USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 263 THR OG1 : rot 180:sc= 0 USER MOD Single : A 268 TYR OH : rot 180:sc= 0 USER MOD Single : A 269 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 271 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 273 THR OG1 : rot 170:sc= 0 USER MOD Single : A 274 SER OG : rot 31:sc= 0.212 USER MOD Single : A 276 MET CE :methyl -154:sc= -0.243 (180deg=-3.15) USER MOD Single : A 277 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 280 CYS SG : rot 27:sc= -0.069 USER MOD Single : A 283 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.2) USER MOD Single : A 289 LYS NZ :NH3+ -152:sc= 0.058 (180deg=-1.01) USER MOD Single : A 296 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 298 SER OG : rot -82:sc= 0.397 USER MOD Single : A 314 SER OG : rot 180:sc= -1.04 USER MOD Single : A 315 LYS NZ :NH3+ 166:sc= 0.783 (180deg=0.671) USER MOD Single : A 317 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 320 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 322 LYS NZ :NH3+ 160:sc= -2.83! (180deg=-3.92!) USER MOD Single : A 325 SER OG : rot 180:sc= 0 USER MOD Single : A 327 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 THR OG1 : rot 180:sc= 0 USER MOD Single : A 331 THR OG1 : rot 180:sc= 0 USER MOD Single : A 334 SER OG : rot -170:sc= 0.0252 USER MOD Single : A 335 MET CE :methyl 145:sc= -0.757 (180deg=-2.01) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 GLN : amide:sc= 0.544 K(o=0.54,f=-3.6!) USER MOD Single : A 342 THR OG1 : rot -170:sc= -0.787 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 260 8.640 14.791 0.998 1.00 0.00 N ATOM 67 CA GLU A 260 8.445 14.475 2.408 1.00 0.00 C ATOM 68 C GLU A 260 7.217 13.590 2.602 1.00 0.00 C ATOM 69 O GLU A 260 7.312 12.490 3.147 1.00 0.00 O ATOM 70 CB GLU A 260 8.295 15.760 3.225 1.00 0.00 C ATOM 71 CG GLU A 260 9.489 16.693 3.117 1.00 0.00 C ATOM 72 CD GLU A 260 10.638 16.276 4.015 1.00 0.00 C ATOM 73 OE1 GLU A 260 11.391 15.358 3.627 1.00 0.00 O ATOM 74 OE2 GLU A 260 10.784 16.867 5.105 1.00 0.00 O ATOM 0 HA GLU A 260 9.323 13.931 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 260 7.401 16.288 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 260 8.142 15.499 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 260 9.832 16.720 2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 260 9.179 17.705 3.376 1.00 0.00 H new ATOM 81 N GLU A 261 6.065 14.078 2.153 1.00 0.00 N ATOM 82 CA GLU A 261 4.819 13.332 2.278 1.00 0.00 C ATOM 83 C GLU A 261 4.445 12.670 0.955 1.00 0.00 C ATOM 84 O GLU A 261 4.672 13.214 -0.126 1.00 0.00 O ATOM 85 CB GLU A 261 3.689 14.257 2.735 1.00 0.00 C ATOM 86 CG GLU A 261 3.848 14.753 4.162 1.00 0.00 C ATOM 87 CD GLU A 261 4.805 15.924 4.269 1.00 0.00 C ATOM 88 OE1 GLU A 261 4.746 16.819 3.401 1.00 0.00 O ATOM 89 OE2 GLU A 261 5.613 15.945 5.221 1.00 0.00 O ATOM 0 H GLU A 261 5.969 14.987 1.700 1.00 0.00 H new ATOM 0 HA GLU A 261 4.966 12.552 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 261 3.640 15.115 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 261 2.740 13.728 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 261 2.873 15.048 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 261 4.207 13.937 4.789 1.00 0.00 H new ATOM 96 N PRO A 262 3.859 11.467 1.040 1.00 0.00 N ATOM 97 CA PRO A 262 3.442 10.704 -0.140 1.00 0.00 C ATOM 98 C PRO A 262 2.253 11.341 -0.851 1.00 0.00 C ATOM 99 O PRO A 262 1.549 12.176 -0.282 1.00 0.00 O ATOM 100 CB PRO A 262 3.051 9.341 0.439 1.00 0.00 C ATOM 101 CG PRO A 262 2.677 9.623 1.853 1.00 0.00 C ATOM 102 CD PRO A 262 3.558 10.758 2.296 1.00 0.00 C ATOM 0 HA PRO A 262 4.229 10.653 -0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 262 2.219 8.902 -0.111 1.00 0.00 H new ATOM 0 HB3 PRO A 262 3.879 8.634 0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 262 1.624 9.893 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 262 2.828 8.744 2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 262 3.050 11.405 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 262 4.465 10.397 2.781 1.00 0.00 H new ATOM 110 N THR A 263 2.033 10.941 -2.100 1.00 0.00 N ATOM 111 CA THR A 263 0.930 11.474 -2.890 1.00 0.00 C ATOM 112 C THR A 263 -0.207 10.464 -2.997 1.00 0.00 C ATOM 113 O THR A 263 0.025 9.276 -3.223 1.00 0.00 O ATOM 114 CB THR A 263 1.390 11.864 -4.307 1.00 0.00 C ATOM 115 OG1 THR A 263 2.392 12.884 -4.233 1.00 0.00 O ATOM 116 CG2 THR A 263 0.217 12.358 -5.140 1.00 0.00 C ATOM 0 H THR A 263 2.604 10.250 -2.586 1.00 0.00 H new ATOM 0 HA THR A 263 0.574 12.366 -2.374 1.00 0.00 H new ATOM 0 HB THR A 263 1.808 10.979 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 263 2.681 13.125 -5.138 1.00 0.00 H new ATOM 0 HG21 THR A 263 0.566 12.628 -6.137 1.00 0.00 H new ATOM 0 HG22 THR A 263 -0.531 11.569 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 263 -0.226 13.232 -4.662 1.00 0.00 H new ATOM 124 N ILE A 264 -1.436 10.943 -2.834 1.00 0.00 N ATOM 125 CA ILE A 264 -2.608 10.082 -2.915 1.00 0.00 C ATOM 126 C ILE A 264 -2.873 9.647 -4.352 1.00 0.00 C ATOM 127 O ILE A 264 -2.889 10.468 -5.267 1.00 0.00 O ATOM 128 CB ILE A 264 -3.863 10.785 -2.364 1.00 0.00 C ATOM 129 CG1 ILE A 264 -3.621 11.255 -0.928 1.00 0.00 C ATOM 130 CG2 ILE A 264 -5.063 9.853 -2.427 1.00 0.00 C ATOM 131 CD1 ILE A 264 -4.768 12.058 -0.354 1.00 0.00 C ATOM 0 H ILE A 264 -1.645 11.923 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.396 9.204 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 264 -4.074 11.658 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -3.444 10.386 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.715 11.860 -0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -5.942 10.364 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -5.244 9.563 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -4.864 8.963 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -4.528 12.358 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -4.932 12.946 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -5.672 11.449 -0.350 1.00 0.00 H new ATOM 143 N GLY A 265 -3.083 8.347 -4.543 1.00 0.00 N ATOM 144 CA GLY A 265 -3.346 7.825 -5.871 1.00 0.00 C ATOM 145 C GLY A 265 -2.083 7.371 -6.576 1.00 0.00 C ATOM 146 O GLY A 265 -2.144 6.625 -7.553 1.00 0.00 O ATOM 0 H GLY A 265 -3.075 7.647 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -4.039 6.987 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -3.836 8.593 -6.469 1.00 0.00 H new ATOM 150 N ASP A 266 -0.936 7.824 -6.082 1.00 0.00 N ATOM 151 CA ASP A 266 0.347 7.460 -6.672 1.00 0.00 C ATOM 152 C ASP A 266 0.825 6.111 -6.142 1.00 0.00 C ATOM 153 O ASP A 266 0.566 5.758 -4.992 1.00 0.00 O ATOM 154 CB ASP A 266 1.392 8.537 -6.377 1.00 0.00 C ATOM 155 CG ASP A 266 1.429 9.614 -7.443 1.00 0.00 C ATOM 156 OD1 ASP A 266 0.845 9.398 -8.525 1.00 0.00 O ATOM 157 OD2 ASP A 266 2.043 10.673 -7.196 1.00 0.00 O ATOM 0 H ASP A 266 -0.868 8.444 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 266 0.214 7.380 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 266 1.177 8.993 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 266 2.375 8.073 -6.299 1.00 0.00 H new ATOM 162 N ILE A 267 1.524 5.363 -6.989 1.00 0.00 N ATOM 163 CA ILE A 267 2.038 4.054 -6.606 1.00 0.00 C ATOM 164 C ILE A 267 3.464 4.157 -6.075 1.00 0.00 C ATOM 165 O ILE A 267 4.263 4.955 -6.565 1.00 0.00 O ATOM 166 CB ILE A 267 2.014 3.071 -7.792 1.00 0.00 C ATOM 167 CG1 ILE A 267 0.573 2.810 -8.237 1.00 0.00 C ATOM 168 CG2 ILE A 267 2.701 1.768 -7.413 1.00 0.00 C ATOM 169 CD1 ILE A 267 0.089 3.764 -9.305 1.00 0.00 C ATOM 0 H ILE A 267 1.747 5.641 -7.945 1.00 0.00 H new ATOM 0 HA ILE A 267 1.386 3.677 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 267 2.557 3.516 -8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 267 0.496 1.789 -8.611 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -0.085 2.883 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 267 2.676 1.084 -8.261 1.00 0.00 H new ATOM 0 HG22 ILE A 267 3.737 1.969 -7.139 1.00 0.00 H new ATOM 0 HG23 ILE A 267 2.183 1.316 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -0.939 3.520 -9.572 1.00 0.00 H new ATOM 0 HD12 ILE A 267 0.133 4.786 -8.928 1.00 0.00 H new ATOM 0 HD13 ILE A 267 0.723 3.675 -10.187 1.00 0.00 H new ATOM 181 N TYR A 268 3.776 3.344 -5.072 1.00 0.00 N ATOM 182 CA TYR A 268 5.105 3.344 -4.474 1.00 0.00 C ATOM 183 C TYR A 268 5.535 1.928 -4.102 1.00 0.00 C ATOM 184 O TYR A 268 4.702 1.040 -3.928 1.00 0.00 O ATOM 185 CB TYR A 268 5.129 4.238 -3.233 1.00 0.00 C ATOM 186 CG TYR A 268 4.894 5.701 -3.536 1.00 0.00 C ATOM 187 CD1 TYR A 268 3.607 6.217 -3.613 1.00 0.00 C ATOM 188 CD2 TYR A 268 5.961 6.567 -3.745 1.00 0.00 C ATOM 189 CE1 TYR A 268 3.388 7.553 -3.890 1.00 0.00 C ATOM 190 CE2 TYR A 268 5.751 7.904 -4.022 1.00 0.00 C ATOM 191 CZ TYR A 268 4.463 8.392 -4.094 1.00 0.00 C ATOM 192 OH TYR A 268 4.249 9.723 -4.369 1.00 0.00 O ATOM 0 H TYR A 268 3.126 2.677 -4.656 1.00 0.00 H new ATOM 0 HA TYR A 268 5.807 3.736 -5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 268 4.368 3.894 -2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 268 6.093 4.129 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 268 2.763 5.563 -3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 268 6.971 6.188 -3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 268 2.380 7.938 -3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 268 6.591 8.564 -4.181 1.00 0.00 H new ATOM 0 HH TYR A 268 5.110 10.176 -4.485 1.00 0.00 H new ATOM 202 N ASN A 269 6.843 1.727 -3.982 1.00 0.00 N ATOM 203 CA ASN A 269 7.386 0.419 -3.631 1.00 0.00 C ATOM 204 C ASN A 269 7.647 0.323 -2.130 1.00 0.00 C ATOM 205 O ASN A 269 8.128 1.271 -1.511 1.00 0.00 O ATOM 206 CB ASN A 269 8.681 0.158 -4.402 1.00 0.00 C ATOM 207 CG ASN A 269 8.639 0.719 -5.810 1.00 0.00 C ATOM 208 OD1 ASN A 269 9.328 1.689 -6.125 1.00 0.00 O ATOM 209 ND2 ASN A 269 7.826 0.110 -6.666 1.00 0.00 N ATOM 0 H ASN A 269 7.546 2.452 -4.122 1.00 0.00 H new ATOM 0 HA ASN A 269 6.650 -0.337 -3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 269 9.518 0.601 -3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 269 8.864 -0.916 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 269 7.755 0.444 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 269 7.273 -0.691 -6.362 1.00 0.00 H new ATOM 216 N GLY A 270 7.325 -0.830 -1.552 1.00 0.00 N ATOM 217 CA GLY A 270 7.532 -1.029 -0.129 1.00 0.00 C ATOM 218 C GLY A 270 7.912 -2.457 0.207 1.00 0.00 C ATOM 219 O GLY A 270 8.027 -3.303 -0.680 1.00 0.00 O ATOM 0 H GLY A 270 6.925 -1.629 -2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 270 8.316 -0.356 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 270 6.622 -0.762 0.408 1.00 0.00 H new ATOM 223 N LYS A 271 8.110 -2.728 1.493 1.00 0.00 N ATOM 224 CA LYS A 271 8.481 -4.063 1.946 1.00 0.00 C ATOM 225 C LYS A 271 7.827 -4.384 3.286 1.00 0.00 C ATOM 226 O LYS A 271 7.784 -3.543 4.184 1.00 0.00 O ATOM 227 CB LYS A 271 10.002 -4.179 2.067 1.00 0.00 C ATOM 228 CG LYS A 271 10.467 -5.510 2.634 1.00 0.00 C ATOM 229 CD LYS A 271 11.896 -5.823 2.221 1.00 0.00 C ATOM 230 CE LYS A 271 12.899 -5.010 3.024 1.00 0.00 C ATOM 231 NZ LYS A 271 14.303 -5.369 2.684 1.00 0.00 N ATOM 0 H LYS A 271 8.020 -2.040 2.240 1.00 0.00 H new ATOM 0 HA LYS A 271 8.126 -4.782 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 271 10.448 -4.037 1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 271 10.370 -3.374 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 271 10.398 -5.487 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 271 9.805 -6.305 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 271 12.092 -6.886 2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 271 12.023 -5.613 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 271 12.740 -3.948 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 271 12.730 -5.174 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 14.956 -4.793 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 14.463 -6.376 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 14.472 -5.189 1.674 1.00 0.00 H new ATOM 245 N VAL A 272 7.321 -5.606 3.415 1.00 0.00 N ATOM 246 CA VAL A 272 6.672 -6.039 4.647 1.00 0.00 C ATOM 247 C VAL A 272 7.671 -6.120 5.796 1.00 0.00 C ATOM 248 O VAL A 272 8.605 -6.923 5.766 1.00 0.00 O ATOM 249 CB VAL A 272 5.995 -7.411 4.473 1.00 0.00 C ATOM 250 CG1 VAL A 272 5.551 -7.963 5.819 1.00 0.00 C ATOM 251 CG2 VAL A 272 4.817 -7.306 3.516 1.00 0.00 C ATOM 0 H VAL A 272 7.348 -6.314 2.681 1.00 0.00 H new ATOM 0 HA VAL A 272 5.912 -5.294 4.882 1.00 0.00 H new ATOM 0 HB VAL A 272 6.721 -8.103 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.075 -8.933 5.675 1.00 0.00 H new ATOM 0 HG12 VAL A 272 6.418 -8.077 6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 272 4.841 -7.275 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.350 -8.285 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 272 4.088 -6.599 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 272 5.168 -6.959 2.544 1.00 0.00 H new ATOM 261 N THR A 273 7.470 -5.282 6.808 1.00 0.00 N ATOM 262 CA THR A 273 8.354 -5.258 7.967 1.00 0.00 C ATOM 263 C THR A 273 7.797 -6.112 9.101 1.00 0.00 C ATOM 264 O THR A 273 8.551 -6.688 9.885 1.00 0.00 O ATOM 265 CB THR A 273 8.569 -3.822 8.480 1.00 0.00 C ATOM 266 OG1 THR A 273 7.312 -3.238 8.843 1.00 0.00 O ATOM 267 CG2 THR A 273 9.244 -2.964 7.420 1.00 0.00 C ATOM 0 H THR A 273 6.703 -4.611 6.849 1.00 0.00 H new ATOM 0 HA THR A 273 9.311 -5.667 7.643 1.00 0.00 H new ATOM 0 HB THR A 273 9.216 -3.866 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 273 7.468 -2.393 9.315 1.00 0.00 H new ATOM 0 HG21 THR A 273 9.385 -1.954 7.805 1.00 0.00 H new ATOM 0 HG22 THR A 273 10.213 -3.394 7.166 1.00 0.00 H new ATOM 0 HG23 THR A 273 8.618 -2.928 6.528 1.00 0.00 H new ATOM 275 N SER A 274 6.473 -6.191 9.181 1.00 0.00 N ATOM 276 CA SER A 274 5.815 -6.973 10.221 1.00 0.00 C ATOM 277 C SER A 274 4.448 -7.461 9.752 1.00 0.00 C ATOM 278 O SER A 274 3.604 -6.668 9.333 1.00 0.00 O ATOM 279 CB SER A 274 5.662 -6.139 11.495 1.00 0.00 C ATOM 280 OG SER A 274 6.795 -6.277 12.335 1.00 0.00 O ATOM 0 H SER A 274 5.834 -5.723 8.538 1.00 0.00 H new ATOM 0 HA SER A 274 6.437 -7.842 10.436 1.00 0.00 H new ATOM 0 HB2 SER A 274 5.526 -5.090 11.232 1.00 0.00 H new ATOM 0 HB3 SER A 274 4.767 -6.452 12.033 1.00 0.00 H new ATOM 0 HG SER A 274 7.591 -6.436 11.787 1.00 0.00 H new ATOM 286 N ILE A 275 4.237 -8.770 9.825 1.00 0.00 N ATOM 287 CA ILE A 275 2.973 -9.365 9.409 1.00 0.00 C ATOM 288 C ILE A 275 2.018 -9.509 10.589 1.00 0.00 C ATOM 289 O ILE A 275 2.372 -10.079 11.620 1.00 0.00 O ATOM 290 CB ILE A 275 3.186 -10.747 8.763 1.00 0.00 C ATOM 291 CG1 ILE A 275 4.022 -10.615 7.488 1.00 0.00 C ATOM 292 CG2 ILE A 275 1.847 -11.402 8.459 1.00 0.00 C ATOM 293 CD1 ILE A 275 5.498 -10.414 7.752 1.00 0.00 C ATOM 0 H ILE A 275 4.925 -9.440 10.169 1.00 0.00 H new ATOM 0 HA ILE A 275 2.536 -8.692 8.671 1.00 0.00 H new ATOM 0 HB ILE A 275 3.727 -11.380 9.466 1.00 0.00 H new ATOM 0 HG12 ILE A 275 3.888 -11.510 6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 275 3.648 -9.775 6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 275 2.014 -12.378 8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 275 1.284 -11.526 9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 275 1.282 -10.772 7.772 1.00 0.00 H new ATOM 0 HD11 ILE A 275 6.029 -10.328 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 275 5.643 -9.503 8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 275 5.887 -11.266 8.310 1.00 0.00 H new ATOM 305 N MET A 276 0.805 -8.990 10.429 1.00 0.00 N ATOM 306 CA MET A 276 -0.202 -9.064 11.481 1.00 0.00 C ATOM 307 C MET A 276 -1.365 -9.956 11.058 1.00 0.00 C ATOM 308 O MET A 276 -1.635 -10.115 9.868 1.00 0.00 O ATOM 309 CB MET A 276 -0.716 -7.664 11.823 1.00 0.00 C ATOM 310 CG MET A 276 0.392 -6.656 12.080 1.00 0.00 C ATOM 311 SD MET A 276 1.192 -6.894 13.678 1.00 0.00 S ATOM 312 CE MET A 276 2.453 -5.623 13.618 1.00 0.00 C ATOM 0 H MET A 276 0.496 -8.514 9.582 1.00 0.00 H new ATOM 0 HA MET A 276 0.263 -9.499 12.366 1.00 0.00 H new ATOM 0 HB2 MET A 276 -1.340 -7.305 11.005 1.00 0.00 H new ATOM 0 HB3 MET A 276 -1.352 -7.725 12.706 1.00 0.00 H new ATOM 0 HG2 MET A 276 1.138 -6.733 11.289 1.00 0.00 H new ATOM 0 HG3 MET A 276 -0.021 -5.648 12.031 1.00 0.00 H new ATOM 0 HE1 MET A 276 3.288 -5.908 14.258 1.00 0.00 H new ATOM 0 HE2 MET A 276 2.805 -5.508 12.593 1.00 0.00 H new ATOM 0 HE3 MET A 276 2.035 -4.679 13.966 1.00 0.00 H new ATOM 322 N GLN A 277 -2.048 -10.535 12.040 1.00 0.00 N ATOM 323 CA GLN A 277 -3.181 -11.411 11.768 1.00 0.00 C ATOM 324 C GLN A 277 -4.221 -10.705 10.904 1.00 0.00 C ATOM 325 O GLN A 277 -4.960 -11.346 10.156 1.00 0.00 O ATOM 326 CB GLN A 277 -3.820 -11.875 13.078 1.00 0.00 C ATOM 327 CG GLN A 277 -3.151 -13.099 13.682 1.00 0.00 C ATOM 328 CD GLN A 277 -3.957 -13.707 14.813 1.00 0.00 C ATOM 329 OE1 GLN A 277 -5.178 -13.838 14.720 1.00 0.00 O ATOM 330 NE2 GLN A 277 -3.276 -14.084 15.889 1.00 0.00 N ATOM 0 H GLN A 277 -1.837 -10.413 13.030 1.00 0.00 H new ATOM 0 HA GLN A 277 -2.813 -12.280 11.223 1.00 0.00 H new ATOM 0 HB2 GLN A 277 -3.784 -11.059 13.799 1.00 0.00 H new ATOM 0 HB3 GLN A 277 -4.872 -12.097 12.900 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -3.002 -13.848 12.904 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -2.164 -12.823 14.052 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -2.265 -13.957 15.923 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -3.764 -14.501 16.681 1.00 0.00 H new ATOM 339 N PHE A 278 -4.272 -9.382 11.012 1.00 0.00 N ATOM 340 CA PHE A 278 -5.223 -8.589 10.241 1.00 0.00 C ATOM 341 C PHE A 278 -4.617 -8.160 8.907 1.00 0.00 C ATOM 342 O PHE A 278 -5.151 -8.469 7.843 1.00 0.00 O ATOM 343 CB PHE A 278 -5.655 -7.356 11.037 1.00 0.00 C ATOM 344 CG PHE A 278 -4.582 -6.820 11.942 1.00 0.00 C ATOM 345 CD1 PHE A 278 -4.432 -7.313 13.228 1.00 0.00 C ATOM 346 CD2 PHE A 278 -3.724 -5.823 11.507 1.00 0.00 C ATOM 347 CE1 PHE A 278 -3.446 -6.823 14.063 1.00 0.00 C ATOM 348 CE2 PHE A 278 -2.736 -5.329 12.337 1.00 0.00 C ATOM 349 CZ PHE A 278 -2.597 -5.829 13.617 1.00 0.00 C ATOM 0 H PHE A 278 -3.667 -8.836 11.625 1.00 0.00 H new ATOM 0 HA PHE A 278 -6.097 -9.209 10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -5.958 -6.573 10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -6.531 -7.608 11.635 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -5.094 -8.090 13.582 1.00 0.00 H new ATOM 0 HD2 PHE A 278 -3.829 -5.427 10.508 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -3.339 -7.217 15.063 1.00 0.00 H new ATOM 0 HE2 PHE A 278 -2.073 -4.552 11.985 1.00 0.00 H new ATOM 0 HZ PHE A 278 -1.826 -5.444 14.268 1.00 0.00 H new ATOM 359 N GLY A 279 -3.499 -7.444 8.975 1.00 0.00 N ATOM 360 CA GLY A 279 -2.839 -6.983 7.767 1.00 0.00 C ATOM 361 C GLY A 279 -1.328 -7.060 7.866 1.00 0.00 C ATOM 362 O GLY A 279 -0.791 -7.712 8.762 1.00 0.00 O ATOM 0 H GLY A 279 -3.039 -7.175 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 279 -3.176 -7.583 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 279 -3.135 -5.953 7.565 1.00 0.00 H new ATOM 366 N CYS A 280 -0.642 -6.395 6.944 1.00 0.00 N ATOM 367 CA CYS A 280 0.816 -6.393 6.929 1.00 0.00 C ATOM 368 C CYS A 280 1.357 -4.972 6.797 1.00 0.00 C ATOM 369 O CYS A 280 0.920 -4.209 5.936 1.00 0.00 O ATOM 370 CB CYS A 280 1.337 -7.258 5.781 1.00 0.00 C ATOM 371 SG CYS A 280 0.919 -6.634 4.137 1.00 0.00 S ATOM 0 H CYS A 280 -1.072 -5.850 6.197 1.00 0.00 H new ATOM 0 HA CYS A 280 1.164 -6.809 7.874 1.00 0.00 H new ATOM 0 HB2 CYS A 280 2.421 -7.337 5.863 1.00 0.00 H new ATOM 0 HB3 CYS A 280 0.935 -8.266 5.888 1.00 0.00 H new ATOM 0 HG CYS A 280 0.760 -5.345 4.190 1.00 0.00 H new ATOM 377 N PHE A 281 2.308 -4.624 7.657 1.00 0.00 N ATOM 378 CA PHE A 281 2.906 -3.295 7.638 1.00 0.00 C ATOM 379 C PHE A 281 3.974 -3.194 6.553 1.00 0.00 C ATOM 380 O PHE A 281 5.031 -3.818 6.646 1.00 0.00 O ATOM 381 CB PHE A 281 3.518 -2.968 9.002 1.00 0.00 C ATOM 382 CG PHE A 281 2.506 -2.535 10.024 1.00 0.00 C ATOM 383 CD1 PHE A 281 2.125 -1.206 10.122 1.00 0.00 C ATOM 384 CD2 PHE A 281 1.936 -3.457 10.888 1.00 0.00 C ATOM 385 CE1 PHE A 281 1.193 -0.805 11.061 1.00 0.00 C ATOM 386 CE2 PHE A 281 1.004 -3.061 11.829 1.00 0.00 C ATOM 387 CZ PHE A 281 0.633 -1.733 11.916 1.00 0.00 C ATOM 0 H PHE A 281 2.681 -5.244 8.376 1.00 0.00 H new ATOM 0 HA PHE A 281 2.119 -2.574 7.417 1.00 0.00 H new ATOM 0 HB2 PHE A 281 4.046 -3.846 9.374 1.00 0.00 H new ATOM 0 HB3 PHE A 281 4.259 -2.178 8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 281 2.561 -0.475 9.457 1.00 0.00 H new ATOM 0 HD2 PHE A 281 2.223 -4.496 10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 281 0.903 0.233 11.126 1.00 0.00 H new ATOM 0 HE2 PHE A 281 0.566 -3.789 12.496 1.00 0.00 H new ATOM 0 HZ PHE A 281 -0.094 -1.421 12.652 1.00 0.00 H new ATOM 397 N VAL A 282 3.689 -2.404 5.522 1.00 0.00 N ATOM 398 CA VAL A 282 4.624 -2.220 4.419 1.00 0.00 C ATOM 399 C VAL A 282 5.300 -0.855 4.492 1.00 0.00 C ATOM 400 O VAL A 282 4.631 0.176 4.556 1.00 0.00 O ATOM 401 CB VAL A 282 3.919 -2.359 3.057 1.00 0.00 C ATOM 402 CG1 VAL A 282 4.893 -2.088 1.920 1.00 0.00 C ATOM 403 CG2 VAL A 282 3.295 -3.740 2.918 1.00 0.00 C ATOM 0 H VAL A 282 2.818 -1.882 5.428 1.00 0.00 H new ATOM 0 HA VAL A 282 5.379 -3.001 4.511 1.00 0.00 H new ATOM 0 HB VAL A 282 3.121 -1.618 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 282 4.376 -2.191 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 282 5.287 -1.076 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 282 5.715 -2.803 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 282 2.801 -3.820 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 282 4.073 -4.500 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 282 2.563 -3.890 3.712 1.00 0.00 H new ATOM 413 N GLN A 283 6.629 -0.858 4.482 1.00 0.00 N ATOM 414 CA GLN A 283 7.395 0.381 4.547 1.00 0.00 C ATOM 415 C GLN A 283 7.762 0.869 3.150 1.00 0.00 C ATOM 416 O GLN A 283 8.340 0.127 2.354 1.00 0.00 O ATOM 417 CB GLN A 283 8.663 0.178 5.379 1.00 0.00 C ATOM 418 CG GLN A 283 9.404 1.470 5.684 1.00 0.00 C ATOM 419 CD GLN A 283 10.162 1.412 6.995 1.00 0.00 C ATOM 420 OE1 GLN A 283 9.931 2.221 7.895 1.00 0.00 O ATOM 421 NE2 GLN A 283 11.073 0.453 7.111 1.00 0.00 N ATOM 0 H GLN A 283 7.197 -1.704 4.430 1.00 0.00 H new ATOM 0 HA GLN A 283 6.773 1.138 5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 283 8.398 -0.309 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 283 9.332 -0.498 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 283 10.102 1.684 4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 283 8.691 2.294 5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 283 11.232 -0.196 6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 283 11.614 0.365 7.971 1.00 0.00 H new ATOM 430 N LEU A 284 7.423 2.119 2.857 1.00 0.00 N ATOM 431 CA LEU A 284 7.717 2.707 1.554 1.00 0.00 C ATOM 432 C LEU A 284 9.218 2.915 1.377 1.00 0.00 C ATOM 433 O LEU A 284 9.946 3.112 2.349 1.00 0.00 O ATOM 434 CB LEU A 284 6.984 4.040 1.397 1.00 0.00 C ATOM 435 CG LEU A 284 5.461 3.988 1.529 1.00 0.00 C ATOM 436 CD1 LEU A 284 4.878 5.393 1.541 1.00 0.00 C ATOM 437 CD2 LEU A 284 4.856 3.167 0.400 1.00 0.00 C ATOM 0 H LEU A 284 6.944 2.746 3.504 1.00 0.00 H new ATOM 0 HA LEU A 284 7.371 2.017 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 284 7.370 4.734 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 284 7.230 4.454 0.419 1.00 0.00 H new ATOM 0 HG LEU A 284 5.213 3.506 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 284 3.794 5.336 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 284 5.287 5.949 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 284 5.135 5.902 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 284 3.772 3.141 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 284 5.113 3.620 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 284 5.249 2.151 0.438 1.00 0.00 H new ATOM 449 N GLU A 285 9.673 2.871 0.128 1.00 0.00 N ATOM 450 CA GLU A 285 11.087 3.057 -0.176 1.00 0.00 C ATOM 451 C GLU A 285 11.282 4.179 -1.191 1.00 0.00 C ATOM 452 O GLU A 285 10.977 4.023 -2.372 1.00 0.00 O ATOM 453 CB GLU A 285 11.690 1.757 -0.714 1.00 0.00 C ATOM 454 CG GLU A 285 11.736 0.637 0.312 1.00 0.00 C ATOM 455 CD GLU A 285 12.791 -0.404 -0.007 1.00 0.00 C ATOM 456 OE1 GLU A 285 13.166 -0.525 -1.192 1.00 0.00 O ATOM 457 OE2 GLU A 285 13.243 -1.096 0.929 1.00 0.00 O ATOM 0 H GLU A 285 9.083 2.708 -0.688 1.00 0.00 H new ATOM 0 HA GLU A 285 11.598 3.332 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 285 11.109 1.426 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 285 12.701 1.955 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 285 11.934 1.060 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 285 10.759 0.155 0.363 1.00 0.00 H new ATOM 464 N GLY A 286 11.794 5.313 -0.720 1.00 0.00 N ATOM 465 CA GLY A 286 12.021 6.446 -1.598 1.00 0.00 C ATOM 466 C GLY A 286 11.792 7.773 -0.902 1.00 0.00 C ATOM 467 O GLY A 286 12.696 8.607 -0.827 1.00 0.00 O ATOM 0 H GLY A 286 12.055 5.467 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 286 13.042 6.409 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 286 11.358 6.372 -2.460 1.00 0.00 H new ATOM 471 N LEU A 287 10.581 7.972 -0.395 1.00 0.00 N ATOM 472 CA LEU A 287 10.235 9.209 0.297 1.00 0.00 C ATOM 473 C LEU A 287 11.234 9.509 1.410 1.00 0.00 C ATOM 474 O LEU A 287 11.559 8.637 2.217 1.00 0.00 O ATOM 475 CB LEU A 287 8.822 9.115 0.876 1.00 0.00 C ATOM 476 CG LEU A 287 7.694 8.917 -0.137 1.00 0.00 C ATOM 477 CD1 LEU A 287 6.416 8.483 0.566 1.00 0.00 C ATOM 478 CD2 LEU A 287 7.460 10.194 -0.931 1.00 0.00 C ATOM 0 H LEU A 287 9.822 7.293 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 287 10.271 10.023 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 287 8.796 8.288 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 287 8.621 10.025 1.441 1.00 0.00 H new ATOM 0 HG LEU A 287 7.989 8.130 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 287 5.624 8.347 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 287 6.590 7.543 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 287 6.117 9.248 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 287 6.654 10.035 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 287 7.187 11.001 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 287 8.372 10.463 -1.465 1.00 0.00 H new ATOM 490 N ARG A 288 11.716 10.746 1.448 1.00 0.00 N ATOM 491 CA ARG A 288 12.678 11.161 2.463 1.00 0.00 C ATOM 492 C ARG A 288 12.230 10.713 3.851 1.00 0.00 C ATOM 493 O ARG A 288 13.012 10.146 4.615 1.00 0.00 O ATOM 494 CB ARG A 288 12.854 12.680 2.438 1.00 0.00 C ATOM 495 CG ARG A 288 14.245 13.139 2.846 1.00 0.00 C ATOM 496 CD ARG A 288 14.373 13.248 4.358 1.00 0.00 C ATOM 497 NE ARG A 288 15.542 14.031 4.752 1.00 0.00 N ATOM 498 CZ ARG A 288 15.688 14.577 5.954 1.00 0.00 C ATOM 499 NH1 ARG A 288 14.746 14.426 6.874 1.00 0.00 N ATOM 500 NH2 ARG A 288 16.780 15.275 6.238 1.00 0.00 N ATOM 0 H ARG A 288 11.457 11.479 0.788 1.00 0.00 H new ATOM 0 HA ARG A 288 13.634 10.688 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 288 12.640 13.046 1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 288 12.121 13.133 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 288 14.987 12.437 2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 288 14.459 14.106 2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 288 13.473 13.709 4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 288 14.443 12.249 4.789 1.00 0.00 H new ATOM 0 HE ARG A 288 16.286 14.166 4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 288 13.906 13.889 6.660 1.00 0.00 H new ATOM 0 HH12 ARG A 288 14.861 14.847 7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 288 17.508 15.393 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 288 16.892 15.694 7.161 1.00 0.00 H new ATOM 514 N LYS A 289 10.967 10.971 4.172 1.00 0.00 N ATOM 515 CA LYS A 289 10.413 10.595 5.467 1.00 0.00 C ATOM 516 C LYS A 289 9.997 9.127 5.475 1.00 0.00 C ATOM 517 O LYS A 289 9.144 8.710 4.691 1.00 0.00 O ATOM 518 CB LYS A 289 9.212 11.479 5.808 1.00 0.00 C ATOM 519 CG LYS A 289 9.593 12.882 6.244 1.00 0.00 C ATOM 520 CD LYS A 289 8.382 13.667 6.721 1.00 0.00 C ATOM 521 CE LYS A 289 8.147 13.476 8.212 1.00 0.00 C ATOM 522 NZ LYS A 289 7.339 12.258 8.494 1.00 0.00 N ATOM 0 H LYS A 289 10.307 11.440 3.552 1.00 0.00 H new ATOM 0 HA LYS A 289 11.187 10.739 6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 289 8.560 11.543 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 289 8.637 11.004 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 289 10.331 12.827 7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 289 10.063 13.407 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 289 8.526 14.726 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 289 7.499 13.347 6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 289 9.106 13.402 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 289 7.637 14.351 8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 289 6.809 12.390 9.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 289 6.673 12.095 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 289 7.970 11.437 8.588 1.00 0.00 H new ATOM 536 N ARG A 290 10.603 8.350 6.366 1.00 0.00 N ATOM 537 CA ARG A 290 10.294 6.929 6.476 1.00 0.00 C ATOM 538 C ARG A 290 8.845 6.719 6.906 1.00 0.00 C ATOM 539 O ARG A 290 8.524 6.782 8.093 1.00 0.00 O ATOM 540 CB ARG A 290 11.237 6.256 7.476 1.00 0.00 C ATOM 541 CG ARG A 290 11.499 4.790 7.173 1.00 0.00 C ATOM 542 CD ARG A 290 12.503 4.626 6.043 1.00 0.00 C ATOM 543 NE ARG A 290 12.404 3.313 5.410 1.00 0.00 N ATOM 544 CZ ARG A 290 13.060 2.980 4.304 1.00 0.00 C ATOM 545 NH1 ARG A 290 13.858 3.857 3.712 1.00 0.00 N ATOM 546 NH2 ARG A 290 12.917 1.766 3.787 1.00 0.00 N ATOM 0 H ARG A 290 11.311 8.680 7.022 1.00 0.00 H new ATOM 0 HA ARG A 290 10.433 6.476 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 290 12.186 6.792 7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 290 10.813 6.342 8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 290 11.873 4.293 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 290 10.563 4.300 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 290 12.338 5.402 5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 290 13.512 4.766 6.431 1.00 0.00 H new ATOM 0 HE ARG A 290 11.798 2.614 5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 290 13.970 4.791 4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 290 14.360 3.598 2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 290 12.303 1.088 4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 290 13.421 1.511 2.938 1.00 0.00 H new ATOM 560 N TRP A 291 7.976 6.470 5.934 1.00 0.00 N ATOM 561 CA TRP A 291 6.561 6.251 6.212 1.00 0.00 C ATOM 562 C TRP A 291 6.259 4.764 6.361 1.00 0.00 C ATOM 563 O TRP A 291 6.957 3.921 5.798 1.00 0.00 O ATOM 564 CB TRP A 291 5.702 6.849 5.096 1.00 0.00 C ATOM 565 CG TRP A 291 5.526 8.333 5.212 1.00 0.00 C ATOM 566 CD1 TRP A 291 5.956 9.281 4.327 1.00 0.00 C ATOM 567 CD2 TRP A 291 4.876 9.038 6.274 1.00 0.00 C ATOM 568 NE1 TRP A 291 5.611 10.533 4.776 1.00 0.00 N ATOM 569 CE2 TRP A 291 4.947 10.411 5.968 1.00 0.00 C ATOM 570 CE3 TRP A 291 4.238 8.643 7.453 1.00 0.00 C ATOM 571 CZ2 TRP A 291 4.406 11.388 6.799 1.00 0.00 C ATOM 572 CZ3 TRP A 291 3.702 9.614 8.278 1.00 0.00 C ATOM 573 CH2 TRP A 291 3.787 10.973 7.947 1.00 0.00 C ATOM 0 H TRP A 291 8.226 6.415 4.947 1.00 0.00 H new ATOM 0 HA TRP A 291 6.320 6.747 7.152 1.00 0.00 H new ATOM 0 HB2 TRP A 291 6.158 6.619 4.133 1.00 0.00 H new ATOM 0 HB3 TRP A 291 4.722 6.372 5.107 1.00 0.00 H new ATOM 0 HD1 TRP A 291 6.488 9.076 3.410 1.00 0.00 H new ATOM 0 HE1 TRP A 291 5.816 11.411 4.299 1.00 0.00 H new ATOM 0 HE3 TRP A 291 4.165 7.598 7.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 291 4.472 12.436 6.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 291 3.209 9.320 9.193 1.00 0.00 H new ATOM 0 HH2 TRP A 291 3.356 11.707 8.611 1.00 0.00 H new ATOM 584 N GLU A 292 5.215 4.450 7.122 1.00 0.00 N ATOM 585 CA GLU A 292 4.823 3.063 7.345 1.00 0.00 C ATOM 586 C GLU A 292 3.307 2.907 7.264 1.00 0.00 C ATOM 587 O GLU A 292 2.567 3.515 8.035 1.00 0.00 O ATOM 588 CB GLU A 292 5.324 2.581 8.708 1.00 0.00 C ATOM 589 CG GLU A 292 4.923 1.151 9.032 1.00 0.00 C ATOM 590 CD GLU A 292 5.766 0.546 10.138 1.00 0.00 C ATOM 591 OE1 GLU A 292 5.400 0.708 11.321 1.00 0.00 O ATOM 592 OE2 GLU A 292 6.793 -0.090 9.820 1.00 0.00 O ATOM 0 H GLU A 292 4.626 5.136 7.594 1.00 0.00 H new ATOM 0 HA GLU A 292 5.276 2.454 6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 292 6.411 2.660 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 292 4.937 3.243 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 292 3.874 1.130 9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 292 5.015 0.539 8.134 1.00 0.00 H new ATOM 599 N GLY A 293 2.852 2.087 6.321 1.00 0.00 N ATOM 600 CA GLY A 293 1.428 1.865 6.155 1.00 0.00 C ATOM 601 C GLY A 293 1.024 0.436 6.460 1.00 0.00 C ATOM 602 O GLY A 293 1.876 -0.442 6.599 1.00 0.00 O ATOM 0 H GLY A 293 3.445 1.573 5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 293 0.879 2.542 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 293 1.142 2.110 5.132 1.00 0.00 H new ATOM 606 N LEU A 294 -0.280 0.202 6.567 1.00 0.00 N ATOM 607 CA LEU A 294 -0.796 -1.131 6.860 1.00 0.00 C ATOM 608 C LEU A 294 -1.766 -1.589 5.776 1.00 0.00 C ATOM 609 O LEU A 294 -2.539 -0.793 5.243 1.00 0.00 O ATOM 610 CB LEU A 294 -1.492 -1.141 8.222 1.00 0.00 C ATOM 611 CG LEU A 294 -2.117 -2.471 8.645 1.00 0.00 C ATOM 612 CD1 LEU A 294 -1.048 -3.426 9.152 1.00 0.00 C ATOM 613 CD2 LEU A 294 -3.181 -2.245 9.710 1.00 0.00 C ATOM 0 H LEU A 294 -0.998 0.917 6.455 1.00 0.00 H new ATOM 0 HA LEU A 294 0.046 -1.823 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 294 -0.767 -0.845 8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 294 -2.273 -0.381 8.214 1.00 0.00 H new ATOM 0 HG LEU A 294 -2.593 -2.921 7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 294 -1.512 -4.367 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 294 -0.322 -3.613 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 294 -0.543 -2.984 10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 294 -3.615 -3.202 9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 294 -2.728 -1.773 10.582 1.00 0.00 H new ATOM 0 HD23 LEU A 294 -3.962 -1.598 9.312 1.00 0.00 H new ATOM 625 N VAL A 295 -1.722 -2.878 5.456 1.00 0.00 N ATOM 626 CA VAL A 295 -2.599 -3.444 4.438 1.00 0.00 C ATOM 627 C VAL A 295 -3.490 -4.534 5.024 1.00 0.00 C ATOM 628 O VAL A 295 -3.046 -5.662 5.244 1.00 0.00 O ATOM 629 CB VAL A 295 -1.792 -4.031 3.265 1.00 0.00 C ATOM 630 CG1 VAL A 295 -2.717 -4.410 2.117 1.00 0.00 C ATOM 631 CG2 VAL A 295 -0.731 -3.045 2.802 1.00 0.00 C ATOM 0 H VAL A 295 -1.088 -3.551 5.887 1.00 0.00 H new ATOM 0 HA VAL A 295 -3.222 -2.629 4.069 1.00 0.00 H new ATOM 0 HB VAL A 295 -1.289 -4.935 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 295 -2.129 -4.823 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 295 -3.436 -5.155 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 295 -3.250 -3.524 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 295 -0.170 -3.476 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 295 -1.210 -2.122 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 295 -0.051 -2.829 3.626 1.00 0.00 H new ATOM 641 N HIS A 296 -4.749 -4.190 5.275 1.00 0.00 N ATOM 642 CA HIS A 296 -5.703 -5.140 5.836 1.00 0.00 C ATOM 643 C HIS A 296 -5.791 -6.396 4.973 1.00 0.00 C ATOM 644 O HIS A 296 -5.354 -6.400 3.821 1.00 0.00 O ATOM 645 CB HIS A 296 -7.084 -4.495 5.959 1.00 0.00 C ATOM 646 CG HIS A 296 -8.018 -5.247 6.858 1.00 0.00 C ATOM 647 ND1 HIS A 296 -9.204 -5.796 6.420 1.00 0.00 N ATOM 648 CD2 HIS A 296 -7.933 -5.540 8.176 1.00 0.00 C ATOM 649 CE1 HIS A 296 -9.810 -6.393 7.431 1.00 0.00 C ATOM 650 NE2 HIS A 296 -9.059 -6.253 8.508 1.00 0.00 N ATOM 0 H HIS A 296 -5.132 -3.261 5.099 1.00 0.00 H new ATOM 0 HA HIS A 296 -5.353 -5.426 6.828 1.00 0.00 H new ATOM 0 HB2 HIS A 296 -6.969 -3.479 6.336 1.00 0.00 H new ATOM 0 HB3 HIS A 296 -7.530 -4.418 4.967 1.00 0.00 H new ATOM 0 HD2 HIS A 296 -7.129 -5.265 8.843 1.00 0.00 H new ATOM 0 HE1 HIS A 296 -10.758 -6.908 7.384 1.00 0.00 H new ATOM 0 HE2 HIS A 296 -9.279 -6.615 9.436 1.00 0.00 H new ATOM 658 N ILE A 297 -6.356 -7.458 5.537 1.00 0.00 N ATOM 659 CA ILE A 297 -6.500 -8.718 4.819 1.00 0.00 C ATOM 660 C ILE A 297 -7.337 -8.539 3.557 1.00 0.00 C ATOM 661 O ILE A 297 -7.182 -9.280 2.587 1.00 0.00 O ATOM 662 CB ILE A 297 -7.150 -9.798 5.703 1.00 0.00 C ATOM 663 CG1 ILE A 297 -7.088 -11.161 5.010 1.00 0.00 C ATOM 664 CG2 ILE A 297 -8.590 -9.426 6.023 1.00 0.00 C ATOM 665 CD1 ILE A 297 -5.837 -11.947 5.333 1.00 0.00 C ATOM 0 H ILE A 297 -6.722 -7.471 6.489 1.00 0.00 H new ATOM 0 HA ILE A 297 -5.496 -9.041 4.544 1.00 0.00 H new ATOM 0 HB ILE A 297 -6.595 -9.861 6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -7.960 -11.747 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -7.147 -11.014 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -9.035 -10.200 6.649 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -8.611 -8.474 6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -9.157 -9.337 5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -5.861 -12.902 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -4.960 -11.381 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -5.787 -12.125 6.407 1.00 0.00 H new ATOM 677 N SER A 298 -8.223 -7.548 3.577 1.00 0.00 N ATOM 678 CA SER A 298 -9.087 -7.272 2.435 1.00 0.00 C ATOM 679 C SER A 298 -8.299 -6.618 1.304 1.00 0.00 C ATOM 680 O SER A 298 -8.700 -6.673 0.142 1.00 0.00 O ATOM 681 CB SER A 298 -10.247 -6.367 2.853 1.00 0.00 C ATOM 682 OG SER A 298 -11.013 -5.968 1.729 1.00 0.00 O ATOM 0 H SER A 298 -8.361 -6.923 4.371 1.00 0.00 H new ATOM 0 HA SER A 298 -9.487 -8.220 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 298 -10.885 -6.893 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 298 -9.859 -5.486 3.364 1.00 0.00 H new ATOM 0 HG SER A 298 -10.580 -5.205 1.292 1.00 0.00 H new ATOM 688 N GLU A 299 -7.176 -5.999 1.654 1.00 0.00 N ATOM 689 CA GLU A 299 -6.332 -5.334 0.668 1.00 0.00 C ATOM 690 C GLU A 299 -5.170 -6.231 0.252 1.00 0.00 C ATOM 691 O GLU A 299 -4.021 -5.793 0.196 1.00 0.00 O ATOM 692 CB GLU A 299 -5.795 -4.015 1.231 1.00 0.00 C ATOM 693 CG GLU A 299 -6.820 -2.893 1.234 1.00 0.00 C ATOM 694 CD GLU A 299 -8.156 -3.325 1.807 1.00 0.00 C ATOM 695 OE1 GLU A 299 -8.898 -4.043 1.104 1.00 0.00 O ATOM 696 OE2 GLU A 299 -8.459 -2.944 2.957 1.00 0.00 O ATOM 0 H GLU A 299 -6.830 -5.944 2.612 1.00 0.00 H new ATOM 0 HA GLU A 299 -6.941 -5.126 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 299 -5.446 -4.180 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 299 -4.930 -3.704 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 299 -6.434 -2.055 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 299 -6.965 -2.535 0.215 1.00 0.00 H new ATOM 703 N LEU A 300 -5.479 -7.490 -0.040 1.00 0.00 N ATOM 704 CA LEU A 300 -4.462 -8.451 -0.452 1.00 0.00 C ATOM 705 C LEU A 300 -4.921 -9.242 -1.673 1.00 0.00 C ATOM 706 O LEU A 300 -4.275 -9.217 -2.720 1.00 0.00 O ATOM 707 CB LEU A 300 -4.141 -9.408 0.698 1.00 0.00 C ATOM 708 CG LEU A 300 -3.816 -8.756 2.043 1.00 0.00 C ATOM 709 CD1 LEU A 300 -3.624 -9.816 3.117 1.00 0.00 C ATOM 710 CD2 LEU A 300 -2.576 -7.882 1.926 1.00 0.00 C ATOM 0 H LEU A 300 -6.425 -7.869 0.001 1.00 0.00 H new ATOM 0 HA LEU A 300 -3.562 -7.897 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 300 -4.991 -10.076 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 300 -3.294 -10.027 0.403 1.00 0.00 H new ATOM 0 HG LEU A 300 -4.656 -8.124 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 300 -3.393 -9.334 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 300 -4.538 -10.400 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 300 -2.802 -10.474 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 300 -2.360 -7.426 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 300 -1.728 -8.493 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 300 -2.750 -7.100 1.187 1.00 0.00 H new ATOM 856 N VAL A 309 -2.682 -13.364 6.187 1.00 0.00 N ATOM 857 CA VAL A 309 -1.616 -12.562 5.599 1.00 0.00 C ATOM 858 C VAL A 309 -0.293 -13.320 5.601 1.00 0.00 C ATOM 859 O VAL A 309 0.555 -13.113 4.733 1.00 0.00 O ATOM 860 CB VAL A 309 -1.433 -11.231 6.352 1.00 0.00 C ATOM 861 CG1 VAL A 309 -0.664 -10.235 5.497 1.00 0.00 C ATOM 862 CG2 VAL A 309 -2.782 -10.663 6.764 1.00 0.00 C ATOM 0 HA VAL A 309 -1.910 -12.351 4.571 1.00 0.00 H new ATOM 0 HB VAL A 309 -0.853 -11.421 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -0.544 -9.301 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 309 0.318 -10.643 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.214 -10.047 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -2.634 -9.723 7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -3.389 -10.487 5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -3.291 -11.372 7.417 1.00 0.00 H new ATOM 872 N ALA A 310 -0.124 -14.201 6.581 1.00 0.00 N ATOM 873 CA ALA A 310 1.095 -14.993 6.695 1.00 0.00 C ATOM 874 C ALA A 310 1.469 -15.621 5.357 1.00 0.00 C ATOM 875 O ALA A 310 2.558 -15.387 4.834 1.00 0.00 O ATOM 876 CB ALA A 310 0.927 -16.070 7.757 1.00 0.00 C ATOM 0 H ALA A 310 -0.816 -14.385 7.308 1.00 0.00 H new ATOM 0 HA ALA A 310 1.905 -14.327 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 310 1.844 -16.654 7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 310 0.715 -15.603 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 310 0.101 -16.726 7.482 1.00 0.00 H new ATOM 882 N ASP A 311 0.559 -16.419 4.808 1.00 0.00 N ATOM 883 CA ASP A 311 0.794 -17.080 3.530 1.00 0.00 C ATOM 884 C ASP A 311 0.803 -16.068 2.388 1.00 0.00 C ATOM 885 O ASP A 311 1.411 -16.300 1.343 1.00 0.00 O ATOM 886 CB ASP A 311 -0.276 -18.143 3.277 1.00 0.00 C ATOM 887 CG ASP A 311 -0.011 -19.424 4.043 1.00 0.00 C ATOM 888 OD1 ASP A 311 0.645 -19.357 5.103 1.00 0.00 O ATOM 889 OD2 ASP A 311 -0.459 -20.495 3.581 1.00 0.00 O ATOM 0 H ASP A 311 -0.348 -16.623 5.228 1.00 0.00 H new ATOM 0 HA ASP A 311 1.771 -17.562 3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 311 -1.251 -17.748 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 311 -0.320 -18.363 2.210 1.00 0.00 H new ATOM 894 N VAL A 312 0.123 -14.944 2.595 1.00 0.00 N ATOM 895 CA VAL A 312 0.052 -13.897 1.583 1.00 0.00 C ATOM 896 C VAL A 312 1.415 -13.248 1.368 1.00 0.00 C ATOM 897 O VAL A 312 1.980 -13.314 0.276 1.00 0.00 O ATOM 898 CB VAL A 312 -0.966 -12.809 1.972 1.00 0.00 C ATOM 899 CG1 VAL A 312 -0.961 -11.683 0.950 1.00 0.00 C ATOM 900 CG2 VAL A 312 -2.357 -13.407 2.112 1.00 0.00 C ATOM 0 H VAL A 312 -0.386 -14.736 3.454 1.00 0.00 H new ATOM 0 HA VAL A 312 -0.271 -14.373 0.657 1.00 0.00 H new ATOM 0 HB VAL A 312 -0.676 -12.393 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 312 -1.687 -10.924 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 312 0.033 -11.237 0.905 1.00 0.00 H new ATOM 0 HG13 VAL A 312 -1.225 -12.080 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 312 -3.064 -12.624 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 312 -2.659 -13.851 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 312 -2.347 -14.175 2.886 1.00 0.00 H new ATOM 910 N VAL A 313 1.939 -12.622 2.417 1.00 0.00 N ATOM 911 CA VAL A 313 3.238 -11.963 2.343 1.00 0.00 C ATOM 912 C VAL A 313 4.205 -12.538 3.371 1.00 0.00 C ATOM 913 O VAL A 313 3.793 -13.192 4.329 1.00 0.00 O ATOM 914 CB VAL A 313 3.109 -10.445 2.569 1.00 0.00 C ATOM 915 CG1 VAL A 313 2.323 -9.801 1.437 1.00 0.00 C ATOM 916 CG2 VAL A 313 2.455 -10.160 3.913 1.00 0.00 C ATOM 0 H VAL A 313 1.484 -12.557 3.328 1.00 0.00 H new ATOM 0 HA VAL A 313 3.628 -12.143 1.341 1.00 0.00 H new ATOM 0 HB VAL A 313 4.109 -10.011 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 313 2.242 -8.729 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 313 2.837 -9.975 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 313 1.325 -10.237 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 313 2.372 -9.083 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 313 1.461 -10.607 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 313 3.063 -10.586 4.711 1.00 0.00 H new ATOM 926 N SER A 314 5.495 -12.291 3.165 1.00 0.00 N ATOM 927 CA SER A 314 6.523 -12.787 4.072 1.00 0.00 C ATOM 928 C SER A 314 7.291 -11.632 4.707 1.00 0.00 C ATOM 929 O SER A 314 7.262 -10.505 4.213 1.00 0.00 O ATOM 930 CB SER A 314 7.490 -13.708 3.326 1.00 0.00 C ATOM 931 OG SER A 314 8.577 -12.977 2.787 1.00 0.00 O ATOM 0 H SER A 314 5.853 -11.750 2.378 1.00 0.00 H new ATOM 0 HA SER A 314 6.032 -13.352 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 314 7.864 -14.474 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 314 6.961 -14.223 2.524 1.00 0.00 H new ATOM 0 HG SER A 314 9.181 -13.589 2.317 1.00 0.00 H new ATOM 937 N LYS A 315 7.978 -11.921 5.807 1.00 0.00 N ATOM 938 CA LYS A 315 8.756 -10.909 6.512 1.00 0.00 C ATOM 939 C LYS A 315 9.955 -10.466 5.678 1.00 0.00 C ATOM 940 O LYS A 315 10.766 -11.288 5.254 1.00 0.00 O ATOM 941 CB LYS A 315 9.233 -11.450 7.861 1.00 0.00 C ATOM 942 CG LYS A 315 9.553 -10.364 8.874 1.00 0.00 C ATOM 943 CD LYS A 315 9.764 -10.941 10.263 1.00 0.00 C ATOM 944 CE LYS A 315 10.390 -9.921 11.202 1.00 0.00 C ATOM 945 NZ LYS A 315 9.424 -8.853 11.583 1.00 0.00 N ATOM 0 H LYS A 315 8.012 -12.849 6.230 1.00 0.00 H new ATOM 0 HA LYS A 315 8.113 -10.045 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 315 8.464 -12.104 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 315 10.121 -12.062 7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 315 10.449 -9.827 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 315 8.740 -9.639 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 315 8.808 -11.272 10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 315 10.405 -11.820 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 315 10.747 -10.425 12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 315 11.259 -9.471 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 315 9.798 -8.319 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 315 9.284 -8.209 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 315 8.514 -9.285 11.843 1.00 0.00 H new ATOM 959 N GLY A 316 10.060 -9.160 5.448 1.00 0.00 N ATOM 960 CA GLY A 316 11.163 -8.631 4.667 1.00 0.00 C ATOM 961 C GLY A 316 11.028 -8.941 3.189 1.00 0.00 C ATOM 962 O GLY A 316 12.027 -9.132 2.496 1.00 0.00 O ATOM 0 H GLY A 316 9.401 -8.460 5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 316 11.217 -7.551 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 316 12.100 -9.047 5.038 1.00 0.00 H new ATOM 966 N GLN A 317 9.790 -8.991 2.707 1.00 0.00 N ATOM 967 CA GLN A 317 9.530 -9.281 1.302 1.00 0.00 C ATOM 968 C GLN A 317 9.193 -8.007 0.536 1.00 0.00 C ATOM 969 O GLN A 317 8.323 -7.237 0.944 1.00 0.00 O ATOM 970 CB GLN A 317 8.384 -10.287 1.172 1.00 0.00 C ATOM 971 CG GLN A 317 7.699 -10.256 -0.184 1.00 0.00 C ATOM 972 CD GLN A 317 6.633 -11.325 -0.324 1.00 0.00 C ATOM 973 OE1 GLN A 317 5.374 -10.904 -0.367 1.00 0.00 O flip ATOM 974 NE2 GLN A 317 6.937 -12.516 -0.393 1.00 0.00 N flip ATOM 0 H GLN A 317 8.953 -8.835 3.268 1.00 0.00 H new ATOM 0 HA GLN A 317 10.434 -9.712 0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 317 8.770 -11.290 1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 317 7.645 -10.086 1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 317 7.247 -9.276 -0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 317 8.446 -10.388 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 317 7.917 -12.795 -0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 317 6.208 -13.224 -0.487 1.00 0.00 H new ATOM 983 N ARG A 318 9.887 -7.789 -0.576 1.00 0.00 N ATOM 984 CA ARG A 318 9.663 -6.607 -1.398 1.00 0.00 C ATOM 985 C ARG A 318 8.331 -6.703 -2.137 1.00 0.00 C ATOM 986 O ARG A 318 8.147 -7.564 -2.997 1.00 0.00 O ATOM 987 CB ARG A 318 10.804 -6.434 -2.403 1.00 0.00 C ATOM 988 CG ARG A 318 10.990 -7.628 -3.324 1.00 0.00 C ATOM 989 CD ARG A 318 12.383 -7.649 -3.934 1.00 0.00 C ATOM 990 NE ARG A 318 12.680 -8.926 -4.578 1.00 0.00 N ATOM 991 CZ ARG A 318 13.819 -9.182 -5.212 1.00 0.00 C ATOM 992 NH1 ARG A 318 14.763 -8.254 -5.287 1.00 0.00 N ATOM 993 NH2 ARG A 318 14.015 -10.368 -5.773 1.00 0.00 N ATOM 0 H ARG A 318 10.610 -8.416 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 318 9.633 -5.739 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 318 10.614 -5.546 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 318 11.732 -6.257 -1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 318 10.822 -8.549 -2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 318 10.244 -7.596 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 318 12.471 -6.845 -4.665 1.00 0.00 H new ATOM 0 HD3 ARG A 318 13.122 -7.455 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 318 11.974 -9.661 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 318 14.616 -7.341 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 318 15.637 -8.453 -5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 318 13.291 -11.084 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 318 14.890 -10.564 -6.260 1.00 0.00 H new ATOM 1007 N VAL A 319 7.404 -5.814 -1.794 1.00 0.00 N ATOM 1008 CA VAL A 319 6.090 -5.798 -2.424 1.00 0.00 C ATOM 1009 C VAL A 319 5.753 -4.410 -2.958 1.00 0.00 C ATOM 1010 O VAL A 319 6.335 -3.412 -2.534 1.00 0.00 O ATOM 1011 CB VAL A 319 4.990 -6.239 -1.440 1.00 0.00 C ATOM 1012 CG1 VAL A 319 5.037 -7.744 -1.225 1.00 0.00 C ATOM 1013 CG2 VAL A 319 5.130 -5.498 -0.119 1.00 0.00 C ATOM 0 H VAL A 319 7.539 -5.095 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 319 6.129 -6.504 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 319 4.020 -5.989 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 319 4.253 -8.036 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 319 4.884 -8.252 -2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 319 6.008 -8.023 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 319 4.345 -5.821 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 319 6.104 -5.715 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 319 5.041 -4.426 -0.292 1.00 0.00 H new ATOM 1023 N LYS A 320 4.808 -4.354 -3.891 1.00 0.00 N ATOM 1024 CA LYS A 320 4.391 -3.089 -4.483 1.00 0.00 C ATOM 1025 C LYS A 320 3.019 -2.671 -3.962 1.00 0.00 C ATOM 1026 O LYS A 320 2.060 -3.440 -4.023 1.00 0.00 O ATOM 1027 CB LYS A 320 4.355 -3.203 -6.008 1.00 0.00 C ATOM 1028 CG LYS A 320 5.687 -3.601 -6.620 1.00 0.00 C ATOM 1029 CD LYS A 320 5.615 -3.642 -8.137 1.00 0.00 C ATOM 1030 CE LYS A 320 6.959 -3.313 -8.768 1.00 0.00 C ATOM 1031 NZ LYS A 320 7.795 -4.530 -8.960 1.00 0.00 N ATOM 0 H LYS A 320 4.316 -5.171 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 320 5.117 -2.327 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 320 3.601 -3.937 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 320 4.043 -2.247 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 320 6.456 -2.893 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 320 5.984 -4.580 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 320 5.293 -4.632 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 320 4.865 -2.933 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 320 6.799 -2.827 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 320 7.492 -2.602 -8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 320 8.702 -4.263 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 320 7.969 -4.980 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 320 7.298 -5.198 -9.583 1.00 0.00 H new ATOM 1045 N VAL A 321 2.934 -1.447 -3.450 1.00 0.00 N ATOM 1046 CA VAL A 321 1.679 -0.925 -2.921 1.00 0.00 C ATOM 1047 C VAL A 321 1.405 0.481 -3.442 1.00 0.00 C ATOM 1048 O VAL A 321 2.309 1.165 -3.922 1.00 0.00 O ATOM 1049 CB VAL A 321 1.688 -0.898 -1.381 1.00 0.00 C ATOM 1050 CG1 VAL A 321 1.653 -2.312 -0.821 1.00 0.00 C ATOM 1051 CG2 VAL A 321 2.905 -0.143 -0.869 1.00 0.00 C ATOM 0 H VAL A 321 3.719 -0.799 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 321 0.889 -1.595 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 321 0.794 -0.376 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 321 1.660 -2.272 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 321 0.748 -2.815 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 321 2.526 -2.863 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 321 2.895 -0.134 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 321 3.812 -0.635 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 321 2.881 0.881 -1.241 1.00 0.00 H new ATOM 1061 N LYS A 322 0.151 0.908 -3.344 1.00 0.00 N ATOM 1062 CA LYS A 322 -0.245 2.234 -3.803 1.00 0.00 C ATOM 1063 C LYS A 322 -0.954 3.005 -2.695 1.00 0.00 C ATOM 1064 O LYS A 322 -1.799 2.457 -1.986 1.00 0.00 O ATOM 1065 CB LYS A 322 -1.158 2.122 -5.026 1.00 0.00 C ATOM 1066 CG LYS A 322 -1.770 3.445 -5.451 1.00 0.00 C ATOM 1067 CD LYS A 322 -3.152 3.639 -4.849 1.00 0.00 C ATOM 1068 CE LYS A 322 -4.241 3.111 -5.770 1.00 0.00 C ATOM 1069 NZ LYS A 322 -5.528 2.911 -5.049 1.00 0.00 N ATOM 0 H LYS A 322 -0.610 0.354 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 322 0.658 2.779 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 322 -0.587 1.711 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 322 -1.958 1.414 -4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 322 -1.120 4.264 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 322 -1.837 3.483 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 322 -3.207 3.127 -3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 322 -3.320 4.698 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 322 -4.391 3.810 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 322 -3.920 2.166 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 322 -6.309 2.884 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 322 -5.496 2.014 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 322 -5.679 3.696 -4.383 1.00 0.00 H new ATOM 1083 N VAL A 323 -0.607 4.280 -2.551 1.00 0.00 N ATOM 1084 CA VAL A 323 -1.213 5.127 -1.530 1.00 0.00 C ATOM 1085 C VAL A 323 -2.697 5.343 -1.805 1.00 0.00 C ATOM 1086 O VAL A 323 -3.075 5.879 -2.848 1.00 0.00 O ATOM 1087 CB VAL A 323 -0.512 6.496 -1.449 1.00 0.00 C ATOM 1088 CG1 VAL A 323 -1.143 7.355 -0.364 1.00 0.00 C ATOM 1089 CG2 VAL A 323 0.978 6.318 -1.200 1.00 0.00 C ATOM 0 H VAL A 323 0.091 4.749 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 323 -1.095 4.610 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 323 -0.639 7.007 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 323 -0.635 8.318 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 323 -2.198 7.511 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 323 -1.049 6.852 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 323 1.457 7.296 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 323 1.129 5.787 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 323 1.417 5.744 -2.016 1.00 0.00 H new ATOM 1099 N LEU A 324 -3.534 4.923 -0.863 1.00 0.00 N ATOM 1100 CA LEU A 324 -4.979 5.070 -1.003 1.00 0.00 C ATOM 1101 C LEU A 324 -5.439 6.431 -0.489 1.00 0.00 C ATOM 1102 O LEU A 324 -6.217 7.123 -1.146 1.00 0.00 O ATOM 1103 CB LEU A 324 -5.701 3.955 -0.245 1.00 0.00 C ATOM 1104 CG LEU A 324 -5.405 2.528 -0.709 1.00 0.00 C ATOM 1105 CD1 LEU A 324 -6.076 1.519 0.210 1.00 0.00 C ATOM 1106 CD2 LEU A 324 -5.862 2.329 -2.146 1.00 0.00 C ATOM 0 H LEU A 324 -3.237 4.478 0.006 1.00 0.00 H new ATOM 0 HA LEU A 324 -5.226 4.999 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -5.442 4.034 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -6.775 4.126 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 324 -4.328 2.368 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -5.855 0.509 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -5.701 1.646 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -7.154 1.678 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 324 -5.643 1.308 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -6.935 2.508 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 324 -5.335 3.028 -2.795 1.00 0.00 H new ATOM 1118 N SER A 325 -4.952 6.809 0.688 1.00 0.00 N ATOM 1119 CA SER A 325 -5.314 8.086 1.291 1.00 0.00 C ATOM 1120 C SER A 325 -4.326 8.468 2.389 1.00 0.00 C ATOM 1121 O SER A 325 -3.792 7.606 3.087 1.00 0.00 O ATOM 1122 CB SER A 325 -6.731 8.019 1.865 1.00 0.00 C ATOM 1123 OG SER A 325 -6.982 6.757 2.459 1.00 0.00 O ATOM 0 H SER A 325 -4.305 6.249 1.243 1.00 0.00 H new ATOM 0 HA SER A 325 -5.280 8.850 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 325 -6.864 8.806 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 325 -7.457 8.202 1.073 1.00 0.00 H new ATOM 0 HG SER A 325 -7.893 6.741 2.820 1.00 0.00 H new ATOM 1129 N PHE A 326 -4.088 9.767 2.536 1.00 0.00 N ATOM 1130 CA PHE A 326 -3.164 10.266 3.548 1.00 0.00 C ATOM 1131 C PHE A 326 -3.799 11.393 4.357 1.00 0.00 C ATOM 1132 O PHE A 326 -4.334 12.351 3.797 1.00 0.00 O ATOM 1133 CB PHE A 326 -1.873 10.759 2.891 1.00 0.00 C ATOM 1134 CG PHE A 326 -1.001 11.563 3.813 1.00 0.00 C ATOM 1135 CD1 PHE A 326 -1.154 12.937 3.910 1.00 0.00 C ATOM 1136 CD2 PHE A 326 -0.029 10.945 4.582 1.00 0.00 C ATOM 1137 CE1 PHE A 326 -0.352 13.679 4.757 1.00 0.00 C ATOM 1138 CE2 PHE A 326 0.776 11.682 5.431 1.00 0.00 C ATOM 1139 CZ PHE A 326 0.613 13.050 5.519 1.00 0.00 C ATOM 0 H PHE A 326 -4.522 10.494 1.967 1.00 0.00 H new ATOM 0 HA PHE A 326 -2.929 9.445 4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 326 -1.309 9.900 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 326 -2.126 11.366 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 326 -1.908 13.434 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 326 0.102 9.875 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 326 -0.480 14.749 4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 326 1.531 11.188 6.024 1.00 0.00 H new ATOM 0 HZ PHE A 326 1.239 13.628 6.183 1.00 0.00 H new ATOM 1149 N THR A 327 -3.738 11.271 5.680 1.00 0.00 N ATOM 1150 CA THR A 327 -4.308 12.277 6.567 1.00 0.00 C ATOM 1151 C THR A 327 -3.510 12.384 7.861 1.00 0.00 C ATOM 1152 O THR A 327 -3.520 11.470 8.685 1.00 0.00 O ATOM 1153 CB THR A 327 -5.776 11.959 6.907 1.00 0.00 C ATOM 1154 OG1 THR A 327 -6.310 12.972 7.767 1.00 0.00 O ATOM 1155 CG2 THR A 327 -5.894 10.601 7.581 1.00 0.00 C ATOM 0 H THR A 327 -3.299 10.485 6.160 1.00 0.00 H new ATOM 0 HA THR A 327 -4.264 13.228 6.036 1.00 0.00 H new ATOM 0 HB THR A 327 -6.344 11.936 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 327 -7.244 12.763 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 327 -6.940 10.399 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 327 -5.514 9.829 6.912 1.00 0.00 H new ATOM 0 HG23 THR A 327 -5.313 10.601 8.503 1.00 0.00 H new ATOM 1163 N GLY A 328 -2.820 13.507 8.035 1.00 0.00 N ATOM 1164 CA GLY A 328 -2.026 13.712 9.233 1.00 0.00 C ATOM 1165 C GLY A 328 -0.852 12.758 9.321 1.00 0.00 C ATOM 1166 O GLY A 328 0.180 12.969 8.684 1.00 0.00 O ATOM 0 H GLY A 328 -2.797 14.278 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 328 -1.658 14.738 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 328 -2.659 13.586 10.111 1.00 0.00 H new ATOM 1170 N THR A 329 -1.007 11.703 10.116 1.00 0.00 N ATOM 1171 CA THR A 329 0.049 10.714 10.288 1.00 0.00 C ATOM 1172 C THR A 329 -0.438 9.318 9.915 1.00 0.00 C ATOM 1173 O THR A 329 0.020 8.320 10.470 1.00 0.00 O ATOM 1174 CB THR A 329 0.568 10.693 11.738 1.00 0.00 C ATOM 1175 OG1 THR A 329 0.751 12.032 12.212 1.00 0.00 O ATOM 1176 CG2 THR A 329 1.882 9.932 11.832 1.00 0.00 C ATOM 0 H THR A 329 -1.854 11.512 10.651 1.00 0.00 H new ATOM 0 HA THR A 329 0.863 11.002 9.622 1.00 0.00 H new ATOM 0 HB THR A 329 -0.172 10.186 12.358 1.00 0.00 H new ATOM 0 HG1 THR A 329 1.079 12.010 13.135 1.00 0.00 H new ATOM 0 HG21 THR A 329 2.229 9.931 12.865 1.00 0.00 H new ATOM 0 HG22 THR A 329 1.732 8.905 11.498 1.00 0.00 H new ATOM 0 HG23 THR A 329 2.628 10.414 11.200 1.00 0.00 H new ATOM 1184 N LYS A 330 -1.370 9.255 8.969 1.00 0.00 N ATOM 1185 CA LYS A 330 -1.918 7.982 8.519 1.00 0.00 C ATOM 1186 C LYS A 330 -1.699 7.794 7.021 1.00 0.00 C ATOM 1187 O LYS A 330 -2.141 8.608 6.210 1.00 0.00 O ATOM 1188 CB LYS A 330 -3.413 7.905 8.839 1.00 0.00 C ATOM 1189 CG LYS A 330 -3.950 6.486 8.899 1.00 0.00 C ATOM 1190 CD LYS A 330 -5.424 6.462 9.266 1.00 0.00 C ATOM 1191 CE LYS A 330 -6.293 6.954 8.118 1.00 0.00 C ATOM 1192 NZ LYS A 330 -6.690 5.845 7.208 1.00 0.00 N ATOM 0 H LYS A 330 -1.761 10.072 8.500 1.00 0.00 H new ATOM 0 HA LYS A 330 -1.397 7.184 9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 330 -3.597 8.395 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 330 -3.967 8.462 8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 330 -3.807 6.001 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 330 -3.382 5.912 9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 330 -5.716 5.447 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 330 -5.592 7.086 10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 330 -7.187 7.433 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 330 -5.752 7.712 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 -7.281 6.221 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 -5.838 5.404 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 -7.229 5.134 7.742 1.00 0.00 H new ATOM 1206 N THR A 331 -1.013 6.714 6.659 1.00 0.00 N ATOM 1207 CA THR A 331 -0.735 6.419 5.259 1.00 0.00 C ATOM 1208 C THR A 331 -1.272 5.046 4.869 1.00 0.00 C ATOM 1209 O THR A 331 -0.692 4.019 5.221 1.00 0.00 O ATOM 1210 CB THR A 331 0.776 6.469 4.964 1.00 0.00 C ATOM 1211 OG1 THR A 331 1.356 7.627 5.574 1.00 0.00 O ATOM 1212 CG2 THR A 331 1.033 6.497 3.465 1.00 0.00 C ATOM 0 H THR A 331 -0.640 6.029 7.316 1.00 0.00 H new ATOM 0 HA THR A 331 -1.239 7.184 4.669 1.00 0.00 H new ATOM 0 HB THR A 331 1.235 5.572 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 331 2.317 7.651 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 331 2.107 6.532 3.281 1.00 0.00 H new ATOM 0 HG22 THR A 331 0.615 5.600 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 331 0.561 7.379 3.031 1.00 0.00 H new ATOM 1220 N SER A 332 -2.384 5.036 4.140 1.00 0.00 N ATOM 1221 CA SER A 332 -3.001 3.789 3.705 1.00 0.00 C ATOM 1222 C SER A 332 -2.289 3.230 2.477 1.00 0.00 C ATOM 1223 O SER A 332 -1.830 3.982 1.615 1.00 0.00 O ATOM 1224 CB SER A 332 -4.483 4.010 3.393 1.00 0.00 C ATOM 1225 OG SER A 332 -5.216 4.286 4.574 1.00 0.00 O ATOM 0 H SER A 332 -2.875 5.877 3.839 1.00 0.00 H new ATOM 0 HA SER A 332 -2.912 3.066 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.591 4.838 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.892 3.125 2.906 1.00 0.00 H new ATOM 0 HG SER A 332 -6.159 4.425 4.348 1.00 0.00 H new ATOM 1231 N LEU A 333 -2.202 1.907 2.403 1.00 0.00 N ATOM 1232 CA LEU A 333 -1.546 1.245 1.280 1.00 0.00 C ATOM 1233 C LEU A 333 -2.339 0.023 0.830 1.00 0.00 C ATOM 1234 O LEU A 333 -2.858 -0.731 1.653 1.00 0.00 O ATOM 1235 CB LEU A 333 -0.125 0.831 1.666 1.00 0.00 C ATOM 1236 CG LEU A 333 0.836 1.969 2.010 1.00 0.00 C ATOM 1237 CD1 LEU A 333 2.171 1.416 2.486 1.00 0.00 C ATOM 1238 CD2 LEU A 333 1.033 2.882 0.808 1.00 0.00 C ATOM 0 H LEU A 333 -2.577 1.271 3.107 1.00 0.00 H new ATOM 0 HA LEU A 333 -1.500 1.951 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -0.184 0.160 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 333 0.302 0.259 0.842 1.00 0.00 H new ATOM 0 HG LEU A 333 0.400 2.555 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 333 2.842 2.241 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 333 2.015 0.804 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 333 2.614 0.806 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 333 1.720 3.686 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 333 1.447 2.308 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 333 0.074 3.306 0.512 1.00 0.00 H new ATOM 1250 N SER A 334 -2.428 -0.168 -0.483 1.00 0.00 N ATOM 1251 CA SER A 334 -3.160 -1.298 -1.043 1.00 0.00 C ATOM 1252 C SER A 334 -2.238 -2.182 -1.878 1.00 0.00 C ATOM 1253 O SER A 334 -1.300 -1.697 -2.510 1.00 0.00 O ATOM 1254 CB SER A 334 -4.325 -0.803 -1.902 1.00 0.00 C ATOM 1255 OG SER A 334 -5.387 -1.742 -1.911 1.00 0.00 O ATOM 0 H SER A 334 -2.002 0.445 -1.178 1.00 0.00 H new ATOM 0 HA SER A 334 -3.553 -1.890 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 334 -4.683 0.152 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 334 -3.981 -0.629 -2.921 1.00 0.00 H new ATOM 0 HG SER A 334 -6.046 -1.484 -2.589 1.00 0.00 H new ATOM 1261 N MET A 335 -2.512 -3.483 -1.873 1.00 0.00 N ATOM 1262 CA MET A 335 -1.708 -4.435 -2.630 1.00 0.00 C ATOM 1263 C MET A 335 -2.520 -5.051 -3.765 1.00 0.00 C ATOM 1264 O MET A 335 -2.070 -5.099 -4.910 1.00 0.00 O ATOM 1265 CB MET A 335 -1.181 -5.537 -1.708 1.00 0.00 C ATOM 1266 CG MET A 335 0.033 -5.119 -0.895 1.00 0.00 C ATOM 1267 SD MET A 335 0.649 -6.443 0.163 1.00 0.00 S ATOM 1268 CE MET A 335 1.270 -7.594 -1.061 1.00 0.00 C ATOM 0 H MET A 335 -3.284 -3.901 -1.354 1.00 0.00 H new ATOM 0 HA MET A 335 -0.864 -3.897 -3.061 1.00 0.00 H new ATOM 0 HB2 MET A 335 -1.976 -5.842 -1.028 1.00 0.00 H new ATOM 0 HB3 MET A 335 -0.923 -6.410 -2.308 1.00 0.00 H new ATOM 0 HG2 MET A 335 0.826 -4.801 -1.571 1.00 0.00 H new ATOM 0 HG3 MET A 335 -0.226 -4.258 -0.279 1.00 0.00 H new ATOM 0 HE1 MET A 335 2.160 -8.091 -0.675 1.00 0.00 H new ATOM 0 HE2 MET A 335 0.505 -8.339 -1.281 1.00 0.00 H new ATOM 0 HE3 MET A 335 1.523 -7.054 -1.973 1.00 0.00 H new ATOM 1278 N LYS A 336 -3.720 -5.522 -3.440 1.00 0.00 N ATOM 1279 CA LYS A 336 -4.596 -6.135 -4.431 1.00 0.00 C ATOM 1280 C LYS A 336 -4.955 -5.139 -5.530 1.00 0.00 C ATOM 1281 O LYS A 336 -5.364 -5.528 -6.624 1.00 0.00 O ATOM 1282 CB LYS A 336 -5.871 -6.654 -3.763 1.00 0.00 C ATOM 1283 CG LYS A 336 -6.680 -5.571 -3.071 1.00 0.00 C ATOM 1284 CD LYS A 336 -8.091 -6.041 -2.761 1.00 0.00 C ATOM 1285 CE LYS A 336 -8.940 -4.916 -2.189 1.00 0.00 C ATOM 1286 NZ LYS A 336 -10.393 -5.240 -2.234 1.00 0.00 N ATOM 0 H LYS A 336 -4.108 -5.491 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 336 -4.063 -6.972 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -6.495 -7.137 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.603 -7.418 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.182 -5.278 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -6.722 -4.685 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -8.556 -6.423 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -8.053 -6.867 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -8.642 -4.724 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -8.755 -4.000 -2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -10.938 -4.449 -1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -10.683 -5.398 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -10.574 -6.100 -1.678 1.00 0.00 H new ATOM 1300 N ASP A 337 -4.797 -3.854 -5.231 1.00 0.00 N ATOM 1301 CA ASP A 337 -5.102 -2.802 -6.195 1.00 0.00 C ATOM 1302 C ASP A 337 -3.856 -2.411 -6.984 1.00 0.00 C ATOM 1303 O ASP A 337 -3.931 -1.635 -7.937 1.00 0.00 O ATOM 1304 CB ASP A 337 -5.674 -1.577 -5.480 1.00 0.00 C ATOM 1305 CG ASP A 337 -7.150 -1.725 -5.168 1.00 0.00 C ATOM 1306 OD1 ASP A 337 -7.829 -2.506 -5.867 1.00 0.00 O ATOM 1307 OD2 ASP A 337 -7.625 -1.062 -4.223 1.00 0.00 O ATOM 0 H ASP A 337 -4.460 -3.516 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 337 -5.846 -3.186 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 337 -5.125 -1.412 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 337 -5.524 -0.694 -6.102 1.00 0.00 H new ATOM 1312 N VAL A 338 -2.712 -2.953 -6.581 1.00 0.00 N ATOM 1313 CA VAL A 338 -1.450 -2.661 -7.250 1.00 0.00 C ATOM 1314 C VAL A 338 -0.840 -3.924 -7.850 1.00 0.00 C ATOM 1315 O VAL A 338 -0.769 -4.963 -7.193 1.00 0.00 O ATOM 1316 CB VAL A 338 -0.435 -2.024 -6.282 1.00 0.00 C ATOM 1317 CG1 VAL A 338 0.907 -1.826 -6.970 1.00 0.00 C ATOM 1318 CG2 VAL A 338 -0.968 -0.705 -5.744 1.00 0.00 C ATOM 0 H VAL A 338 -2.633 -3.597 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 338 -1.672 -1.953 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 338 -0.288 -2.700 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 338 1.611 -1.375 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 338 1.292 -2.790 -7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 338 0.781 -1.170 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 338 -0.238 -0.269 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 338 -1.145 -0.019 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 338 -1.903 -0.880 -5.212 1.00 0.00 H new ATOM 1328 N ASP A 339 -0.402 -3.826 -9.100 1.00 0.00 N ATOM 1329 CA ASP A 339 0.203 -4.960 -9.788 1.00 0.00 C ATOM 1330 C ASP A 339 1.593 -5.255 -9.232 1.00 0.00 C ATOM 1331 O ASP A 339 2.186 -4.422 -8.547 1.00 0.00 O ATOM 1332 CB ASP A 339 0.289 -4.686 -11.290 1.00 0.00 C ATOM 1333 CG ASP A 339 0.464 -5.955 -12.102 1.00 0.00 C ATOM 1334 OD1 ASP A 339 -0.559 -6.560 -12.485 1.00 0.00 O ATOM 1335 OD2 ASP A 339 1.624 -6.342 -12.354 1.00 0.00 O ATOM 0 H ASP A 339 -0.455 -2.973 -9.657 1.00 0.00 H new ATOM 0 HA ASP A 339 -0.428 -5.833 -9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -0.616 -4.172 -11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 339 1.125 -4.014 -11.486 1.00 0.00 H new ATOM 1340 N GLN A 340 2.105 -6.444 -9.533 1.00 0.00 N ATOM 1341 CA GLN A 340 3.425 -6.848 -9.061 1.00 0.00 C ATOM 1342 C GLN A 340 4.364 -7.111 -10.233 1.00 0.00 C ATOM 1343 O GLN A 340 5.584 -7.033 -10.091 1.00 0.00 O ATOM 1344 CB GLN A 340 3.316 -8.099 -8.188 1.00 0.00 C ATOM 1345 CG GLN A 340 2.340 -7.951 -7.032 1.00 0.00 C ATOM 1346 CD GLN A 340 2.774 -6.897 -6.033 1.00 0.00 C ATOM 1347 OE1 GLN A 340 3.893 -6.933 -5.520 1.00 0.00 O ATOM 1348 NE2 GLN A 340 1.888 -5.948 -5.751 1.00 0.00 N ATOM 0 H GLN A 340 1.627 -7.144 -10.101 1.00 0.00 H new ATOM 0 HA GLN A 340 3.836 -6.033 -8.465 1.00 0.00 H new ATOM 0 HB2 GLN A 340 3.006 -8.939 -8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 340 4.302 -8.342 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 340 1.356 -7.692 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 340 2.238 -8.909 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 340 0.972 -5.956 -6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 340 2.124 -5.211 -5.086 1.00 0.00 H new ATOM 1357 N GLU A 341 3.788 -7.424 -11.389 1.00 0.00 N ATOM 1358 CA GLU A 341 4.575 -7.700 -12.585 1.00 0.00 C ATOM 1359 C GLU A 341 5.149 -6.412 -13.168 1.00 0.00 C ATOM 1360 O GLU A 341 6.232 -6.410 -13.755 1.00 0.00 O ATOM 1361 CB GLU A 341 3.718 -8.410 -13.634 1.00 0.00 C ATOM 1362 CG GLU A 341 4.488 -8.803 -14.884 1.00 0.00 C ATOM 1363 CD GLU A 341 3.703 -9.740 -15.782 1.00 0.00 C ATOM 1364 OE1 GLU A 341 3.371 -10.856 -15.330 1.00 0.00 O ATOM 1365 OE2 GLU A 341 3.422 -9.358 -16.937 1.00 0.00 O ATOM 0 H GLU A 341 2.779 -7.493 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 341 5.402 -8.351 -12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 341 3.282 -9.305 -13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 341 2.891 -7.759 -13.917 1.00 0.00 H new ATOM 0 HG2 GLU A 341 4.749 -7.904 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 341 5.423 -9.282 -14.595 1.00 0.00 H new ATOM 1372 N THR A 342 4.415 -5.316 -13.002 1.00 0.00 N ATOM 1373 CA THR A 342 4.849 -4.021 -13.512 1.00 0.00 C ATOM 1374 C THR A 342 4.687 -2.932 -12.457 1.00 0.00 C ATOM 1375 O THR A 342 5.502 -2.014 -12.369 1.00 0.00 O ATOM 1376 CB THR A 342 4.059 -3.621 -14.772 1.00 0.00 C ATOM 1377 OG1 THR A 342 2.691 -3.366 -14.432 1.00 0.00 O ATOM 1378 CG2 THR A 342 4.130 -4.716 -15.826 1.00 0.00 C ATOM 0 H THR A 342 3.517 -5.299 -12.518 1.00 0.00 H new ATOM 0 HA THR A 342 5.904 -4.120 -13.769 1.00 0.00 H new ATOM 0 HB THR A 342 4.506 -2.715 -15.182 1.00 0.00 H new ATOM 0 HG1 THR A 342 2.163 -3.268 -15.252 1.00 0.00 H new ATOM 0 HG21 THR A 342 3.565 -4.411 -16.707 1.00 0.00 H new ATOM 0 HG22 THR A 342 5.170 -4.887 -16.104 1.00 0.00 H new ATOM 0 HG23 THR A 342 3.706 -5.636 -15.424 1.00 0.00 H new ATOM 1386 N GLY A 343 3.630 -3.041 -11.658 1.00 0.00 N ATOM 1387 CA GLY A 343 3.382 -2.059 -10.619 1.00 0.00 C ATOM 1388 C GLY A 343 2.650 -0.837 -11.139 1.00 0.00 C ATOM 1389 O GLY A 343 2.939 0.287 -10.732 1.00 0.00 O ATOM 0 H GLY A 343 2.941 -3.792 -11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 343 2.797 -2.518 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 343 4.331 -1.751 -10.180 1.00 0.00 H new ATOM 1393 N GLU A 344 1.700 -1.059 -12.043 1.00 0.00 N ATOM 1394 CA GLU A 344 0.927 0.034 -12.620 1.00 0.00 C ATOM 1395 C GLU A 344 -0.303 0.340 -11.770 1.00 0.00 C ATOM 1396 O GLU A 344 -0.497 -0.249 -10.706 1.00 0.00 O ATOM 1397 CB GLU A 344 0.500 -0.313 -14.048 1.00 0.00 C ATOM 1398 CG GLU A 344 1.498 0.127 -15.106 1.00 0.00 C ATOM 1399 CD GLU A 344 2.830 -0.587 -14.983 1.00 0.00 C ATOM 1400 OE1 GLU A 344 3.341 -0.697 -13.849 1.00 0.00 O ATOM 1401 OE2 GLU A 344 3.362 -1.035 -16.021 1.00 0.00 O ATOM 0 H GLU A 344 1.448 -1.984 -12.391 1.00 0.00 H new ATOM 0 HA GLU A 344 1.561 0.921 -12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 344 0.355 -1.391 -14.123 1.00 0.00 H new ATOM 0 HB3 GLU A 344 -0.464 0.153 -14.253 1.00 0.00 H new ATOM 0 HG2 GLU A 344 1.080 -0.060 -16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 344 1.657 1.202 -15.025 1.00 0.00 H new ATOM 1408 N ASP A 345 -1.130 1.264 -12.247 1.00 0.00 N ATOM 1409 CA ASP A 345 -2.341 1.648 -11.532 1.00 0.00 C ATOM 1410 C ASP A 345 -3.538 0.833 -12.013 1.00 0.00 C ATOM 1411 O ASP A 345 -4.068 1.071 -13.099 1.00 0.00 O ATOM 1412 CB ASP A 345 -2.617 3.141 -11.718 1.00 0.00 C ATOM 1413 CG ASP A 345 -4.036 3.518 -11.342 1.00 0.00 C ATOM 1414 OD1 ASP A 345 -4.290 3.752 -10.142 1.00 0.00 O ATOM 1415 OD2 ASP A 345 -4.894 3.579 -12.248 1.00 0.00 O ATOM 0 H ASP A 345 -0.984 1.761 -13.126 1.00 0.00 H new ATOM 0 HA ASP A 345 -2.188 1.444 -10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -1.918 3.715 -11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -2.435 3.415 -12.757 1.00 0.00 H new