00 0.00 C ATOM 808 CG ASN A 56 -2.678 -4.585 -10.222 1.00 0.00 C ATOM 809 OD1 ASN A 56 -1.911 -4.960 -11.109 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.388 -5.433 -9.493 1.00 0.00 N ATOM 0 H ASN A 56 -1.977 -0.566 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.037 -3.178 -7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.888 -2.942 -9.576 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.742 -2.536 -10.838 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.310 -6.437 -9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.013 -5.082 -8.767 1.00 0.00 H new ATOM 817 N LEU A 57 0.340 -3.455 -8.560 1.00 0.00 N ATOM 818 CA LEU A 57 1.747 -3.606 -8.852 1.00 0.00 C ATOM 819 C LEU A 57 2.020 -5.044 -9.231 1.00 0.00 C ATOM 820 O LEU A 57 1.235 -5.933 -8.912 1.00 0.00 O ATOM 821 CB LEU A 57 2.616 -3.187 -7.647 1.00 0.00 C ATOM 822 CG LEU A 57 2.655 -1.696 -7.321 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.023 -1.322 -6.796 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.307 -0.847 -8.522 1.00 0.00 C ATOM 0 H LEU A 57 0.032 -3.932 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 57 2.009 -2.952 -9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.257 -3.720 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.637 -3.523 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 57 1.904 -1.502 -6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.045 -0.257 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.235 -1.894 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.776 -1.545 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.347 0.207 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.021 -1.040 -9.323 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.302 -1.095 -8.864 1.00 0.00 H new ATOM 836 N PRO A 58 3.099 -5.289 -9.969 1.00 0.00 N ATOM 837 CA PRO A 58 3.501 -6.642 -10.317 1.00 0.00 C ATOM 838 C PRO A 58 3.860 -7.454 -9.076 1.00 0.00 C ATOM 839 O PRO A 58 4.285 -6.913 -8.059 1.00 0.00 O ATOM 840 CB PRO A 58 4.724 -6.453 -11.224 1.00 0.00 C ATOM 841 CG PRO A 58 5.179 -5.047 -11.016 1.00 0.00 C ATOM 842 CD PRO A 58 3.987 -4.265 -10.536 1.00 0.00 C ATOM 0 HA PRO A 58 2.699 -7.195 -10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.513 -7.160 -10.967 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.466 -6.629 -12.268 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.986 -5.007 -10.285 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.568 -4.626 -11.943 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.270 -3.523 -9.789 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.506 -3.727 -11.353 1.00 0.00 H new ATOM 850 N GLU A 59 3.634 -8.755 -9.184 1.00 0.00 N ATOM 851 CA GLU A 59 3.971 -9.747 -8.153 1.00 0.00 C ATOM 852 C GLU A 59 5.358 -9.532 -7.549 1.00 0.00 C ATOM 853 O GLU A 59 5.602 -9.876 -6.397 1.00 0.00 O ATOM 854 CB GLU A 59 3.917 -11.141 -8.781 1.00 0.00 C ATOM 855 CG GLU A 59 4.787 -11.271 -10.025 1.00 0.00 C ATOM 856 CD GLU A 59 4.722 -12.644 -10.657 1.00 0.00 C ATOM 857 OE1 GLU A 59 3.816 -12.883 -11.484 1.00 0.00 O ATOM 858 OE2 GLU A 59 5.591 -13.485 -10.346 1.00 0.00 O ATOM 0 H GLU A 59 3.200 -9.169 -10.009 1.00 0.00 H new ATOM 0 HA GLU A 59 3.247 -9.639 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.236 -11.878 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.885 -11.376 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.476 -10.526 -10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.821 -11.048 -9.762 1.00 0.00 H new ATOM 865 N THR A 60 6.250 -8.965 -8.337 1.00 0.00 N ATOM 866 CA THR A 60 7.634 -8.794 -7.938 1.00 0.00 C ATOM 867 C THR A 60 7.940 -7.328 -7.618 1.00 0.00 C ATOM 868 O THR A 60 9.099 -6.909 -7.602 1.00 0.00 O ATOM 869 CB THR A 60 8.582 -9.315 -9.043 1.00 0.00 C ATOM 870 OG1 THR A 60 9.951 -9.153 -8.656 1.00 0.00 O ATOM 871 CG2 THR A 60 8.330 -8.596 -10.361 1.00 0.00 C ATOM 0 H THR A 60 6.037 -8.611 -9.269 1.00 0.00 H new ATOM 0 HA THR A 60 7.798 -9.377 -7.032 1.00 0.00 H new ATOM 0 HB THR A 60 8.378 -10.377 -9.180 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.036 -8.369 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.010 -8.981 -11.121 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.300 -8.764 -10.676 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.499 -7.527 -10.231 1.00 0.00 H new ATOM 879 N ALA A 61 6.897 -6.552 -7.361 1.00 0.00 N ATOM 880 CA ALA A 61 7.066 -5.147 -7.027 1.00 0.00 C ATOM 881 C ALA A 61 7.406 -5.004 -5.558 1.00 0.00 C ATOM 882 O ALA A 61 7.030 -5.851 -4.747 1.00 0.00 O ATOM 883 CB ALA A 61 5.810 -4.360 -7.350 1.00 0.00 C ATOM 0 H ALA A 61 5.928 -6.871 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 61 7.884 -4.746 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.961 -3.312 -7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.592 -4.443 -8.415 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.973 -4.758 -6.776 1.00 0.00 H new ATOM 889 N ASN A 62 8.109 -3.941 -5.212 1.00 0.00 N ATOM 890 CA ASN A 62 8.540 -3.746 -3.840 1.00 0.00 C ATOM 891 C ASN A 62 8.253 -2.339 -3.351 1.00 0.00 C ATOM 892 O ASN A 62 8.649 -1.983 -2.250 1.00 0.00 O ATOM 893 CB ASN A 62 10.038 -4.013 -3.697 1.00 0.00 C ATOM 894 CG ASN A 62 10.893 -2.966 -4.398 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.504 -2.408 -5.427 1.00 0.00 O ATOM 896 ND2 ASN A 62 12.060 -2.688 -3.845 1.00 0.00 N ATOM 0 H ASN A 62 8.392 -3.204 -5.857 1.00 0.00 H new ATOM 0 HA ASN A 62 7.975 -4.454 -3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.298 -4.039 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.268 -4.997 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.672 -1.992 -4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.349 -3.170 -2.994 1.00 0.00 H new ATOM 903 N SER A 63 7.574 -1.534 -4.150 1.00 0.00 N ATOM 904 CA SER A 63 7.366 -0.149 -3.774 1.00 0.00 C ATOM 905 C SER A 63 6.299 0.517 -4.631 1.00 0.00 C ATOM 906 O SER A 63 6.307 0.389 -5.854 1.00 0.00 O ATOM 907 CB SER A 63 8.687 0.614 -3.908 1.00 0.00 C ATOM 908 OG SER A 63 9.248 0.438 -5.201 1.00 0.00 O ATOM 0 H SER A 63 7.166 -1.808 -5.044 1.00 0.00 H new ATOM 0 HA SER A 63 7.020 -0.127 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.519 1.675 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.391 0.266 -3.152 1.00 0.00 H new ATOM 0 HG SER A 63 9.643 -0.457 -5.267 1.00 0.00 H new ATOM 914 N VAL A 64 5.395 1.242 -3.988 1.00 0.00 N ATOM 915 CA VAL A 64 4.378 1.996 -4.711 1.00 0.00 C ATOM 916 C VAL A 64 4.581 3.488 -4.502 1.00 0.00 C ATOM 917 O VAL A 64 4.856 3.935 -3.379 1.00 0.00 O ATOM 918 CB VAL A 64 2.929 1.633 -4.302 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.723 1.749 -2.816 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.947 2.497 -5.033 1.00 0.00 C ATOM 0 H VAL A 64 5.344 1.325 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 64 4.500 1.727 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 64 2.761 0.592 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.694 1.486 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.404 1.072 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.921 2.773 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.934 2.229 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.132 3.543 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.060 2.348 -6.107 1.00 0.00 H new ATOM 930 N THR A 65 4.486 4.246 -5.583 1.00 0.00 N ATOM 931 CA THR A 65 4.434 5.674 -5.504 1.00 0.00 C ATOM 932 C THR A 65 2.977 6.127 -5.576 1.00 0.00 C ATOM 933 O THR A 65 2.373 6.192 -6.650 1.00 0.00 O ATOM 934 CB THR A 65 5.245 6.273 -6.654 1.00 0.00 C ATOM 935 OG1 THR A 65 6.631 5.937 -6.492 1.00 0.00 O ATOM 936 CG2 THR A 65 5.086 7.787 -6.738 1.00 0.00 C ATOM 0 H THR A 65 4.444 3.877 -6.533 1.00 0.00 H new ATOM 0 HA THR A 65 4.861 6.016 -4.561 1.00 0.00 H new ATOM 0 HB THR A 65 4.865 5.851 -7.584 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.149 6.320 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.679 8.170 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.036 8.034 -6.897 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.429 8.241 -5.808 1.00 0.00 H new ATOM 944 N LEU A 66 2.422 6.411 -4.415 1.00 0.00 N ATOM 945 CA LEU A 66 1.054 6.876 -4.286 1.00 0.00 C ATOM 946 C LEU A 66 0.980 8.312 -4.746 1.00 0.00 C ATOM 947 O LEU A 66 1.905 9.089 -4.489 1.00 0.00 O ATOM 948 CB LEU A 66 0.597 6.808 -2.837 1.00 0.00 C ATOM 949 CG LEU A 66 1.303 5.777 -1.971 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.068 6.075 -0.517 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.821 4.386 -2.315 1.00 0.00 C ATOM 0 H LEU A 66 2.912 6.325 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 66 0.410 6.240 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.735 7.790 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.472 6.597 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 66 2.374 5.827 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.578 5.330 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.456 7.066 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.001 6.045 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.335 3.657 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.253 4.320 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.034 4.176 -3.363 1.00 0.00 H new ATOM 963 N SER A 67 -0.122 8.673 -5.372 1.00 0.00 N ATOM 964 CA SER A 67 -0.246 9.978 -5.976 1.00 0.00 C ATOM 965 C SER A 67 -1.659 10.499 -5.784 1.00 0.00 C ATOM 966 O SER A 67 -2.549 9.749 -5.378 1.00 0.00 O ATOM 967 CB SER A 67 0.110 9.904 -7.465 1.00 0.00 C ATOM 968 OG SER A 67 0.263 11.196 -8.025 1.00 0.00 O ATOM 0 H SER A 67 -0.944 8.078 -5.474 1.00 0.00 H new ATOM 0 HA SER A 67 0.447 10.667 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.033 9.339 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.670 9.364 -8.001 1.00 0.00 H new ATOM 0 HG SER A 67 0.491 11.116 -8.975 1.00 0.00 H new ATOM 974 N ASP A 68 -1.843 11.786 -6.059 1.00 0.00 N ATOM 975 CA ASP A 68 -3.128 12.455 -5.891 1.00 0.00 C ATOM 976 C ASP A 68 -3.565 12.449 -4.434 1.00 0.00 C ATOM 977 O ASP A 68 -4.757 12.493 -4.130 1.00 0.00 O ATOM 978 CB ASP A 68 -4.204 11.827 -6.787 1.00 0.00 C ATOM 979 CG ASP A 68 -3.988 12.139 -8.254 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.292 13.279 -8.671 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.507 11.254 -9.000 1.00 0.00 O ATOM 0 H ASP A 68 -1.103 12.396 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.000 13.493 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.206 10.746 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.185 12.191 -6.482 1.00 0.00 H new ATOM 986 N LEU A 69 -2.587 12.403 -3.531 1.00 0.00 N ATOM 987 CA LEU A 69 -2.856 12.542 -2.105 1.00 0.00 C ATOM 988 C LEU A 69 -3.246 13.983 -1.807 1.00 0.00 C ATOM 989 O LEU A 69 -3.417 14.791 -2.712 1.00 0.00 O ATOM 990 CB LEU A 69 -1.645 12.176 -1.236 1.00 0.00 C ATOM 991 CG LEU A 69 -0.845 10.953 -1.644 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.337 10.788 -0.715 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.730 9.728 -1.580 1.00 0.00 C ATOM 0 H LEU A 69 -1.603 12.271 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.664 11.852 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.970 13.032 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.995 12.026 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.481 11.077 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.911 9.909 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.972 11.672 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.019 10.664 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.156 8.849 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.099 9.598 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.574 9.853 -2.258 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.421 14.295 -0.540 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.703 15.658 -0.135 1.00 0.00 C ATOM 1007 C GLN A 70 -2.654 16.117 0.862 1.00 0.00 C ATOM 1008 O GLN A 70 -2.328 15.382 1.795 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.080 15.757 0.506 1.00 0.00 C ATOM 1010 CG GLN A 70 -6.217 15.247 -0.357 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.576 16.205 -1.475 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -6.423 17.420 -1.340 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.070 15.671 -2.579 1.00 0.00 N ATOM 0 H GLN A 70 -3.373 13.625 0.227 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.682 16.293 -1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.072 15.197 1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.274 16.799 0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.940 14.283 -0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.094 15.078 0.267 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.181 14.660 -2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.340 16.270 -3.359 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.103 17.325 0.677 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.115 17.889 1.599 1.00 0.00 C ATOM 1024 C PRO A 71 -1.696 18.124 2.991 1.00 0.00 C ATOM 1025 O PRO A 71 -2.732 18.777 3.142 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.717 19.212 0.951 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.831 19.546 0.017 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.395 18.233 -0.446 1.00 0.00 C ATOM 0 HA PRO A 71 -0.272 17.215 1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.585 19.993 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.229 19.119 0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.593 20.143 0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.469 20.134 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.465 18.301 -0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.924 17.896 -1.369 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.033 17.575 4.001 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.498 17.728 5.364 1.00 0.00 C ATOM 1038 C GLY A 72 -2.578 16.726 5.703 1.00 0.00 C ATOM 1039 O GLY A 72 -3.556 17.056 6.375 1.00 0.00 O ATOM 0 H GLY A 72 -0.180 17.025 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.660 17.606 6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.882 18.738 5.506 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.410 15.504 5.218 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.376 14.443 5.451 1.00 0.00 C ATOM 1045 C VAL A 73 -2.673 13.137 5.802 1.00 0.00 C ATOM 1046 O VAL A 73 -1.651 12.784 5.206 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.294 14.227 4.222 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.164 13.007 4.378 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.193 15.409 3.986 1.00 0.00 C ATOM 0 H VAL A 73 -1.606 15.223 4.656 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.996 14.753 6.292 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.625 14.094 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.792 12.892 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.535 12.124 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.795 13.121 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.822 15.220 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.823 15.567 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.587 16.298 3.810 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.225 12.436 6.782 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.685 11.178 7.242 1.00 0.00 C ATOM 1061 C GLN A 74 -3.126 10.060 6.312 1.00 0.00 C ATOM 1062 O GLN A 74 -4.321 9.830 6.146 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.203 10.930 8.653 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.250 10.160 9.551 1.00 0.00 C ATOM 1065 CD GLN A 74 -2.033 8.737 9.092 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -1.010 8.529 8.286 1.00 0.00 O flip ATOM 1067 NE2 GLN A 74 -2.770 7.833 9.470 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.065 12.731 7.279 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.595 11.208 7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.424 11.890 9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.144 10.383 8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.291 10.677 9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.642 10.153 10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.550 8.038 10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.603 6.876 9.161 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.174 9.372 5.704 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.503 8.314 4.765 1.00 0.00 C ATOM 1078 C TYR A 75 -2.088 6.943 5.268 1.00 0.00 C ATOM 1079 O TYR A 75 -0.914 6.677 5.511 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.883 8.592 3.398 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.724 9.536 2.578 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -3.826 9.068 1.878 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -2.442 10.891 2.526 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -4.618 9.922 1.144 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.233 11.754 1.796 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.321 11.264 1.105 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.122 12.119 0.383 1.00 0.00 O ATOM 0 H TYR A 75 -1.175 9.525 5.842 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.588 8.305 4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.888 9.016 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.760 7.653 2.858 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.067 8.016 1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.590 11.278 3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.469 9.539 0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.001 12.808 1.766 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.371 12.884 0.942 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.080 6.095 5.449 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.869 4.698 5.766 1.00 0.00 C ATOM 1099 C ASN A 76 -2.679 3.917 4.469 1.00 0.00 C ATOM 1100 O ASN A 76 -3.617 3.787 3.675 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.083 4.137 6.520 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.546 5.026 7.660 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -4.064 4.754 8.862 1.00 0.00 O flip ATOM 1104 ND2 ASN A 76 -5.347 5.940 7.465 1.00 0.00 N flip ATOM 0 H ASN A 76 -4.063 6.359 5.380 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.984 4.603 6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.906 4.000 5.818 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.833 3.152 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -5.697 6.120 6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.661 6.518 8.245 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.468 3.435 4.235 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.181 2.619 3.064 1.00 0.00 C ATOM 1113 C ILE A 77 -1.351 1.157 3.403 1.00 0.00 C ATOM 1114 O ILE A 77 -0.721 0.642 4.325 1.00 0.00 O ATOM 1115 CB ILE A 77 0.250 2.835 2.517 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.471 4.263 2.052 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.556 1.896 1.361 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.907 5.221 3.140 1.00 0.00 C ATOM 0 H ILE A 77 -0.665 3.595 4.843 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.885 2.926 2.291 1.00 0.00 H new ATOM 0 HB ILE A 77 0.923 2.621 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.224 4.262 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.453 4.634 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.570 2.077 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.470 0.863 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.152 2.073 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.041 6.216 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.146 5.257 3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.849 4.880 3.569 1.00 0.00 H new ATOM 1130 N THR A 78 -2.223 0.507 2.674 1.00 0.00 N ATOM 1131 CA THR A 78 -2.484 -0.885 2.872 1.00 0.00 C ATOM 1132 C THR A 78 -1.984 -1.707 1.684 1.00 0.00 C ATOM 1133 O THR A 78 -2.500 -1.573 0.566 1.00 0.00 O ATOM 1134 CB THR A 78 -3.984 -1.099 3.071 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.444 -0.270 4.147 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.299 -2.554 3.374 1.00 0.00 C ATOM 0 H THR A 78 -2.770 0.935 1.927 1.00 0.00 H new ATOM 0 HA THR A 78 -1.950 -1.220 3.761 1.00 0.00 H new ATOM 0 HB THR A 78 -4.495 -0.829 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.406 -0.404 4.275 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.374 -2.673 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.967 -3.178 2.545 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.782 -2.856 4.285 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.981 -2.554 1.933 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.415 -3.392 0.865 1.00 0.00 C ATOM 1146 C ILE A 79 -1.066 -4.771 0.895 1.00 0.00 C ATOM 1147 O ILE A 79 -1.149 -5.409 1.939 1.00 0.00 O ATOM 1148 CB ILE A 79 1.130 -3.607 0.940 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.936 -2.332 1.141 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.639 -4.256 -0.320 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.552 -1.185 0.248 1.00 0.00 C ATOM 0 H ILE A 79 -0.548 -2.679 2.848 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.621 -2.845 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 79 1.272 -4.241 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.831 -2.015 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.990 -2.559 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.717 -4.397 -0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.155 -5.224 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.414 -3.618 -1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.184 -0.325 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.685 -1.475 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.508 -0.923 0.421 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.523 -5.213 -0.252 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.130 -6.520 -0.404 1.00 0.00 C ATOM 1165 C TYR A 80 -1.300 -7.352 -1.374 1.00 0.00 C ATOM 1166 O TYR A 80 -1.232 -7.033 -2.560 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.541 -6.397 -0.990 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.489 -5.482 -0.244 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -5.267 -5.968 0.798 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -4.636 -4.143 -0.605 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -6.165 -5.155 1.458 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -5.527 -3.325 0.058 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.292 -3.834 1.086 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.191 -3.022 1.740 1.00 0.00 O ATOM 0 H TYR A 80 -1.485 -4.673 -1.116 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.176 -6.989 0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.457 -6.042 -2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.984 -7.392 -1.032 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.167 -7.001 1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.044 -3.741 -1.414 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.766 -5.552 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.625 -2.288 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.293 -3.326 2.666 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.669 -8.405 -0.890 1.00 0.00 N ATOM 1185 CA ALA A 81 0.026 -9.320 -1.780 1.00 0.00 C ATOM 1186 C ALA A 81 -0.942 -10.391 -2.233 1.00 0.00 C ATOM 1187 O ALA A 81 -1.583 -11.048 -1.408 1.00 0.00 O ATOM 1188 CB ALA A 81 1.249 -9.937 -1.099 1.00 0.00 C ATOM 0 H ALA A 81 -0.622 -8.647 0.100 1.00 0.00 H new ATOM 0 HA ALA A 81 0.390 -8.769 -2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.747 -10.616 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.940 -9.146 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.933 -10.488 -0.214 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.068 -10.550 -3.539 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.080 -11.455 -4.071 1.00 0.00 C ATOM 1196 C VAL A 82 -1.468 -12.590 -4.871 1.00 0.00 C ATOM 1197 O VAL A 82 -0.586 -12.372 -5.694 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.132 -10.710 -4.933 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.509 -10.003 -6.115 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.205 -11.664 -5.420 1.00 0.00 C ATOM 0 H VAL A 82 -0.498 -10.077 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.586 -11.881 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.582 -9.955 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.286 -9.497 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.784 -9.270 -5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.007 -10.732 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.931 -11.118 -6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.748 -12.448 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.708 -12.113 -4.564 1.00 0.00 H new ATOM 1210 N GLU A 83 -1.942 -13.799 -4.596 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.595 -14.979 -5.363 1.00 0.00 C ATOM 1212 C GLU A 83 -2.725 -15.296 -6.327 1.00 0.00 C ATOM 1213 O GLU A 83 -3.778 -14.656 -6.297 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.360 -16.221 -4.510 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.700 -16.020 -3.173 1.00 0.00 C ATOM 1216 CD GLU A 83 -0.561 -17.346 -2.450 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -1.604 -17.942 -2.096 1.00 0.00 O ATOM 1218 OE2 GLU A 83 0.577 -17.825 -2.272 1.00 0.00 O ATOM 0 H GLU A 83 -2.584 -13.985 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.661 -14.744 -5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.323 -16.703 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.751 -16.917 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.282 -15.568 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.288 -15.329 -2.570 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.471 -16.276 -7.178 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.379 -16.705 -8.240 1.00 0.00 C ATOM 1227 C GLU A 84 -4.867 -16.613 -7.870 1.00 0.00 C ATOM 1228 O GLU A 84 -5.664 -16.131 -8.671 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.022 -18.134 -8.644 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.528 -18.327 -8.863 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.177 -19.700 -9.386 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.256 -20.677 -8.615 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -0.812 -19.811 -10.573 1.00 0.00 O ATOM 0 H GLU A 84 -1.604 -16.813 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.244 -16.015 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.363 -18.822 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.555 -18.393 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.170 -17.575 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.004 -18.159 -7.922 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.257 -17.052 -6.672 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.682 -17.042 -6.324 1.00 0.00 C ATOM 1242 C ASN A 85 -6.979 -16.502 -4.919 1.00 0.00 C ATOM 1243 O ASN A 85 -8.137 -16.496 -4.504 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.285 -18.445 -6.468 1.00 0.00 C ATOM 1245 CG ASN A 85 -6.713 -19.444 -5.478 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -5.718 -20.113 -5.759 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -7.341 -19.560 -4.317 1.00 0.00 N ATOM 0 H ASN A 85 -4.633 -17.408 -5.948 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.147 -16.354 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.365 -18.385 -6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.111 -18.807 -7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.003 -20.222 -3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.162 -18.987 -4.122 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.973 -16.050 -4.178 1.00 0.00 N ATOM 1255 CA GLN A 86 -6.224 -15.549 -2.830 1.00 0.00 C ATOM 1256 C GLN A 86 -5.282 -14.410 -2.473 1.00 0.00 C ATOM 1257 O GLN A 86 -4.404 -14.067 -3.244 1.00 0.00 O ATOM 1258 CB GLN A 86 -6.084 -16.680 -1.822 1.00 0.00 C ATOM 1259 CG GLN A 86 -4.651 -17.087 -1.532 1.00 0.00 C ATOM 1260 CD GLN A 86 -4.572 -18.177 -0.487 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -5.437 -18.279 0.384 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -3.528 -18.979 -0.543 1.00 0.00 N ATOM 0 H GLN A 86 -4.998 -16.019 -4.477 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.242 -15.160 -2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.560 -16.379 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.628 -17.549 -2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.179 -17.432 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.089 -16.217 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.834 -18.861 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.414 -19.717 0.151 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.477 -13.829 -1.299 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.649 -12.718 -0.843 1.00 0.00 C ATOM 1273 C GLU A 87 -4.067 -13.008 0.532 1.00 0.00 C ATOM 1274 O GLU A 87 -4.629 -13.793 1.301 1.00 0.00 O ATOM 1275 CB GLU A 87 -5.471 -11.432 -0.780 1.00 0.00 C ATOM 1276 CG GLU A 87 -5.873 -10.894 -2.139 1.00 0.00 C ATOM 1277 CD GLU A 87 -6.839 -9.737 -2.032 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -6.394 -8.599 -1.776 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -8.056 -9.965 -2.199 1.00 0.00 O ATOM 0 H GLU A 87 -6.204 -14.109 -0.641 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.834 -12.594 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.370 -11.615 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.896 -10.670 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.982 -10.573 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.329 -11.693 -2.724 1.00 0.00 H new ATOM 1286 N SER A 88 -2.945 -12.375 0.831 1.00 0.00 N ATOM 1287 CA SER A 88 -2.318 -12.499 2.138 1.00 0.00 C ATOM 1288 C SER A 88 -2.921 -11.493 3.117 1.00 0.00 C ATOM 1289 O SER A 88 -3.880 -10.791 2.784 1.00 0.00 O ATOM 1290 CB SER A 88 -0.815 -12.258 2.017 1.00 0.00 C ATOM 1291 OG SER A 88 -0.241 -13.082 1.019 1.00 0.00 O ATOM 0 H SER A 88 -2.446 -11.766 0.182 1.00 0.00 H new ATOM 0 HA SER A 88 -2.495 -13.506 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.631 -11.211 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.334 -12.455 2.975 1.00 0.00 H new ATOM 0 HG SER A 88 0.721 -12.905 0.962 1.00 0.00 H new ATOM 1297 N THR A 89 -2.367 -11.437 4.322 1.00 0.00 N ATOM 1298 CA THR A 89 -2.750 -10.426 5.294 1.00 0.00 C ATOM 1299 C THR A 89 -2.418 -9.026 4.769 1.00 0.00 C ATOM 1300 O THR A 89 -1.611 -8.874 3.851 1.00 0.00 O ATOM 1301 CB THR A 89 -2.041 -10.674 6.640 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.712 -11.164 6.417 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.818 -11.665 7.492 1.00 0.00 C ATOM 0 H THR A 89 -1.649 -12.083 4.648 1.00 0.00 H new ATOM 0 HA THR A 89 -3.826 -10.492 5.452 1.00 0.00 H new ATOM 0 HB THR A 89 -1.991 -9.725 7.174 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.271 -11.316 7.279 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.295 -11.822 8.436 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.815 -11.271 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.901 -12.614 6.962 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.068 -7.986 5.299 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.841 -6.623 4.848 1.00 0.00 C ATOM 1313 C PRO A 90 -1.687 -5.921 5.569 1.00 0.00 C ATOM 1314 O PRO A 90 -1.493 -6.073 6.777 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.170 -5.943 5.174 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.682 -6.660 6.381 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.094 -8.048 6.357 1.00 0.00 C ATOM 0 HA PRO A 90 -2.553 -6.587 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.032 -4.881 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.869 -6.022 4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.393 -6.135 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.771 -6.703 6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.658 -8.313 7.320 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.852 -8.798 6.133 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.925 -5.168 4.796 1.00 0.00 N ATOM 1326 CA VAL A 91 0.041 -4.219 5.321 1.00 0.00 C ATOM 1327 C VAL A 91 -0.679 -2.939 5.653 1.00 0.00 C ATOM 1328 O VAL A 91 -1.334 -2.390 4.778 1.00 0.00 O ATOM 1329 CB VAL A 91 1.082 -3.835 4.268 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.744 -2.525 4.655 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.118 -4.918 4.072 1.00 0.00 C ATOM 0 H VAL A 91 -0.959 -5.198 3.777 1.00 0.00 H new ATOM 0 HA VAL A 91 0.521 -4.684 6.182 1.00 0.00 H new ATOM 0 HB VAL A 91 0.566 -3.713 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.485 -2.255 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.989 -1.741 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.234 -2.637 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.836 -4.602 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.638 -5.099 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.628 -5.835 3.746 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.559 -2.449 6.871 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.089 -1.137 7.178 1.00 0.00 C ATOM 1343 C VAL A 92 0.005 -0.256 7.769 1.00 0.00 C ATOM 1344 O VAL A 92 0.419 -0.437 8.916 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.292 -1.195 8.140 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -3.013 0.142 8.153 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.248 -2.311 7.746 1.00 0.00 C ATOM 0 H VAL A 92 -0.108 -2.929 7.650 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.445 -0.709 6.241 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.922 -1.406 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.861 0.091 8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.327 0.922 8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.368 0.373 7.149 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.089 -2.332 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.616 -2.135 6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.725 -3.267 7.781 1.00 0.00 H new ATOM 1357 N ILE A 93 0.469 0.688 6.966 1.00 0.00 N ATOM 1358 CA ILE A 93 1.508 1.627 7.372 1.00 0.00 C ATOM 1359 C ILE A 93 1.021 3.054 7.177 1.00 0.00 C ATOM 1360 O ILE A 93 0.742 3.476 6.057 1.00 0.00 O ATOM 1361 CB ILE A 93 2.815 1.418 6.572 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.518 1.246 5.086 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.578 0.216 7.107 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.703 1.551 4.212 1.00 0.00 C ATOM 0 H ILE A 93 0.136 0.827 6.012 1.00 0.00 H new ATOM 0 HA ILE A 93 1.722 1.445 8.425 1.00 0.00 H new ATOM 0 HB ILE A 93 3.437 2.305 6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.192 0.222 4.902 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.691 1.899 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.495 0.082 6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.826 0.380 8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.960 -0.677 7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.430 1.411 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.016 2.583 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.524 0.880 4.465 1.00 0.00 H new ATOM 1376 N GLN A 94 0.900 3.796 8.259 1.00 0.00 N ATOM 1377 CA GLN A 94 0.351 5.138 8.177 1.00 0.00 C ATOM 1378 C GLN A 94 1.459 6.193 8.168 1.00 0.00 C ATOM 1379 O GLN A 94 2.368 6.176 8.996 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.639 5.387 9.322 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.002 5.425 10.705 1.00 0.00 C ATOM 1382 CD GLN A 94 -0.992 5.750 11.807 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -2.225 5.299 11.655 1.00 0.00 O flip ATOM 1384 NE2 GLN A 94 -0.642 6.384 12.804 1.00 0.00 N flip ATOM 0 H GLN A 94 1.170 3.499 9.197 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.189 5.223 7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.151 6.333 9.145 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.399 4.605 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.460 4.460 10.913 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.796 6.168 10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.319 6.716 12.886 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.313 6.577 13.547 1.00 0.00 H new ATOM 1393 N GLN A 95 1.378 7.091 7.198 1.00 0.00 N ATOM 1394 CA GLN A 95 2.312 8.198 7.076 1.00 0.00 C ATOM 1395 C GLN A 95 1.548 9.449 6.640 1.00 0.00 C ATOM 1396 O GLN A 95 0.745 9.395 5.710 1.00 0.00 O ATOM 1397 CB GLN A 95 3.400 7.851 6.052 1.00 0.00 C ATOM 1398 CG GLN A 95 4.825 8.040 6.561 1.00 0.00 C ATOM 1399 CD GLN A 95 5.150 9.469 6.964 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.548 10.438 6.294 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 5.955 9.703 7.865 1.00 0.00 N flip ATOM 0 H GLN A 95 0.661 7.072 6.472 1.00 0.00 H new ATOM 0 HA GLN A 95 2.791 8.386 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.272 6.814 5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.258 8.469 5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.984 7.386 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.522 7.724 5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.402 8.933 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.175 10.667 8.114 1.00 0.00 H new ATOM 1410 N GLU A 96 1.762 10.560 7.329 1.00 0.00 N ATOM 1411 CA GLU A 96 1.079 11.804 6.993 1.00 0.00 C ATOM 1412 C GLU A 96 1.918 12.638 6.034 1.00 0.00 C ATOM 1413 O GLU A 96 3.135 12.747 6.181 1.00 0.00 O ATOM 1414 CB GLU A 96 0.757 12.600 8.258 1.00 0.00 C ATOM 1415 CG GLU A 96 0.038 13.912 7.994 1.00 0.00 C ATOM 1416 CD GLU A 96 -0.306 14.650 9.267 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -1.384 14.385 9.842 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.503 15.492 9.706 1.00 0.00 O ATOM 0 H GLU A 96 2.400 10.628 8.122 1.00 0.00 H new ATOM 0 HA GLU A 96 0.141 11.554 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.141 11.986 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.685 12.807 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.665 14.547 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.876 13.715 7.434 1.00 0.00 H new ATOM 1425 N THR A 97 1.253 13.216 5.051 1.00 0.00 N ATOM 1426 CA THR A 97 1.912 13.982 4.011 1.00 0.00 C ATOM 1427 C THR A 97 2.499 15.284 4.553 1.00 0.00 C ATOM 1428 O THR A 97 1.794 16.098 5.151 1.00 0.00 O ATOM 1429 CB THR A 97 0.916 14.302 2.885 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.259 14.902 3.441 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.531 13.038 2.132 1.00 0.00 C ATOM 0 H THR A 97 0.239 13.167 4.952 1.00 0.00 H new ATOM 0 HA THR A 97 2.731 13.375 3.624 1.00 0.00 H new ATOM 0 HB THR A 97 1.390 14.993 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.864 15.168 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.175 13.287 1.339 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.423 12.589 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.068 12.331 2.821 1.00 0.00 H new ATOM 1439 N THR A 98 3.796 15.471 4.333 1.00 0.00 N ATOM 1440 CA THR A 98 4.485 16.684 4.745 1.00 0.00 C ATOM 1441 C THR A 98 4.020 17.868 3.901 1.00 0.00 C ATOM 1442 O THR A 98 4.007 19.017 4.353 1.00 0.00 O ATOM 1443 CB THR A 98 6.007 16.512 4.597 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.428 15.341 5.312 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.762 17.727 5.119 1.00 0.00 C ATOM 0 H THR A 98 4.394 14.789 3.867 1.00 0.00 H new ATOM 0 HA THR A 98 4.248 16.875 5.792 1.00 0.00 H new ATOM 0 HB THR A 98 6.233 16.406 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.397 15.230 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.834 17.569 4.998 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.460 18.612 4.558 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.534 17.871 6.175 1.00 0.00 H new