USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 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 269 ASN : amide:sc= 0.541 K(o=1.1,f=-0.82) USER MOD Set 1.2: A 320 LYS NZ :NH3+ -122:sc= 0.588 (180deg=0) USER MOD Set 2.1: A 314 SER OG : rot -72:sc= -0.908 USER MOD Set 2.2: A 317 GLN : amide:sc= -0.943 K(o=-1.9,f=-1.1) USER MOD Single : A 263 THR OG1 : rot 180:sc= 0 USER MOD Single : A 268 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 271 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 273 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 30:sc= 0.192 USER MOD Single : A 276 MET CE :methyl 173:sc= -9.22! (180deg=-9.96!) USER MOD Single : A 277 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.2!) USER MOD Single : A 280 CYS SG : rot 26:sc= -0.394 USER MOD Single : A 283 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 289 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 HIS : no HD1:sc= -2.02! C(o=-2!,f=-4.8!) USER MOD Single : A 298 SER OG : rot 180:sc= 0 USER MOD Single : A 315 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 322 LYS NZ :NH3+ 140:sc= -1.13 (180deg=-1.84) 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 330 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 331 THR OG1 : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 SER OG : rot -130:sc= -0.853 USER MOD Single : A 335 MET CE :methyl 153:sc= -0.299 (180deg=-1.45) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 340 GLN : amide:sc= 1.45 K(o=1.4,f=-3.4!) USER MOD Single : A 342 THR OG1 : rot 167:sc= 0.00638 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 260 9.074 14.925 0.463 1.00 0.00 N ATOM 67 CA GLU A 260 8.954 14.350 1.798 1.00 0.00 C ATOM 68 C GLU A 260 7.709 13.473 1.902 1.00 0.00 C ATOM 69 O GLU A 260 7.800 12.284 2.205 1.00 0.00 O ATOM 70 CB GLU A 260 8.899 15.459 2.851 1.00 0.00 C ATOM 71 CG GLU A 260 10.268 15.974 3.264 1.00 0.00 C ATOM 72 CD GLU A 260 10.187 17.079 4.298 1.00 0.00 C ATOM 73 OE1 GLU A 260 9.164 17.151 5.011 1.00 0.00 O ATOM 74 OE2 GLU A 260 11.147 17.873 4.396 1.00 0.00 O ATOM 0 HA GLU A 260 9.831 13.729 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 260 8.310 16.289 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 260 8.379 15.085 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 260 10.857 15.149 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 260 10.794 16.343 2.384 1.00 0.00 H new ATOM 81 N GLU A 261 6.549 14.069 1.649 1.00 0.00 N ATOM 82 CA GLU A 261 5.286 13.343 1.716 1.00 0.00 C ATOM 83 C GLU A 261 4.919 12.764 0.353 1.00 0.00 C ATOM 84 O GLU A 261 5.168 13.365 -0.693 1.00 0.00 O ATOM 85 CB GLU A 261 4.168 14.263 2.210 1.00 0.00 C ATOM 86 CG GLU A 261 4.360 14.740 3.640 1.00 0.00 C ATOM 87 CD GLU A 261 3.107 15.368 4.219 1.00 0.00 C ATOM 88 OE1 GLU A 261 2.230 15.776 3.429 1.00 0.00 O ATOM 89 OE2 GLU A 261 3.004 15.452 5.460 1.00 0.00 O ATOM 0 H GLU A 261 6.457 15.053 1.396 1.00 0.00 H new ATOM 0 HA GLU A 261 5.406 12.520 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 261 4.105 15.130 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 261 3.216 13.737 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 261 4.661 13.897 4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 261 5.173 15.465 3.671 1.00 0.00 H new ATOM 96 N PRO A 262 4.312 11.568 0.362 1.00 0.00 N ATOM 97 CA PRO A 262 3.896 10.881 -0.865 1.00 0.00 C ATOM 98 C PRO A 262 2.727 11.579 -1.552 1.00 0.00 C ATOM 99 O PRO A 262 2.372 12.706 -1.205 1.00 0.00 O ATOM 100 CB PRO A 262 3.476 9.495 -0.370 1.00 0.00 C ATOM 101 CG PRO A 262 3.089 9.702 1.053 1.00 0.00 C ATOM 102 CD PRO A 262 3.984 10.794 1.571 1.00 0.00 C ATOM 0 HA PRO A 262 4.691 10.859 -1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 262 2.643 9.102 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 262 4.293 8.779 -0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 262 2.040 9.986 1.135 1.00 0.00 H new ATOM 0 HG3 PRO A 262 3.217 8.786 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 262 3.479 11.408 2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 262 4.879 10.390 2.044 1.00 0.00 H new ATOM 110 N THR A 263 2.131 10.901 -2.529 1.00 0.00 N ATOM 111 CA THR A 263 1.003 11.456 -3.265 1.00 0.00 C ATOM 112 C THR A 263 -0.126 10.439 -3.389 1.00 0.00 C ATOM 113 O THR A 263 0.116 9.254 -3.619 1.00 0.00 O ATOM 114 CB THR A 263 1.422 11.915 -4.674 1.00 0.00 C ATOM 115 OG1 THR A 263 2.445 12.913 -4.580 1.00 0.00 O ATOM 116 CG2 THR A 263 0.231 12.473 -5.439 1.00 0.00 C ATOM 0 H THR A 263 2.411 9.967 -2.828 1.00 0.00 H new ATOM 0 HA THR A 263 0.651 12.319 -2.700 1.00 0.00 H new ATOM 0 HB THR A 263 1.807 11.050 -5.214 1.00 0.00 H new ATOM 0 HG1 THR A 263 2.707 13.199 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 263 0.552 12.791 -6.431 1.00 0.00 H new ATOM 0 HG22 THR A 263 -0.534 11.702 -5.535 1.00 0.00 H new ATOM 0 HG23 THR A 263 -0.180 13.327 -4.900 1.00 0.00 H new ATOM 124 N ILE A 264 -1.359 10.910 -3.236 1.00 0.00 N ATOM 125 CA ILE A 264 -2.525 10.040 -3.333 1.00 0.00 C ATOM 126 C ILE A 264 -2.741 9.568 -4.767 1.00 0.00 C ATOM 127 O ILE A 264 -2.621 10.346 -5.712 1.00 0.00 O ATOM 128 CB ILE A 264 -3.800 10.751 -2.841 1.00 0.00 C ATOM 129 CG1 ILE A 264 -3.651 11.152 -1.372 1.00 0.00 C ATOM 130 CG2 ILE A 264 -5.014 9.853 -3.031 1.00 0.00 C ATOM 131 CD1 ILE A 264 -4.712 12.121 -0.900 1.00 0.00 C ATOM 0 H ILE A 264 -1.576 11.888 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.330 9.178 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 264 -3.946 11.655 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -3.688 10.255 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.669 11.601 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -5.907 10.369 -2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -5.127 9.613 -4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -4.879 8.933 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -4.544 12.361 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -4.661 13.034 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -5.696 11.667 -1.016 1.00 0.00 H new ATOM 143 N GLY A 265 -3.064 8.288 -4.921 1.00 0.00 N ATOM 144 CA GLY A 265 -3.294 7.734 -6.242 1.00 0.00 C ATOM 145 C GLY A 265 -2.020 7.227 -6.888 1.00 0.00 C ATOM 146 O GLY A 265 -2.059 6.340 -7.741 1.00 0.00 O ATOM 0 H GLY A 265 -3.171 7.624 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -4.011 6.916 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -3.742 8.496 -6.879 1.00 0.00 H new ATOM 150 N ASP A 266 -0.888 7.791 -6.482 1.00 0.00 N ATOM 151 CA ASP A 266 0.404 7.391 -7.028 1.00 0.00 C ATOM 152 C ASP A 266 0.872 6.077 -6.410 1.00 0.00 C ATOM 153 O ASP A 266 0.639 5.818 -5.229 1.00 0.00 O ATOM 154 CB ASP A 266 1.446 8.484 -6.782 1.00 0.00 C ATOM 155 CG ASP A 266 1.432 9.550 -7.860 1.00 0.00 C ATOM 156 OD1 ASP A 266 0.357 10.138 -8.099 1.00 0.00 O ATOM 157 OD2 ASP A 266 2.497 9.795 -8.466 1.00 0.00 O ATOM 0 H ASP A 266 -0.839 8.526 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 266 0.288 7.246 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 266 1.260 8.948 -5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 266 2.437 8.033 -6.734 1.00 0.00 H new ATOM 162 N ILE A 267 1.530 5.251 -7.216 1.00 0.00 N ATOM 163 CA ILE A 267 2.030 3.965 -6.748 1.00 0.00 C ATOM 164 C ILE A 267 3.486 4.068 -6.307 1.00 0.00 C ATOM 165 O ILE A 267 4.311 4.676 -6.990 1.00 0.00 O ATOM 166 CB ILE A 267 1.911 2.884 -7.839 1.00 0.00 C ATOM 167 CG1 ILE A 267 0.440 2.569 -8.117 1.00 0.00 C ATOM 168 CG2 ILE A 267 2.658 1.626 -7.421 1.00 0.00 C ATOM 169 CD1 ILE A 267 -0.169 3.434 -9.199 1.00 0.00 C ATOM 0 H ILE A 267 1.729 5.450 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 267 1.414 3.679 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 267 2.361 3.263 -8.756 1.00 0.00 H new ATOM 0 HG12 ILE A 267 0.349 1.522 -8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 267 -0.131 2.696 -7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 267 2.565 0.871 -8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 267 3.711 1.862 -7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 267 2.234 1.242 -6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 267 -1.213 3.155 -9.343 1.00 0.00 H new ATOM 0 HD12 ILE A 267 -0.110 4.482 -8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 267 0.377 3.289 -10.131 1.00 0.00 H new ATOM 181 N TYR A 268 3.796 3.469 -5.162 1.00 0.00 N ATOM 182 CA TYR A 268 5.153 3.494 -4.629 1.00 0.00 C ATOM 183 C TYR A 268 5.627 2.086 -4.282 1.00 0.00 C ATOM 184 O TYR A 268 4.836 1.145 -4.241 1.00 0.00 O ATOM 185 CB TYR A 268 5.220 4.387 -3.390 1.00 0.00 C ATOM 186 CG TYR A 268 4.825 5.822 -3.656 1.00 0.00 C ATOM 187 CD1 TYR A 268 3.516 6.154 -3.984 1.00 0.00 C ATOM 188 CD2 TYR A 268 5.760 6.847 -3.578 1.00 0.00 C ATOM 189 CE1 TYR A 268 3.151 7.464 -4.228 1.00 0.00 C ATOM 190 CE2 TYR A 268 5.404 8.159 -3.819 1.00 0.00 C ATOM 191 CZ TYR A 268 4.099 8.463 -4.144 1.00 0.00 C ATOM 192 OH TYR A 268 3.739 9.769 -4.386 1.00 0.00 O ATOM 0 H TYR A 268 3.126 2.960 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 268 5.811 3.901 -5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 268 4.567 3.976 -2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 268 6.234 4.366 -2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 268 2.771 5.375 -4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 268 6.783 6.613 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 268 2.130 7.705 -4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 268 6.144 8.943 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 268 4.523 10.349 -4.285 1.00 0.00 H new ATOM 202 N ASN A 269 6.925 1.951 -4.031 1.00 0.00 N ATOM 203 CA ASN A 269 7.507 0.659 -3.687 1.00 0.00 C ATOM 204 C ASN A 269 7.676 0.524 -2.176 1.00 0.00 C ATOM 205 O ASN A 269 8.139 1.447 -1.508 1.00 0.00 O ATOM 206 CB ASN A 269 8.860 0.484 -4.380 1.00 0.00 C ATOM 207 CG ASN A 269 8.800 0.820 -5.858 1.00 0.00 C ATOM 208 OD1 ASN A 269 8.045 0.209 -6.615 1.00 0.00 O ATOM 209 ND2 ASN A 269 9.597 1.797 -6.275 1.00 0.00 N ATOM 0 H ASN A 269 7.594 2.721 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 269 6.827 -0.121 -4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 269 9.599 1.122 -3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 269 9.198 -0.545 -4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 269 9.600 2.068 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 269 10.206 2.276 -5.612 1.00 0.00 H new ATOM 216 N GLY A 270 7.298 -0.635 -1.645 1.00 0.00 N ATOM 217 CA GLY A 270 7.416 -0.870 -0.218 1.00 0.00 C ATOM 218 C GLY A 270 7.740 -2.315 0.107 1.00 0.00 C ATOM 219 O GLY A 270 7.726 -3.175 -0.774 1.00 0.00 O ATOM 0 H GLY A 270 6.912 -1.415 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 270 8.195 -0.226 0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 270 6.483 -0.591 0.271 1.00 0.00 H new ATOM 223 N LYS A 271 8.036 -2.583 1.374 1.00 0.00 N ATOM 224 CA LYS A 271 8.367 -3.933 1.814 1.00 0.00 C ATOM 225 C LYS A 271 7.689 -4.253 3.143 1.00 0.00 C ATOM 226 O LYS A 271 7.487 -3.371 3.977 1.00 0.00 O ATOM 227 CB LYS A 271 9.883 -4.090 1.951 1.00 0.00 C ATOM 228 CG LYS A 271 10.304 -5.415 2.561 1.00 0.00 C ATOM 229 CD LYS A 271 11.788 -5.675 2.361 1.00 0.00 C ATOM 230 CE LYS A 271 12.631 -4.863 3.332 1.00 0.00 C ATOM 231 NZ LYS A 271 14.036 -4.716 2.859 1.00 0.00 N ATOM 0 H LYS A 271 8.053 -1.882 2.115 1.00 0.00 H new ATOM 0 HA LYS A 271 8.003 -4.633 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 271 10.341 -3.991 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 271 10.270 -3.277 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 271 10.074 -5.415 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 271 9.728 -6.223 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 271 11.994 -6.737 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 271 12.068 -5.425 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 271 12.186 -3.876 3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 271 12.626 -5.346 4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 14.578 -4.157 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 14.469 -5.656 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 14.044 -4.232 1.938 1.00 0.00 H new ATOM 245 N VAL A 272 7.342 -5.522 3.334 1.00 0.00 N ATOM 246 CA VAL A 272 6.690 -5.959 4.563 1.00 0.00 C ATOM 247 C VAL A 272 7.686 -6.043 5.714 1.00 0.00 C ATOM 248 O VAL A 272 8.661 -6.792 5.653 1.00 0.00 O ATOM 249 CB VAL A 272 6.015 -7.332 4.382 1.00 0.00 C ATOM 250 CG1 VAL A 272 5.661 -7.935 5.733 1.00 0.00 C ATOM 251 CG2 VAL A 272 4.779 -7.206 3.505 1.00 0.00 C ATOM 0 H VAL A 272 7.501 -6.265 2.654 1.00 0.00 H new ATOM 0 HA VAL A 272 5.929 -5.216 4.799 1.00 0.00 H new ATOM 0 HB VAL A 272 6.718 -8.001 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.185 -8.904 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 272 6.568 -8.062 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 272 4.976 -7.271 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.315 -8.185 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 272 4.070 -6.522 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 272 5.065 -6.821 2.526 1.00 0.00 H new ATOM 261 N THR A 273 7.434 -5.267 6.764 1.00 0.00 N ATOM 262 CA THR A 273 8.309 -5.252 7.930 1.00 0.00 C ATOM 263 C THR A 273 7.773 -6.160 9.031 1.00 0.00 C ATOM 264 O THR A 273 8.541 -6.740 9.799 1.00 0.00 O ATOM 265 CB THR A 273 8.474 -3.827 8.490 1.00 0.00 C ATOM 266 OG1 THR A 273 7.195 -3.289 8.844 1.00 0.00 O ATOM 267 CG2 THR A 273 9.148 -2.920 7.472 1.00 0.00 C ATOM 0 H THR A 273 6.631 -4.641 6.831 1.00 0.00 H new ATOM 0 HA THR A 273 9.281 -5.620 7.601 1.00 0.00 H new ATOM 0 HB THR A 273 9.104 -3.880 9.378 1.00 0.00 H new ATOM 0 HG1 THR A 273 7.308 -2.383 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 273 9.254 -1.919 7.890 1.00 0.00 H new ATOM 0 HG22 THR A 273 10.133 -3.317 7.227 1.00 0.00 H new ATOM 0 HG23 THR A 273 8.541 -2.873 6.568 1.00 0.00 H new ATOM 275 N SER A 274 6.451 -6.281 9.101 1.00 0.00 N ATOM 276 CA SER A 274 5.812 -7.116 10.111 1.00 0.00 C ATOM 277 C SER A 274 4.465 -7.633 9.616 1.00 0.00 C ATOM 278 O SER A 274 3.647 -6.870 9.100 1.00 0.00 O ATOM 279 CB SER A 274 5.624 -6.330 11.410 1.00 0.00 C ATOM 280 OG SER A 274 6.749 -6.471 12.259 1.00 0.00 O ATOM 0 H SER A 274 5.802 -5.811 8.470 1.00 0.00 H new ATOM 0 HA SER A 274 6.461 -7.970 10.303 1.00 0.00 H new ATOM 0 HB2 SER A 274 5.467 -5.276 11.181 1.00 0.00 H new ATOM 0 HB3 SER A 274 4.730 -6.681 11.925 1.00 0.00 H new ATOM 0 HG SER A 274 7.554 -6.603 11.716 1.00 0.00 H new ATOM 286 N ILE A 275 4.241 -8.932 9.776 1.00 0.00 N ATOM 287 CA ILE A 275 2.993 -9.551 9.347 1.00 0.00 C ATOM 288 C ILE A 275 2.037 -9.731 10.521 1.00 0.00 C ATOM 289 O ILE A 275 2.408 -10.279 11.558 1.00 0.00 O ATOM 290 CB ILE A 275 3.242 -10.920 8.686 1.00 0.00 C ATOM 291 CG1 ILE A 275 4.066 -10.752 7.408 1.00 0.00 C ATOM 292 CG2 ILE A 275 1.920 -11.610 8.384 1.00 0.00 C ATOM 293 CD1 ILE A 275 5.541 -10.539 7.664 1.00 0.00 C ATOM 0 H ILE A 275 4.908 -9.577 10.200 1.00 0.00 H new ATOM 0 HA ILE A 275 2.543 -8.880 8.615 1.00 0.00 H new ATOM 0 HB ILE A 275 3.806 -11.545 9.379 1.00 0.00 H new ATOM 0 HG12 ILE A 275 3.938 -11.636 6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 275 3.677 -9.904 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 275 2.112 -12.576 7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 275 1.367 -11.759 9.311 1.00 0.00 H new ATOM 0 HG23 ILE A 275 1.332 -10.990 7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 275 6.063 -10.428 6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 275 5.680 -9.638 8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 275 5.945 -11.397 8.201 1.00 0.00 H new ATOM 305 N MET A 276 0.803 -9.268 10.348 1.00 0.00 N ATOM 306 CA MET A 276 -0.208 -9.381 11.393 1.00 0.00 C ATOM 307 C MET A 276 -1.406 -10.189 10.904 1.00 0.00 C ATOM 308 O MET A 276 -1.707 -10.209 9.711 1.00 0.00 O ATOM 309 CB MET A 276 -0.664 -7.992 11.843 1.00 0.00 C ATOM 310 CG MET A 276 0.469 -7.115 12.349 1.00 0.00 C ATOM 311 SD MET A 276 1.531 -6.517 11.019 1.00 0.00 S ATOM 312 CE MET A 276 0.537 -5.177 10.369 1.00 0.00 C ATOM 0 H MET A 276 0.479 -8.812 9.495 1.00 0.00 H new ATOM 0 HA MET A 276 0.237 -9.901 12.241 1.00 0.00 H new ATOM 0 HB2 MET A 276 -1.155 -7.492 11.008 1.00 0.00 H new ATOM 0 HB3 MET A 276 -1.408 -8.101 12.632 1.00 0.00 H new ATOM 0 HG2 MET A 276 0.052 -6.263 12.887 1.00 0.00 H new ATOM 0 HG3 MET A 276 1.069 -7.679 13.062 1.00 0.00 H new ATOM 0 HE1 MET A 276 1.110 -4.628 9.622 1.00 0.00 H new ATOM 0 HE2 MET A 276 -0.364 -5.582 9.909 1.00 0.00 H new ATOM 0 HE3 MET A 276 0.259 -4.504 11.180 1.00 0.00 H new ATOM 322 N GLN A 277 -2.086 -10.853 11.834 1.00 0.00 N ATOM 323 CA GLN A 277 -3.250 -11.663 11.496 1.00 0.00 C ATOM 324 C GLN A 277 -4.272 -10.847 10.712 1.00 0.00 C ATOM 325 O GLN A 277 -5.022 -11.387 9.899 1.00 0.00 O ATOM 326 CB GLN A 277 -3.893 -12.224 12.765 1.00 0.00 C ATOM 327 CG GLN A 277 -2.957 -13.093 13.589 1.00 0.00 C ATOM 328 CD GLN A 277 -3.694 -14.143 14.396 1.00 0.00 C ATOM 329 OE1 GLN A 277 -4.862 -14.435 14.138 1.00 0.00 O ATOM 330 NE2 GLN A 277 -3.014 -14.718 15.381 1.00 0.00 N ATOM 0 H GLN A 277 -1.851 -10.846 12.826 1.00 0.00 H new ATOM 0 HA GLN A 277 -2.916 -12.491 10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 277 -4.243 -11.396 13.381 1.00 0.00 H new ATOM 0 HB3 GLN A 277 -4.770 -12.809 12.489 1.00 0.00 H new ATOM 0 HG2 GLN A 277 -2.245 -13.584 12.926 1.00 0.00 H new ATOM 0 HG3 GLN A 277 -2.380 -12.461 14.264 1.00 0.00 H new ATOM 0 HE21 GLN A 277 -2.047 -14.446 15.560 1.00 0.00 H new ATOM 0 HE22 GLN A 277 -3.458 -15.432 15.958 1.00 0.00 H new ATOM 339 N PHE A 278 -4.297 -9.542 10.962 1.00 0.00 N ATOM 340 CA PHE A 278 -5.228 -8.650 10.281 1.00 0.00 C ATOM 341 C PHE A 278 -4.640 -8.153 8.963 1.00 0.00 C ATOM 342 O PHE A 278 -5.246 -8.307 7.903 1.00 0.00 O ATOM 343 CB PHE A 278 -5.577 -7.460 11.177 1.00 0.00 C ATOM 344 CG PHE A 278 -4.432 -6.997 12.031 1.00 0.00 C ATOM 345 CD1 PHE A 278 -4.223 -7.541 13.289 1.00 0.00 C ATOM 346 CD2 PHE A 278 -3.563 -6.018 11.577 1.00 0.00 C ATOM 347 CE1 PHE A 278 -3.170 -7.117 14.077 1.00 0.00 C ATOM 348 CE2 PHE A 278 -2.508 -5.590 12.360 1.00 0.00 C ATOM 349 CZ PHE A 278 -2.312 -6.140 13.612 1.00 0.00 C ATOM 0 H PHE A 278 -3.683 -9.079 11.632 1.00 0.00 H new ATOM 0 HA PHE A 278 -6.137 -9.212 10.065 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -5.913 -6.632 10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -6.413 -7.733 11.821 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -4.891 -8.305 13.658 1.00 0.00 H new ATOM 0 HD2 PHE A 278 -3.712 -5.584 10.599 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -3.018 -7.549 15.055 1.00 0.00 H new ATOM 0 HE2 PHE A 278 -1.838 -4.827 11.994 1.00 0.00 H new ATOM 0 HZ PHE A 278 -1.489 -5.806 14.226 1.00 0.00 H new ATOM 359 N GLY A 279 -3.455 -7.556 9.039 1.00 0.00 N ATOM 360 CA GLY A 279 -2.804 -7.045 7.846 1.00 0.00 C ATOM 361 C GLY A 279 -1.294 -7.149 7.920 1.00 0.00 C ATOM 362 O GLY A 279 -0.753 -7.816 8.803 1.00 0.00 O ATOM 0 H GLY A 279 -2.934 -7.417 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 279 -3.161 -7.597 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 279 -3.087 -6.002 7.700 1.00 0.00 H new ATOM 366 N CYS A 280 -0.611 -6.490 6.990 1.00 0.00 N ATOM 367 CA CYS A 280 0.847 -6.513 6.952 1.00 0.00 C ATOM 368 C CYS A 280 1.410 -5.100 6.846 1.00 0.00 C ATOM 369 O CYS A 280 0.959 -4.300 6.026 1.00 0.00 O ATOM 370 CB CYS A 280 1.334 -7.359 5.775 1.00 0.00 C ATOM 371 SG CYS A 280 0.937 -6.665 4.153 1.00 0.00 S ATOM 0 H CYS A 280 -1.043 -5.933 6.253 1.00 0.00 H new ATOM 0 HA CYS A 280 1.203 -6.958 7.881 1.00 0.00 H new ATOM 0 HB2 CYS A 280 2.414 -7.481 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 280 0.895 -8.354 5.850 1.00 0.00 H new ATOM 0 HG CYS A 280 0.819 -5.374 4.250 1.00 0.00 H new ATOM 377 N PHE A 281 2.398 -4.798 7.682 1.00 0.00 N ATOM 378 CA PHE A 281 3.022 -3.480 7.685 1.00 0.00 C ATOM 379 C PHE A 281 4.007 -3.343 6.528 1.00 0.00 C ATOM 380 O PHE A 281 4.980 -4.092 6.433 1.00 0.00 O ATOM 381 CB PHE A 281 3.741 -3.235 9.013 1.00 0.00 C ATOM 382 CG PHE A 281 2.812 -2.892 10.142 1.00 0.00 C ATOM 383 CD1 PHE A 281 1.825 -1.933 9.979 1.00 0.00 C ATOM 384 CD2 PHE A 281 2.926 -3.528 11.368 1.00 0.00 C ATOM 385 CE1 PHE A 281 0.969 -1.615 11.016 1.00 0.00 C ATOM 386 CE2 PHE A 281 2.072 -3.214 12.409 1.00 0.00 C ATOM 387 CZ PHE A 281 1.093 -2.256 12.233 1.00 0.00 C ATOM 0 H PHE A 281 2.784 -5.449 8.366 1.00 0.00 H new ATOM 0 HA PHE A 281 2.237 -2.734 7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 281 4.310 -4.126 9.279 1.00 0.00 H new ATOM 0 HB3 PHE A 281 4.459 -2.425 8.885 1.00 0.00 H new ATOM 0 HD1 PHE A 281 1.724 -1.428 9.030 1.00 0.00 H new ATOM 0 HD2 PHE A 281 3.690 -4.277 11.512 1.00 0.00 H new ATOM 0 HE1 PHE A 281 0.204 -0.866 10.875 1.00 0.00 H new ATOM 0 HE2 PHE A 281 2.170 -3.718 13.359 1.00 0.00 H new ATOM 0 HZ PHE A 281 0.426 -2.009 13.045 1.00 0.00 H new ATOM 397 N VAL A 282 3.748 -2.380 5.649 1.00 0.00 N ATOM 398 CA VAL A 282 4.611 -2.143 4.498 1.00 0.00 C ATOM 399 C VAL A 282 5.263 -0.767 4.574 1.00 0.00 C ATOM 400 O VAL A 282 4.577 0.254 4.624 1.00 0.00 O ATOM 401 CB VAL A 282 3.828 -2.255 3.176 1.00 0.00 C ATOM 402 CG1 VAL A 282 4.683 -1.789 2.007 1.00 0.00 C ATOM 403 CG2 VAL A 282 3.349 -3.683 2.961 1.00 0.00 C ATOM 0 H VAL A 282 2.947 -1.751 5.712 1.00 0.00 H new ATOM 0 HA VAL A 282 5.385 -2.911 4.520 1.00 0.00 H new ATOM 0 HB VAL A 282 2.953 -1.607 3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 282 4.113 -1.876 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 282 4.972 -0.749 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 282 5.578 -2.408 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 282 2.798 -3.744 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 282 4.208 -4.353 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 282 2.698 -3.976 3.784 1.00 0.00 H new ATOM 413 N GLN A 283 6.592 -0.747 4.582 1.00 0.00 N ATOM 414 CA GLN A 283 7.337 0.505 4.652 1.00 0.00 C ATOM 415 C GLN A 283 7.656 1.027 3.255 1.00 0.00 C ATOM 416 O GLN A 283 8.203 0.305 2.420 1.00 0.00 O ATOM 417 CB GLN A 283 8.630 0.309 5.444 1.00 0.00 C ATOM 418 CG GLN A 283 9.321 1.612 5.813 1.00 0.00 C ATOM 419 CD GLN A 283 10.709 1.396 6.383 1.00 0.00 C ATOM 420 OE1 GLN A 283 10.863 0.936 7.514 1.00 0.00 O ATOM 421 NE2 GLN A 283 11.728 1.729 5.600 1.00 0.00 N ATOM 0 H GLN A 283 7.175 -1.583 4.541 1.00 0.00 H new ATOM 0 HA GLN A 283 6.715 1.241 5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 283 8.407 -0.245 6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 283 9.316 -0.303 4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 283 9.390 2.245 4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 283 8.713 2.148 6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 283 11.553 2.107 4.669 1.00 0.00 H new ATOM 0 HE22 GLN A 283 12.686 1.607 5.929 1.00 0.00 H new ATOM 430 N LEU A 284 7.311 2.286 3.007 1.00 0.00 N ATOM 431 CA LEU A 284 7.561 2.906 1.710 1.00 0.00 C ATOM 432 C LEU A 284 9.048 3.180 1.515 1.00 0.00 C ATOM 433 O LEU A 284 9.792 3.334 2.483 1.00 0.00 O ATOM 434 CB LEU A 284 6.769 4.209 1.585 1.00 0.00 C ATOM 435 CG LEU A 284 5.246 4.074 1.600 1.00 0.00 C ATOM 436 CD1 LEU A 284 4.589 5.444 1.639 1.00 0.00 C ATOM 437 CD2 LEU A 284 4.769 3.285 0.388 1.00 0.00 C ATOM 0 H LEU A 284 6.858 2.897 3.686 1.00 0.00 H new ATOM 0 HA LEU A 284 7.234 2.213 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 284 7.063 4.869 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 284 7.061 4.700 0.657 1.00 0.00 H new ATOM 0 HG LEU A 284 4.957 3.530 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 284 3.505 5.328 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 284 4.906 5.974 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 284 4.884 6.014 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 284 3.683 3.198 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 284 5.070 3.801 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 284 5.213 2.290 0.404 1.00 0.00 H new ATOM 449 N GLU A 285 9.474 3.242 0.257 1.00 0.00 N ATOM 450 CA GLU A 285 10.872 3.499 -0.064 1.00 0.00 C ATOM 451 C GLU A 285 10.998 4.631 -1.080 1.00 0.00 C ATOM 452 O GLU A 285 10.125 4.820 -1.926 1.00 0.00 O ATOM 453 CB GLU A 285 11.535 2.233 -0.610 1.00 0.00 C ATOM 454 CG GLU A 285 11.612 1.102 0.402 1.00 0.00 C ATOM 455 CD GLU A 285 12.764 0.154 0.130 1.00 0.00 C ATOM 456 OE1 GLU A 285 13.929 0.591 0.235 1.00 0.00 O ATOM 457 OE2 GLU A 285 12.500 -1.025 -0.187 1.00 0.00 O ATOM 0 H GLU A 285 8.871 3.118 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 285 11.379 3.799 0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 285 10.981 1.890 -1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 285 12.542 2.477 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 285 11.720 1.521 1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 285 10.676 0.544 0.389 1.00 0.00 H new ATOM 464 N GLY A 286 12.092 5.381 -0.990 1.00 0.00 N ATOM 465 CA GLY A 286 12.313 6.485 -1.906 1.00 0.00 C ATOM 466 C GLY A 286 12.080 7.834 -1.255 1.00 0.00 C ATOM 467 O GLY A 286 12.838 8.779 -1.479 1.00 0.00 O ATOM 0 H GLY A 286 12.829 5.244 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 286 13.334 6.440 -2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 286 11.649 6.380 -2.764 1.00 0.00 H new ATOM 471 N LEU A 287 11.028 7.926 -0.449 1.00 0.00 N ATOM 472 CA LEU A 287 10.695 9.171 0.235 1.00 0.00 C ATOM 473 C LEU A 287 11.697 9.465 1.347 1.00 0.00 C ATOM 474 O LEU A 287 12.381 8.565 1.835 1.00 0.00 O ATOM 475 CB LEU A 287 9.281 9.096 0.814 1.00 0.00 C ATOM 476 CG LEU A 287 8.146 8.970 -0.202 1.00 0.00 C ATOM 477 CD1 LEU A 287 6.851 8.573 0.490 1.00 0.00 C ATOM 478 CD2 LEU A 287 7.966 10.275 -0.965 1.00 0.00 C ATOM 0 H LEU A 287 10.391 7.154 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 287 10.740 9.981 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 287 9.232 8.243 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 287 9.108 9.990 1.414 1.00 0.00 H new ATOM 0 HG LEU A 287 8.408 8.188 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 287 6.055 8.488 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 287 6.985 7.614 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 287 6.584 9.332 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 287 7.154 10.167 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 287 7.727 11.076 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 287 8.888 10.518 -1.493 1.00 0.00 H new ATOM 490 N ARG A 288 11.778 10.731 1.744 1.00 0.00 N ATOM 491 CA ARG A 288 12.695 11.144 2.799 1.00 0.00 C ATOM 492 C ARG A 288 12.150 10.765 4.173 1.00 0.00 C ATOM 493 O ARG A 288 12.836 10.126 4.971 1.00 0.00 O ATOM 494 CB ARG A 288 12.937 12.653 2.732 1.00 0.00 C ATOM 495 CG ARG A 288 13.537 13.117 1.415 1.00 0.00 C ATOM 496 CD ARG A 288 14.381 14.369 1.598 1.00 0.00 C ATOM 497 NE ARG A 288 13.609 15.472 2.162 1.00 0.00 N ATOM 498 CZ ARG A 288 14.064 16.716 2.255 1.00 0.00 C ATOM 499 NH1 ARG A 288 15.282 17.014 1.822 1.00 0.00 N ATOM 500 NH2 ARG A 288 13.302 17.666 2.782 1.00 0.00 N ATOM 0 H ARG A 288 11.219 11.488 1.351 1.00 0.00 H new ATOM 0 HA ARG A 288 13.641 10.624 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 288 11.992 13.171 2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 288 13.602 12.942 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 288 14.151 12.321 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 288 12.739 13.316 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 288 15.224 14.145 2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 288 14.795 14.671 0.636 1.00 0.00 H new ATOM 0 HE ARG A 288 12.668 15.276 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 288 15.871 16.287 1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 288 15.629 17.970 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 288 12.365 17.441 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 288 13.653 18.621 2.853 1.00 0.00 H new ATOM 514 N LYS A 289 10.912 11.164 4.443 1.00 0.00 N ATOM 515 CA LYS A 289 10.273 10.867 5.719 1.00 0.00 C ATOM 516 C LYS A 289 9.806 9.416 5.769 1.00 0.00 C ATOM 517 O LYS A 289 8.900 9.020 5.036 1.00 0.00 O ATOM 518 CB LYS A 289 9.084 11.804 5.948 1.00 0.00 C ATOM 519 CG LYS A 289 8.651 11.892 7.401 1.00 0.00 C ATOM 520 CD LYS A 289 7.575 12.946 7.599 1.00 0.00 C ATOM 521 CE LYS A 289 8.174 14.339 7.724 1.00 0.00 C ATOM 522 NZ LYS A 289 8.580 14.644 9.123 1.00 0.00 N ATOM 0 H LYS A 289 10.331 11.695 3.794 1.00 0.00 H new ATOM 0 HA LYS A 289 11.008 11.022 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 289 9.345 12.801 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 289 8.242 11.462 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 289 8.277 10.922 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 289 9.513 12.129 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 289 6.881 12.921 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 289 6.999 12.715 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 289 9.041 14.422 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 289 7.447 15.078 7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 289 8.983 15.602 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 289 7.749 14.590 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 289 9.292 13.954 9.436 1.00 0.00 H new ATOM 536 N ARG A 290 10.430 8.628 6.638 1.00 0.00 N ATOM 537 CA ARG A 290 10.078 7.220 6.784 1.00 0.00 C ATOM 538 C ARG A 290 8.578 7.056 7.008 1.00 0.00 C ATOM 539 O ARG A 290 8.036 7.518 8.013 1.00 0.00 O ATOM 540 CB ARG A 290 10.850 6.597 7.948 1.00 0.00 C ATOM 541 CG ARG A 290 10.574 5.114 8.138 1.00 0.00 C ATOM 542 CD ARG A 290 9.285 4.883 8.910 1.00 0.00 C ATOM 543 NE ARG A 290 9.223 3.541 9.482 1.00 0.00 N ATOM 544 CZ ARG A 290 9.889 3.175 10.572 1.00 0.00 C ATOM 545 NH1 ARG A 290 10.662 4.047 11.204 1.00 0.00 N ATOM 546 NH2 ARG A 290 9.781 1.935 11.032 1.00 0.00 N ATOM 0 H ARG A 290 11.182 8.940 7.252 1.00 0.00 H new ATOM 0 HA ARG A 290 10.349 6.706 5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 290 11.918 6.741 7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 290 10.595 7.126 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 290 10.509 4.627 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 290 11.406 4.653 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 290 9.203 5.621 9.708 1.00 0.00 H new ATOM 0 HD3 ARG A 290 8.433 5.034 8.247 1.00 0.00 H new ATOM 0 HE ARG A 290 8.636 2.846 9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 290 10.746 5.001 10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 290 11.172 3.764 12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 290 9.186 1.262 10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 290 10.293 1.655 11.869 1.00 0.00 H new ATOM 560 N TRP A 291 7.913 6.395 6.067 1.00 0.00 N ATOM 561 CA TRP A 291 6.475 6.170 6.163 1.00 0.00 C ATOM 562 C TRP A 291 6.164 4.683 6.288 1.00 0.00 C ATOM 563 O TRP A 291 6.854 3.845 5.709 1.00 0.00 O ATOM 564 CB TRP A 291 5.765 6.750 4.939 1.00 0.00 C ATOM 565 CG TRP A 291 5.577 8.236 5.010 1.00 0.00 C ATOM 566 CD1 TRP A 291 5.950 9.155 4.072 1.00 0.00 C ATOM 567 CD2 TRP A 291 4.971 8.972 6.078 1.00 0.00 C ATOM 568 NE1 TRP A 291 5.612 10.419 4.492 1.00 0.00 N ATOM 569 CE2 TRP A 291 5.010 10.334 5.719 1.00 0.00 C ATOM 570 CE3 TRP A 291 4.398 8.614 7.301 1.00 0.00 C ATOM 571 CZ2 TRP A 291 4.498 11.335 6.541 1.00 0.00 C ATOM 572 CZ3 TRP A 291 3.891 9.609 8.116 1.00 0.00 C ATOM 573 CH2 TRP A 291 3.943 10.956 7.733 1.00 0.00 C ATOM 0 H TRP A 291 8.346 6.006 5.230 1.00 0.00 H new ATOM 0 HA TRP A 291 6.112 6.675 7.058 1.00 0.00 H new ATOM 0 HB2 TRP A 291 6.339 6.506 4.045 1.00 0.00 H new ATOM 0 HB3 TRP A 291 4.791 6.272 4.833 1.00 0.00 H new ATOM 0 HD1 TRP A 291 6.439 8.923 3.137 1.00 0.00 H new ATOM 0 HE1 TRP A 291 5.782 11.281 3.974 1.00 0.00 H new ATOM 0 HE3 TRP A 291 4.352 7.578 7.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 291 4.538 12.374 6.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 291 3.447 9.344 9.064 1.00 0.00 H new ATOM 0 HH2 TRP A 291 3.537 11.710 8.391 1.00 0.00 H new ATOM 584 N GLU A 292 5.121 4.362 7.048 1.00 0.00 N ATOM 585 CA GLU A 292 4.721 2.975 7.249 1.00 0.00 C ATOM 586 C GLU A 292 3.200 2.846 7.276 1.00 0.00 C ATOM 587 O GLU A 292 2.533 3.426 8.132 1.00 0.00 O ATOM 588 CB GLU A 292 5.313 2.433 8.552 1.00 0.00 C ATOM 589 CG GLU A 292 4.936 0.989 8.838 1.00 0.00 C ATOM 590 CD GLU A 292 5.243 0.578 10.265 1.00 0.00 C ATOM 591 OE1 GLU A 292 5.352 1.472 11.130 1.00 0.00 O ATOM 592 OE2 GLU A 292 5.374 -0.638 10.516 1.00 0.00 O ATOM 0 H GLU A 292 4.539 5.044 7.534 1.00 0.00 H new ATOM 0 HA GLU A 292 5.104 2.389 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 292 6.399 2.514 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 292 4.979 3.058 9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 292 3.872 0.850 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 292 5.473 0.334 8.152 1.00 0.00 H new ATOM 599 N GLY A 293 2.660 2.081 6.333 1.00 0.00 N ATOM 600 CA GLY A 293 1.223 1.889 6.266 1.00 0.00 C ATOM 601 C GLY A 293 0.810 0.472 6.608 1.00 0.00 C ATOM 602 O GLY A 293 1.653 -0.421 6.711 1.00 0.00 O ATOM 0 H GLY A 293 3.192 1.591 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 293 0.735 2.582 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 293 0.873 2.134 5.263 1.00 0.00 H new ATOM 606 N LEU A 294 -0.490 0.262 6.786 1.00 0.00 N ATOM 607 CA LEU A 294 -1.013 -1.057 7.121 1.00 0.00 C ATOM 608 C LEU A 294 -1.958 -1.560 6.034 1.00 0.00 C ATOM 609 O LEU A 294 -2.882 -0.857 5.626 1.00 0.00 O ATOM 610 CB LEU A 294 -1.742 -1.013 8.465 1.00 0.00 C ATOM 611 CG LEU A 294 -2.564 -2.251 8.824 1.00 0.00 C ATOM 612 CD1 LEU A 294 -1.650 -3.417 9.170 1.00 0.00 C ATOM 613 CD2 LEU A 294 -3.506 -1.949 9.980 1.00 0.00 C ATOM 0 H LEU A 294 -1.201 0.989 6.704 1.00 0.00 H new ATOM 0 HA LEU A 294 -0.172 -1.746 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 294 -1.004 -0.851 9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 294 -2.405 -0.148 8.468 1.00 0.00 H new ATOM 0 HG LEU A 294 -3.163 -2.530 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 294 -2.253 -4.289 9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 294 -1.017 -3.649 8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 294 -1.025 -3.149 10.022 1.00 0.00 H new ATOM 0 HD21 LEU A 294 -4.083 -2.842 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 294 -2.927 -1.644 10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 294 -4.184 -1.144 9.696 1.00 0.00 H new ATOM 625 N VAL A 295 -1.720 -2.783 5.570 1.00 0.00 N ATOM 626 CA VAL A 295 -2.552 -3.382 4.532 1.00 0.00 C ATOM 627 C VAL A 295 -3.519 -4.401 5.123 1.00 0.00 C ATOM 628 O VAL A 295 -3.111 -5.475 5.567 1.00 0.00 O ATOM 629 CB VAL A 295 -1.694 -4.069 3.453 1.00 0.00 C ATOM 630 CG1 VAL A 295 -2.573 -4.600 2.331 1.00 0.00 C ATOM 631 CG2 VAL A 295 -0.648 -3.107 2.912 1.00 0.00 C ATOM 0 H VAL A 295 -0.959 -3.378 5.896 1.00 0.00 H new ATOM 0 HA VAL A 295 -3.119 -2.572 4.073 1.00 0.00 H new ATOM 0 HB VAL A 295 -1.176 -4.914 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 295 -1.950 -5.082 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 295 -3.280 -5.325 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 295 -3.120 -3.774 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 295 -0.051 -3.609 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 295 -1.143 -2.241 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 295 0.001 -2.780 3.725 1.00 0.00 H new ATOM 641 N HIS A 296 -4.803 -4.058 5.126 1.00 0.00 N ATOM 642 CA HIS A 296 -5.830 -4.945 5.662 1.00 0.00 C ATOM 643 C HIS A 296 -5.853 -6.269 4.905 1.00 0.00 C ATOM 644 O HIS A 296 -5.327 -6.371 3.796 1.00 0.00 O ATOM 645 CB HIS A 296 -7.202 -4.276 5.585 1.00 0.00 C ATOM 646 CG HIS A 296 -8.239 -4.936 6.441 1.00 0.00 C ATOM 647 ND1 HIS A 296 -9.210 -5.774 5.934 1.00 0.00 N ATOM 648 CD2 HIS A 296 -8.453 -4.879 7.776 1.00 0.00 C ATOM 649 CE1 HIS A 296 -9.977 -6.203 6.921 1.00 0.00 C ATOM 650 NE2 HIS A 296 -9.539 -5.675 8.049 1.00 0.00 N ATOM 0 H HIS A 296 -5.157 -3.173 4.764 1.00 0.00 H new ATOM 0 HA HIS A 296 -5.591 -5.148 6.706 1.00 0.00 H new ATOM 0 HB2 HIS A 296 -7.106 -3.232 5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 296 -7.541 -4.280 4.549 1.00 0.00 H new ATOM 0 HD2 HIS A 296 -7.877 -4.313 8.493 1.00 0.00 H new ATOM 0 HE1 HIS A 296 -10.819 -6.872 6.822 1.00 0.00 H new ATOM 0 HE2 HIS A 296 -9.941 -5.832 8.973 1.00 0.00 H new ATOM 658 N ILE A 297 -6.466 -7.281 5.510 1.00 0.00 N ATOM 659 CA ILE A 297 -6.558 -8.598 4.893 1.00 0.00 C ATOM 660 C ILE A 297 -7.299 -8.530 3.562 1.00 0.00 C ATOM 661 O ILE A 297 -6.983 -9.263 2.625 1.00 0.00 O ATOM 662 CB ILE A 297 -7.272 -9.604 5.815 1.00 0.00 C ATOM 663 CG1 ILE A 297 -7.288 -10.993 5.175 1.00 0.00 C ATOM 664 CG2 ILE A 297 -8.689 -9.135 6.113 1.00 0.00 C ATOM 665 CD1 ILE A 297 -6.087 -11.838 5.534 1.00 0.00 C ATOM 0 H ILE A 297 -6.907 -7.214 6.427 1.00 0.00 H new ATOM 0 HA ILE A 297 -5.537 -8.938 4.721 1.00 0.00 H new ATOM 0 HB ILE A 297 -6.725 -9.665 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -8.194 -11.515 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -7.335 -10.884 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -9.181 -9.856 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -8.655 -8.164 6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -9.247 -9.049 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -6.166 -12.809 5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -5.177 -11.337 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -6.050 -11.978 6.614 1.00 0.00 H new ATOM 677 N SER A 298 -8.287 -7.644 3.485 1.00 0.00 N ATOM 678 CA SER A 298 -9.075 -7.481 2.269 1.00 0.00 C ATOM 679 C SER A 298 -8.221 -6.912 1.140 1.00 0.00 C ATOM 680 O SER A 298 -8.466 -7.183 -0.035 1.00 0.00 O ATOM 681 CB SER A 298 -10.272 -6.565 2.531 1.00 0.00 C ATOM 682 OG SER A 298 -10.934 -6.233 1.322 1.00 0.00 O ATOM 0 H SER A 298 -8.561 -7.028 4.251 1.00 0.00 H new ATOM 0 HA SER A 298 -9.438 -8.463 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 298 -10.970 -7.058 3.208 1.00 0.00 H new ATOM 0 HB3 SER A 298 -9.936 -5.655 3.027 1.00 0.00 H new ATOM 0 HG SER A 298 -11.696 -5.648 1.516 1.00 0.00 H new ATOM 688 N GLU A 299 -7.218 -6.121 1.507 1.00 0.00 N ATOM 689 CA GLU A 299 -6.328 -5.512 0.525 1.00 0.00 C ATOM 690 C GLU A 299 -5.163 -6.441 0.196 1.00 0.00 C ATOM 691 O GLU A 299 -4.020 -6.001 0.065 1.00 0.00 O ATOM 692 CB GLU A 299 -5.796 -4.175 1.046 1.00 0.00 C ATOM 693 CG GLU A 299 -6.841 -3.072 1.068 1.00 0.00 C ATOM 694 CD GLU A 299 -6.958 -2.352 -0.262 1.00 0.00 C ATOM 695 OE1 GLU A 299 -6.850 -3.023 -1.310 1.00 0.00 O ATOM 696 OE2 GLU A 299 -7.158 -1.120 -0.255 1.00 0.00 O ATOM 0 H GLU A 299 -7.001 -5.887 2.476 1.00 0.00 H new ATOM 0 HA GLU A 299 -6.900 -5.338 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 299 -5.407 -4.316 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 299 -4.959 -3.859 0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 299 -7.809 -3.499 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 299 -6.587 -2.352 1.846 1.00 0.00 H new ATOM 703 N LEU A 300 -5.461 -7.729 0.065 1.00 0.00 N ATOM 704 CA LEU A 300 -4.440 -8.723 -0.248 1.00 0.00 C ATOM 705 C LEU A 300 -4.921 -9.672 -1.341 1.00 0.00 C ATOM 706 O LEU A 300 -4.370 -9.697 -2.442 1.00 0.00 O ATOM 707 CB LEU A 300 -4.071 -9.516 1.006 1.00 0.00 C ATOM 708 CG LEU A 300 -3.600 -8.694 2.207 1.00 0.00 C ATOM 709 CD1 LEU A 300 -3.336 -9.596 3.402 1.00 0.00 C ATOM 710 CD2 LEU A 300 -2.354 -7.897 1.851 1.00 0.00 C ATOM 0 H LEU A 300 -6.401 -8.110 0.171 1.00 0.00 H new ATOM 0 HA LEU A 300 -3.556 -8.198 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 300 -4.939 -10.101 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 300 -3.285 -10.224 0.745 1.00 0.00 H new ATOM 0 HG LEU A 300 -4.391 -7.993 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 300 -3.002 -8.993 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 300 -4.253 -10.121 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 300 -2.564 -10.322 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 300 -2.033 -7.318 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 300 -1.558 -8.580 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 300 -2.578 -7.221 1.026 1.00 0.00 H new ATOM 856 N VAL A 309 -2.657 -13.557 6.540 1.00 0.00 N ATOM 857 CA VAL A 309 -1.623 -12.793 5.852 1.00 0.00 C ATOM 858 C VAL A 309 -0.295 -13.543 5.850 1.00 0.00 C ATOM 859 O VAL A 309 0.415 -13.566 4.846 1.00 0.00 O ATOM 860 CB VAL A 309 -1.419 -11.412 6.502 1.00 0.00 C ATOM 861 CG1 VAL A 309 -0.410 -10.593 5.711 1.00 0.00 C ATOM 862 CG2 VAL A 309 -2.745 -10.675 6.614 1.00 0.00 C ATOM 0 HA VAL A 309 -1.961 -12.656 4.825 1.00 0.00 H new ATOM 0 HB VAL A 309 -1.024 -11.558 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -0.279 -9.620 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 309 0.545 -11.117 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -0.773 -10.454 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -2.582 -9.701 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -3.171 -10.539 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -3.434 -11.256 7.227 1.00 0.00 H new ATOM 872 N ALA A 310 0.033 -14.156 6.983 1.00 0.00 N ATOM 873 CA ALA A 310 1.274 -14.910 7.111 1.00 0.00 C ATOM 874 C ALA A 310 1.641 -15.592 5.798 1.00 0.00 C ATOM 875 O ALA A 310 2.704 -15.339 5.232 1.00 0.00 O ATOM 876 CB ALA A 310 1.154 -15.938 8.227 1.00 0.00 C ATOM 0 H ALA A 310 -0.543 -14.145 7.825 1.00 0.00 H new ATOM 0 HA ALA A 310 2.071 -14.210 7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 310 2.088 -16.494 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 310 0.948 -15.430 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 310 0.341 -16.627 8.001 1.00 0.00 H new ATOM 882 N ASP A 311 0.755 -16.458 5.319 1.00 0.00 N ATOM 883 CA ASP A 311 0.985 -17.177 4.071 1.00 0.00 C ATOM 884 C ASP A 311 0.942 -16.225 2.880 1.00 0.00 C ATOM 885 O ASP A 311 1.608 -16.449 1.869 1.00 0.00 O ATOM 886 CB ASP A 311 -0.057 -18.283 3.895 1.00 0.00 C ATOM 887 CG ASP A 311 0.266 -19.518 4.712 1.00 0.00 C ATOM 888 OD1 ASP A 311 1.352 -20.099 4.506 1.00 0.00 O ATOM 889 OD2 ASP A 311 -0.568 -19.904 5.558 1.00 0.00 O ATOM 0 H ASP A 311 -0.130 -16.679 5.776 1.00 0.00 H new ATOM 0 HA ASP A 311 1.976 -17.628 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 311 -1.037 -17.905 4.186 1.00 0.00 H new ATOM 0 HB3 ASP A 311 -0.120 -18.554 2.841 1.00 0.00 H new ATOM 894 N VAL A 312 0.153 -15.163 3.006 1.00 0.00 N ATOM 895 CA VAL A 312 0.023 -14.177 1.940 1.00 0.00 C ATOM 896 C VAL A 312 1.354 -13.486 1.665 1.00 0.00 C ATOM 897 O VAL A 312 1.867 -13.526 0.546 1.00 0.00 O ATOM 898 CB VAL A 312 -1.034 -13.111 2.287 1.00 0.00 C ATOM 899 CG1 VAL A 312 -1.109 -12.058 1.192 1.00 0.00 C ATOM 900 CG2 VAL A 312 -2.391 -13.761 2.508 1.00 0.00 C ATOM 0 H VAL A 312 -0.406 -14.963 3.836 1.00 0.00 H new ATOM 0 HA VAL A 312 -0.295 -14.716 1.047 1.00 0.00 H new ATOM 0 HB VAL A 312 -0.738 -12.617 3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 312 -1.861 -11.313 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 312 -0.139 -11.573 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 312 -1.382 -12.532 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 312 -3.126 -12.994 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 312 -2.697 -14.282 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 312 -2.323 -14.474 3.330 1.00 0.00 H new ATOM 910 N VAL A 313 1.910 -12.853 2.693 1.00 0.00 N ATOM 911 CA VAL A 313 3.183 -12.154 2.563 1.00 0.00 C ATOM 912 C VAL A 313 4.163 -12.591 3.646 1.00 0.00 C ATOM 913 O VAL A 313 3.759 -12.979 4.742 1.00 0.00 O ATOM 914 CB VAL A 313 2.995 -10.627 2.642 1.00 0.00 C ATOM 915 CG1 VAL A 313 2.132 -10.135 1.490 1.00 0.00 C ATOM 916 CG2 VAL A 313 2.388 -10.233 3.980 1.00 0.00 C ATOM 0 H VAL A 313 1.499 -12.810 3.625 1.00 0.00 H new ATOM 0 HA VAL A 313 3.588 -12.413 1.585 1.00 0.00 H new ATOM 0 HB VAL A 313 3.973 -10.153 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 313 2.010 -9.054 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 313 2.612 -10.383 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 313 1.154 -10.614 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 313 2.262 -9.151 4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 313 1.417 -10.715 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 313 3.049 -10.550 4.787 1.00 0.00 H new ATOM 926 N SER A 314 5.452 -12.525 3.331 1.00 0.00 N ATOM 927 CA SER A 314 6.491 -12.917 4.276 1.00 0.00 C ATOM 928 C SER A 314 7.165 -11.690 4.882 1.00 0.00 C ATOM 929 O SER A 314 6.868 -10.555 4.508 1.00 0.00 O ATOM 930 CB SER A 314 7.534 -13.796 3.584 1.00 0.00 C ATOM 931 OG SER A 314 8.045 -13.164 2.423 1.00 0.00 O ATOM 0 H SER A 314 5.802 -12.204 2.429 1.00 0.00 H new ATOM 0 HA SER A 314 6.022 -13.486 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 314 8.350 -14.009 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 314 7.086 -14.752 3.314 1.00 0.00 H new ATOM 0 HG SER A 314 7.361 -13.168 1.721 1.00 0.00 H new ATOM 937 N LYS A 315 8.075 -11.926 5.821 1.00 0.00 N ATOM 938 CA LYS A 315 8.794 -10.842 6.480 1.00 0.00 C ATOM 939 C LYS A 315 9.948 -10.348 5.613 1.00 0.00 C ATOM 940 O LYS A 315 10.745 -11.140 5.113 1.00 0.00 O ATOM 941 CB LYS A 315 9.326 -11.307 7.838 1.00 0.00 C ATOM 942 CG LYS A 315 10.267 -10.313 8.495 1.00 0.00 C ATOM 943 CD LYS A 315 10.918 -10.898 9.738 1.00 0.00 C ATOM 944 CE LYS A 315 12.067 -11.827 9.380 1.00 0.00 C ATOM 945 NZ LYS A 315 12.702 -12.417 10.591 1.00 0.00 N ATOM 0 H LYS A 315 8.332 -12.859 6.143 1.00 0.00 H new ATOM 0 HA LYS A 315 8.098 -10.017 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 315 8.484 -11.492 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 315 9.846 -12.256 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 315 11.039 -10.017 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 315 9.716 -9.411 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 315 11.285 -10.091 10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 315 10.174 -11.445 10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 315 11.700 -12.627 8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 315 12.815 -11.276 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 315 13.481 -13.044 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 315 13.075 -11.656 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 315 11.995 -12.964 11.122 1.00 0.00 H new ATOM 959 N GLY A 316 10.030 -9.032 5.439 1.00 0.00 N ATOM 960 CA GLY A 316 11.090 -8.455 4.633 1.00 0.00 C ATOM 961 C GLY A 316 10.961 -8.812 3.165 1.00 0.00 C ATOM 962 O GLY A 316 11.963 -8.964 2.468 1.00 0.00 O ATOM 0 H GLY A 316 9.381 -8.356 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 316 11.077 -7.371 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 316 12.054 -8.801 5.005 1.00 0.00 H new ATOM 966 N GLN A 317 9.725 -8.947 2.697 1.00 0.00 N ATOM 967 CA GLN A 317 9.470 -9.290 1.303 1.00 0.00 C ATOM 968 C GLN A 317 9.088 -8.052 0.498 1.00 0.00 C ATOM 969 O GLN A 317 8.206 -7.290 0.895 1.00 0.00 O ATOM 970 CB GLN A 317 8.358 -10.337 1.209 1.00 0.00 C ATOM 971 CG GLN A 317 7.701 -10.405 -0.160 1.00 0.00 C ATOM 972 CD GLN A 317 6.496 -11.325 -0.184 1.00 0.00 C ATOM 973 OE1 GLN A 317 6.635 -12.548 -0.186 1.00 0.00 O ATOM 974 NE2 GLN A 317 5.304 -10.739 -0.203 1.00 0.00 N ATOM 0 H GLN A 317 8.885 -8.824 3.262 1.00 0.00 H new ATOM 0 HA GLN A 317 10.387 -9.704 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 317 8.770 -11.316 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 317 7.597 -10.115 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 317 7.395 -9.403 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 317 8.431 -10.749 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 317 5.236 -9.721 -0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 317 4.457 -11.307 -0.220 1.00 0.00 H new ATOM 983 N ARG A 318 9.759 -7.858 -0.633 1.00 0.00 N ATOM 984 CA ARG A 318 9.491 -6.711 -1.492 1.00 0.00 C ATOM 985 C ARG A 318 8.105 -6.816 -2.122 1.00 0.00 C ATOM 986 O ARG A 318 7.710 -7.876 -2.607 1.00 0.00 O ATOM 987 CB ARG A 318 10.554 -6.608 -2.587 1.00 0.00 C ATOM 988 CG ARG A 318 10.572 -7.798 -3.533 1.00 0.00 C ATOM 989 CD ARG A 318 11.946 -7.997 -4.152 1.00 0.00 C ATOM 990 NE ARG A 318 12.300 -6.909 -5.059 1.00 0.00 N ATOM 991 CZ ARG A 318 11.922 -6.860 -6.332 1.00 0.00 C ATOM 992 NH1 ARG A 318 11.181 -7.833 -6.844 1.00 0.00 N ATOM 993 NH2 ARG A 318 12.284 -5.836 -7.094 1.00 0.00 N ATOM 0 H ARG A 318 10.491 -8.480 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 318 9.525 -5.812 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 318 10.383 -5.699 -3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 318 11.535 -6.510 -2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 318 10.282 -8.699 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 318 9.835 -7.648 -4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 318 12.693 -8.067 -3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 318 11.966 -8.942 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 318 12.869 -6.144 -4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 318 10.900 -8.621 -6.260 1.00 0.00 H new ATOM 0 HH12 ARG A 318 10.892 -7.793 -7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 318 12.853 -5.085 -6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 318 11.993 -5.799 -8.071 1.00 0.00 H new ATOM 1007 N VAL A 319 7.370 -5.708 -2.111 1.00 0.00 N ATOM 1008 CA VAL A 319 6.029 -5.675 -2.681 1.00 0.00 C ATOM 1009 C VAL A 319 5.654 -4.265 -3.122 1.00 0.00 C ATOM 1010 O VAL A 319 6.174 -3.279 -2.598 1.00 0.00 O ATOM 1011 CB VAL A 319 4.978 -6.182 -1.675 1.00 0.00 C ATOM 1012 CG1 VAL A 319 5.215 -7.649 -1.350 1.00 0.00 C ATOM 1013 CG2 VAL A 319 5.000 -5.337 -0.410 1.00 0.00 C ATOM 0 H VAL A 319 7.681 -4.822 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 319 6.038 -6.334 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 319 3.991 -6.089 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 319 4.463 -7.990 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 319 5.144 -8.240 -2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 319 6.207 -7.770 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 319 4.251 -5.709 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 319 5.987 -5.395 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 319 4.778 -4.300 -0.661 1.00 0.00 H new ATOM 1023 N LYS A 320 4.748 -4.175 -4.090 1.00 0.00 N ATOM 1024 CA LYS A 320 4.301 -2.885 -4.603 1.00 0.00 C ATOM 1025 C LYS A 320 2.976 -2.476 -3.966 1.00 0.00 C ATOM 1026 O LYS A 320 2.052 -3.282 -3.861 1.00 0.00 O ATOM 1027 CB LYS A 320 4.151 -2.942 -6.125 1.00 0.00 C ATOM 1028 CG LYS A 320 5.419 -3.365 -6.845 1.00 0.00 C ATOM 1029 CD LYS A 320 5.361 -3.021 -8.324 1.00 0.00 C ATOM 1030 CE LYS A 320 5.916 -1.630 -8.594 1.00 0.00 C ATOM 1031 NZ LYS A 320 7.387 -1.656 -8.826 1.00 0.00 N ATOM 0 H LYS A 320 4.309 -4.981 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 320 5.053 -2.139 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 320 3.351 -3.638 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 320 3.847 -1.961 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 320 6.279 -2.873 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 320 5.566 -4.438 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 320 5.929 -3.757 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 320 4.329 -3.076 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 320 5.418 -1.203 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 320 5.693 -0.979 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 320 7.859 -1.041 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 320 7.738 -2.629 -8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 320 7.593 -1.316 -9.787 1.00 0.00 H new ATOM 1045 N VAL A 321 2.892 -1.218 -3.543 1.00 0.00 N ATOM 1046 CA VAL A 321 1.679 -0.702 -2.919 1.00 0.00 C ATOM 1047 C VAL A 321 1.332 0.682 -3.455 1.00 0.00 C ATOM 1048 O VAL A 321 2.191 1.390 -3.983 1.00 0.00 O ATOM 1049 CB VAL A 321 1.825 -0.625 -1.388 1.00 0.00 C ATOM 1050 CG1 VAL A 321 1.980 -2.017 -0.795 1.00 0.00 C ATOM 1051 CG2 VAL A 321 3.004 0.259 -1.009 1.00 0.00 C ATOM 0 H VAL A 321 3.649 -0.538 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 321 0.876 -1.396 -3.166 1.00 0.00 H new ATOM 0 HB VAL A 321 0.919 -0.180 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 321 2.082 -1.942 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 321 1.101 -2.615 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 321 2.868 -2.493 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 321 3.092 0.302 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 321 3.920 -0.155 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 321 2.846 1.264 -1.400 1.00 0.00 H new ATOM 1061 N LYS A 322 0.067 1.064 -3.317 1.00 0.00 N ATOM 1062 CA LYS A 322 -0.396 2.365 -3.786 1.00 0.00 C ATOM 1063 C LYS A 322 -0.948 3.195 -2.631 1.00 0.00 C ATOM 1064 O LYS A 322 -1.573 2.662 -1.714 1.00 0.00 O ATOM 1065 CB LYS A 322 -1.470 2.190 -4.861 1.00 0.00 C ATOM 1066 CG LYS A 322 -2.110 3.496 -5.300 1.00 0.00 C ATOM 1067 CD LYS A 322 -3.548 3.290 -5.745 1.00 0.00 C ATOM 1068 CE LYS A 322 -3.621 2.778 -7.175 1.00 0.00 C ATOM 1069 NZ LYS A 322 -3.684 3.892 -8.161 1.00 0.00 N ATOM 0 H LYS A 322 -0.657 0.491 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 322 0.456 2.893 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 322 -1.027 1.702 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 322 -2.246 1.524 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 322 -2.081 4.211 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 322 -1.533 3.928 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 322 -4.038 2.581 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 322 -4.093 4.231 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 322 -2.749 2.158 -7.383 1.00 0.00 H new ATOM 0 HE3 LYS A 322 -4.499 2.142 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 322 -3.096 3.659 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 322 -4.669 4.031 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 322 -3.332 4.766 -7.721 1.00 0.00 H new ATOM 1083 N VAL A 323 -0.714 4.502 -2.682 1.00 0.00 N ATOM 1084 CA VAL A 323 -1.190 5.405 -1.642 1.00 0.00 C ATOM 1085 C VAL A 323 -2.675 5.708 -1.814 1.00 0.00 C ATOM 1086 O VAL A 323 -3.062 6.507 -2.666 1.00 0.00 O ATOM 1087 CB VAL A 323 -0.404 6.730 -1.645 1.00 0.00 C ATOM 1088 CG1 VAL A 323 -0.902 7.650 -0.541 1.00 0.00 C ATOM 1089 CG2 VAL A 323 1.086 6.465 -1.498 1.00 0.00 C ATOM 0 H VAL A 323 -0.197 4.959 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 323 -1.033 4.900 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 323 -0.569 7.228 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 323 -0.335 8.581 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 323 -1.959 7.866 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 323 -0.770 7.163 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 323 1.626 7.412 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 323 1.272 5.945 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 323 1.429 5.848 -2.328 1.00 0.00 H new ATOM 1099 N LEU A 324 -3.502 5.063 -0.998 1.00 0.00 N ATOM 1100 CA LEU A 324 -4.946 5.263 -1.059 1.00 0.00 C ATOM 1101 C LEU A 324 -5.329 6.635 -0.512 1.00 0.00 C ATOM 1102 O LEU A 324 -5.990 7.421 -1.190 1.00 0.00 O ATOM 1103 CB LEU A 324 -5.666 4.168 -0.270 1.00 0.00 C ATOM 1104 CG LEU A 324 -5.369 2.729 -0.694 1.00 0.00 C ATOM 1105 CD1 LEU A 324 -5.813 1.752 0.383 1.00 0.00 C ATOM 1106 CD2 LEU A 324 -6.050 2.413 -2.018 1.00 0.00 C ATOM 0 H LEU A 324 -3.198 4.398 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 324 -5.252 5.210 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -5.406 4.276 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -6.740 4.335 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 324 -4.292 2.624 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -5.593 0.733 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -5.279 1.964 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -6.885 1.857 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 324 -5.828 1.385 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -7.128 2.535 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 324 -5.682 3.092 -2.787 1.00 0.00 H new ATOM 1118 N SER A 325 -4.908 6.916 0.717 1.00 0.00 N ATOM 1119 CA SER A 325 -5.208 8.192 1.355 1.00 0.00 C ATOM 1120 C SER A 325 -4.175 8.518 2.429 1.00 0.00 C ATOM 1121 O SER A 325 -3.570 7.622 3.018 1.00 0.00 O ATOM 1122 CB SER A 325 -6.609 8.161 1.970 1.00 0.00 C ATOM 1123 OG SER A 325 -6.652 7.304 3.098 1.00 0.00 O ATOM 0 H SER A 325 -4.358 6.277 1.291 1.00 0.00 H new ATOM 0 HA SER A 325 -5.171 8.970 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 325 -6.903 9.169 2.264 1.00 0.00 H new ATOM 0 HB3 SER A 325 -7.329 7.823 1.225 1.00 0.00 H new ATOM 0 HG SER A 325 -7.557 7.303 3.474 1.00 0.00 H new ATOM 1129 N PHE A 326 -3.978 9.809 2.679 1.00 0.00 N ATOM 1130 CA PHE A 326 -3.018 10.256 3.681 1.00 0.00 C ATOM 1131 C PHE A 326 -3.609 11.369 4.542 1.00 0.00 C ATOM 1132 O PHE A 326 -4.087 12.380 4.027 1.00 0.00 O ATOM 1133 CB PHE A 326 -1.734 10.743 3.007 1.00 0.00 C ATOM 1134 CG PHE A 326 -0.808 11.473 3.937 1.00 0.00 C ATOM 1135 CD1 PHE A 326 -1.059 12.788 4.295 1.00 0.00 C ATOM 1136 CD2 PHE A 326 0.313 10.844 4.454 1.00 0.00 C ATOM 1137 CE1 PHE A 326 -0.208 13.462 5.150 1.00 0.00 C ATOM 1138 CE2 PHE A 326 1.167 11.513 5.311 1.00 0.00 C ATOM 1139 CZ PHE A 326 0.906 12.823 5.659 1.00 0.00 C ATOM 0 H PHE A 326 -4.471 10.563 2.201 1.00 0.00 H new ATOM 0 HA PHE A 326 -2.782 9.409 4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 326 -1.209 9.887 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 326 -1.995 11.400 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 326 -1.929 13.292 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 326 0.522 9.819 4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 326 -0.414 14.487 5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 326 2.037 11.011 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 326 1.572 13.348 6.328 1.00 0.00 H new ATOM 1149 N THR A 327 -3.572 11.175 5.856 1.00 0.00 N ATOM 1150 CA THR A 327 -4.104 12.161 6.789 1.00 0.00 C ATOM 1151 C THR A 327 -3.318 12.162 8.095 1.00 0.00 C ATOM 1152 O THR A 327 -3.349 11.191 8.850 1.00 0.00 O ATOM 1153 CB THR A 327 -5.590 11.897 7.097 1.00 0.00 C ATOM 1154 OG1 THR A 327 -6.063 12.837 8.068 1.00 0.00 O ATOM 1155 CG2 THR A 327 -5.793 10.481 7.615 1.00 0.00 C ATOM 0 H THR A 327 -3.179 10.344 6.299 1.00 0.00 H new ATOM 0 HA THR A 327 -4.007 13.135 6.310 1.00 0.00 H new ATOM 0 HB THR A 327 -6.156 12.013 6.173 1.00 0.00 H new ATOM 0 HG1 THR A 327 -7.009 12.664 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 327 -6.850 10.319 7.825 1.00 0.00 H new ATOM 0 HG22 THR A 327 -5.459 9.767 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 327 -5.216 10.342 8.529 1.00 0.00 H new ATOM 1163 N GLY A 328 -2.615 13.259 8.357 1.00 0.00 N ATOM 1164 CA GLY A 328 -1.831 13.366 9.573 1.00 0.00 C ATOM 1165 C GLY A 328 -0.825 12.241 9.715 1.00 0.00 C ATOM 1166 O GLY A 328 0.056 12.075 8.871 1.00 0.00 O ATOM 0 H GLY A 328 -2.574 14.076 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 328 -1.306 14.321 9.581 1.00 0.00 H new ATOM 0 HA3 GLY A 328 -2.499 13.362 10.434 1.00 0.00 H new ATOM 1170 N THR A 329 -0.954 11.466 10.788 1.00 0.00 N ATOM 1171 CA THR A 329 -0.047 10.353 11.039 1.00 0.00 C ATOM 1172 C THR A 329 -0.654 9.034 10.576 1.00 0.00 C ATOM 1173 O THR A 329 -0.535 8.012 11.252 1.00 0.00 O ATOM 1174 CB THR A 329 0.307 10.244 12.535 1.00 0.00 C ATOM 1175 OG1 THR A 329 -0.889 10.211 13.321 1.00 0.00 O ATOM 1176 CG2 THR A 329 1.175 11.415 12.971 1.00 0.00 C ATOM 0 H THR A 329 -1.677 11.589 11.496 1.00 0.00 H new ATOM 0 HA THR A 329 0.862 10.551 10.471 1.00 0.00 H new ATOM 0 HB THR A 329 0.866 9.321 12.688 1.00 0.00 H new ATOM 0 HG1 THR A 329 -0.655 10.140 14.270 1.00 0.00 H new ATOM 0 HG21 THR A 329 1.413 11.317 14.030 1.00 0.00 H new ATOM 0 HG22 THR A 329 2.098 11.420 12.391 1.00 0.00 H new ATOM 0 HG23 THR A 329 0.637 12.348 12.804 1.00 0.00 H new ATOM 1184 N LYS A 330 -1.305 9.062 9.418 1.00 0.00 N ATOM 1185 CA LYS A 330 -1.930 7.868 8.861 1.00 0.00 C ATOM 1186 C LYS A 330 -1.634 7.743 7.370 1.00 0.00 C ATOM 1187 O LYS A 330 -1.801 8.698 6.611 1.00 0.00 O ATOM 1188 CB LYS A 330 -3.443 7.905 9.090 1.00 0.00 C ATOM 1189 CG LYS A 330 -3.850 7.592 10.519 1.00 0.00 C ATOM 1190 CD LYS A 330 -4.094 6.105 10.716 1.00 0.00 C ATOM 1191 CE LYS A 330 -2.825 5.383 11.141 1.00 0.00 C ATOM 1192 NZ LYS A 330 -3.101 3.988 11.583 1.00 0.00 N ATOM 0 H LYS A 330 -1.414 9.900 8.846 1.00 0.00 H new ATOM 0 HA LYS A 330 -1.512 6.999 9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 330 -3.818 8.893 8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 330 -3.921 7.190 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 330 -3.070 7.927 11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 330 -4.754 8.147 10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 330 -4.867 5.959 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 330 -4.468 5.671 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 330 -2.120 5.368 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 330 -2.349 5.933 11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 330 -2.210 3.530 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 330 -3.753 4.003 12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 330 -3.532 3.455 10.801 1.00 0.00 H new ATOM 1206 N THR A 331 -1.193 6.559 6.956 1.00 0.00 N ATOM 1207 CA THR A 331 -0.874 6.310 5.556 1.00 0.00 C ATOM 1208 C THR A 331 -1.394 4.949 5.108 1.00 0.00 C ATOM 1209 O THR A 331 -0.854 3.911 5.490 1.00 0.00 O ATOM 1210 CB THR A 331 0.645 6.375 5.306 1.00 0.00 C ATOM 1211 OG1 THR A 331 1.198 7.530 5.946 1.00 0.00 O ATOM 1212 CG2 THR A 331 0.946 6.421 3.816 1.00 0.00 C ATOM 0 H THR A 331 -1.049 5.758 7.571 1.00 0.00 H new ATOM 0 HA THR A 331 -1.364 7.092 4.976 1.00 0.00 H new ATOM 0 HB THR A 331 1.099 5.477 5.725 1.00 0.00 H new ATOM 0 HG1 THR A 331 2.164 7.563 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 331 2.024 6.467 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 331 0.549 5.526 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 331 0.480 7.304 3.378 1.00 0.00 H new ATOM 1220 N SER A 332 -2.444 4.961 4.293 1.00 0.00 N ATOM 1221 CA SER A 332 -3.039 3.726 3.795 1.00 0.00 C ATOM 1222 C SER A 332 -2.255 3.188 2.602 1.00 0.00 C ATOM 1223 O SER A 332 -1.590 3.942 1.890 1.00 0.00 O ATOM 1224 CB SER A 332 -4.497 3.962 3.397 1.00 0.00 C ATOM 1225 OG SER A 332 -5.331 4.044 4.540 1.00 0.00 O ATOM 0 H SER A 332 -2.900 5.812 3.964 1.00 0.00 H new ATOM 0 HA SER A 332 -3.003 2.986 4.595 1.00 0.00 H new ATOM 0 HB2 SER A 332 -4.575 4.883 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 332 -4.837 3.152 2.752 1.00 0.00 H new ATOM 0 HG SER A 332 -6.257 4.197 4.259 1.00 0.00 H new ATOM 1231 N LEU A 333 -2.337 1.879 2.389 1.00 0.00 N ATOM 1232 CA LEU A 333 -1.636 1.238 1.282 1.00 0.00 C ATOM 1233 C LEU A 333 -2.452 0.080 0.718 1.00 0.00 C ATOM 1234 O LEU A 333 -3.077 -0.674 1.465 1.00 0.00 O ATOM 1235 CB LEU A 333 -0.267 0.736 1.743 1.00 0.00 C ATOM 1236 CG LEU A 333 0.713 1.805 2.228 1.00 0.00 C ATOM 1237 CD1 LEU A 333 1.985 1.163 2.759 1.00 0.00 C ATOM 1238 CD2 LEU A 333 1.035 2.781 1.105 1.00 0.00 C ATOM 0 H LEU A 333 -2.882 1.241 2.969 1.00 0.00 H new ATOM 0 HA LEU A 333 -1.498 1.978 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -0.418 0.018 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 333 0.196 0.195 0.918 1.00 0.00 H new ATOM 0 HG LEU A 333 0.244 2.358 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 333 2.670 1.940 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 333 1.740 0.505 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 333 2.458 0.584 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 333 1.734 3.535 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 333 1.484 2.241 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 333 0.118 3.267 0.771 1.00 0.00 H new ATOM 1250 N SER A 334 -2.441 -0.057 -0.604 1.00 0.00 N ATOM 1251 CA SER A 334 -3.181 -1.123 -1.268 1.00 0.00 C ATOM 1252 C SER A 334 -2.236 -2.052 -2.024 1.00 0.00 C ATOM 1253 O SER A 334 -1.250 -1.607 -2.612 1.00 0.00 O ATOM 1254 CB SER A 334 -4.212 -0.532 -2.232 1.00 0.00 C ATOM 1255 OG SER A 334 -3.579 0.136 -3.309 1.00 0.00 O ATOM 0 H SER A 334 -1.928 0.557 -1.236 1.00 0.00 H new ATOM 0 HA SER A 334 -3.698 -1.703 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 334 -4.851 -1.326 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 334 -4.857 0.165 -1.697 1.00 0.00 H new ATOM 0 HG SER A 334 -3.968 1.029 -3.414 1.00 0.00 H new ATOM 1261 N MET A 335 -2.544 -3.344 -2.003 1.00 0.00 N ATOM 1262 CA MET A 335 -1.723 -4.337 -2.687 1.00 0.00 C ATOM 1263 C MET A 335 -2.493 -4.982 -3.834 1.00 0.00 C ATOM 1264 O MET A 335 -2.037 -4.987 -4.978 1.00 0.00 O ATOM 1265 CB MET A 335 -1.257 -5.410 -1.702 1.00 0.00 C ATOM 1266 CG MET A 335 -0.093 -4.970 -0.829 1.00 0.00 C ATOM 1267 SD MET A 335 0.666 -6.342 0.061 1.00 0.00 S ATOM 1268 CE MET A 335 1.220 -7.364 -1.302 1.00 0.00 C ATOM 0 H MET A 335 -3.356 -3.728 -1.520 1.00 0.00 H new ATOM 0 HA MET A 335 -0.851 -3.830 -3.099 1.00 0.00 H new ATOM 0 HB2 MET A 335 -2.093 -5.692 -1.063 1.00 0.00 H new ATOM 0 HB3 MET A 335 -0.966 -6.301 -2.259 1.00 0.00 H new ATOM 0 HG2 MET A 335 0.659 -4.485 -1.451 1.00 0.00 H new ATOM 0 HG3 MET A 335 -0.442 -4.226 -0.113 1.00 0.00 H new ATOM 0 HE1 MET A 335 2.079 -7.956 -0.987 1.00 0.00 H new ATOM 0 HE2 MET A 335 0.413 -8.030 -1.609 1.00 0.00 H new ATOM 0 HE3 MET A 335 1.505 -6.729 -2.141 1.00 0.00 H new ATOM 1278 N LYS A 336 -3.664 -5.528 -3.522 1.00 0.00 N ATOM 1279 CA LYS A 336 -4.499 -6.176 -4.526 1.00 0.00 C ATOM 1280 C LYS A 336 -4.805 -5.223 -5.677 1.00 0.00 C ATOM 1281 O LYS A 336 -4.996 -5.650 -6.815 1.00 0.00 O ATOM 1282 CB LYS A 336 -5.805 -6.665 -3.895 1.00 0.00 C ATOM 1283 CG LYS A 336 -6.637 -5.553 -3.279 1.00 0.00 C ATOM 1284 CD LYS A 336 -8.102 -5.944 -3.178 1.00 0.00 C ATOM 1285 CE LYS A 336 -8.931 -4.839 -2.543 1.00 0.00 C ATOM 1286 NZ LYS A 336 -10.387 -5.023 -2.794 1.00 0.00 N ATOM 0 H LYS A 336 -4.056 -5.534 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 336 -3.950 -7.031 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -6.398 -7.173 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 336 -5.574 -7.403 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -6.253 -5.317 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -6.541 -4.649 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -8.490 -6.166 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -8.197 -6.856 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -8.747 -4.819 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -8.614 -3.874 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -10.917 -4.249 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -10.566 -5.016 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -10.696 -5.932 -2.394 1.00 0.00 H new ATOM 1300 N ASP A 337 -4.848 -3.930 -5.373 1.00 0.00 N ATOM 1301 CA ASP A 337 -5.128 -2.916 -6.383 1.00 0.00 C ATOM 1302 C ASP A 337 -3.879 -2.607 -7.203 1.00 0.00 C ATOM 1303 O ASP A 337 -3.969 -2.196 -8.360 1.00 0.00 O ATOM 1304 CB ASP A 337 -5.649 -1.639 -5.723 1.00 0.00 C ATOM 1305 CG ASP A 337 -7.149 -1.668 -5.509 1.00 0.00 C ATOM 1306 OD1 ASP A 337 -7.836 -2.431 -6.221 1.00 0.00 O ATOM 1307 OD2 ASP A 337 -7.637 -0.930 -4.629 1.00 0.00 O ATOM 0 H ASP A 337 -4.693 -3.560 -4.435 1.00 0.00 H new ATOM 0 HA ASP A 337 -5.893 -3.307 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 337 -5.151 -1.500 -4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 337 -5.390 -0.781 -6.344 1.00 0.00 H new ATOM 1312 N VAL A 338 -2.714 -2.807 -6.595 1.00 0.00 N ATOM 1313 CA VAL A 338 -1.446 -2.549 -7.268 1.00 0.00 C ATOM 1314 C VAL A 338 -0.914 -3.811 -7.939 1.00 0.00 C ATOM 1315 O VAL A 338 -0.583 -4.790 -7.269 1.00 0.00 O ATOM 1316 CB VAL A 338 -0.386 -2.017 -6.286 1.00 0.00 C ATOM 1317 CG1 VAL A 338 0.966 -1.897 -6.972 1.00 0.00 C ATOM 1318 CG2 VAL A 338 -0.821 -0.679 -5.708 1.00 0.00 C ATOM 0 H VAL A 338 -2.622 -3.147 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 338 -1.639 -1.791 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 338 -0.287 -2.727 -5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 338 1.702 -1.520 -6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 338 1.279 -2.877 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 338 0.887 -1.209 -7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 338 -0.061 -0.317 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 338 -0.949 0.042 -6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 338 -1.765 -0.802 -5.178 1.00 0.00 H new ATOM 1328 N ASP A 339 -0.833 -3.780 -9.264 1.00 0.00 N ATOM 1329 CA ASP A 339 -0.338 -4.921 -10.026 1.00 0.00 C ATOM 1330 C ASP A 339 1.110 -5.232 -9.662 1.00 0.00 C ATOM 1331 O ASP A 339 2.014 -4.452 -9.955 1.00 0.00 O ATOM 1332 CB ASP A 339 -0.452 -4.647 -11.527 1.00 0.00 C ATOM 1333 CG ASP A 339 -0.632 -5.917 -12.335 1.00 0.00 C ATOM 1334 OD1 ASP A 339 0.277 -6.773 -12.308 1.00 0.00 O ATOM 1335 OD2 ASP A 339 -1.683 -6.056 -12.995 1.00 0.00 O ATOM 0 H ASP A 339 -1.103 -2.978 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 339 -0.950 -5.787 -9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -1.296 -3.981 -11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 339 0.443 -4.127 -11.868 1.00 0.00 H new ATOM 1340 N GLN A 340 1.320 -6.377 -9.019 1.00 0.00 N ATOM 1341 CA GLN A 340 2.658 -6.789 -8.613 1.00 0.00 C ATOM 1342 C GLN A 340 3.515 -7.130 -9.828 1.00 0.00 C ATOM 1343 O GLN A 340 4.698 -7.444 -9.696 1.00 0.00 O ATOM 1344 CB GLN A 340 2.581 -7.995 -7.675 1.00 0.00 C ATOM 1345 CG GLN A 340 1.808 -7.721 -6.395 1.00 0.00 C ATOM 1346 CD GLN A 340 2.478 -6.679 -5.520 1.00 0.00 C ATOM 1347 OE1 GLN A 340 3.565 -6.906 -4.987 1.00 0.00 O ATOM 1348 NE2 GLN A 340 1.832 -5.529 -5.368 1.00 0.00 N ATOM 0 H GLN A 340 0.581 -7.034 -8.769 1.00 0.00 H new ATOM 0 HA GLN A 340 3.122 -5.956 -8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 340 2.112 -8.826 -8.202 1.00 0.00 H new ATOM 0 HB3 GLN A 340 3.592 -8.311 -7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 340 0.802 -7.386 -6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 340 1.703 -8.649 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 340 0.933 -5.384 -5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 340 2.234 -4.790 -4.791 1.00 0.00 H new ATOM 1357 N GLU A 341 2.910 -7.066 -11.010 1.00 0.00 N ATOM 1358 CA GLU A 341 3.619 -7.369 -12.248 1.00 0.00 C ATOM 1359 C GLU A 341 4.373 -6.144 -12.757 1.00 0.00 C ATOM 1360 O GLU A 341 5.525 -6.240 -13.181 1.00 0.00 O ATOM 1361 CB GLU A 341 2.639 -7.859 -13.316 1.00 0.00 C ATOM 1362 CG GLU A 341 3.316 -8.503 -14.513 1.00 0.00 C ATOM 1363 CD GLU A 341 4.436 -9.444 -14.114 1.00 0.00 C ATOM 1364 OE1 GLU A 341 5.522 -8.951 -13.742 1.00 0.00 O ATOM 1365 OE2 GLU A 341 4.227 -10.674 -14.173 1.00 0.00 O ATOM 0 H GLU A 341 1.931 -6.807 -11.136 1.00 0.00 H new ATOM 0 HA GLU A 341 4.342 -8.158 -12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 341 1.954 -8.578 -12.866 1.00 0.00 H new ATOM 0 HB3 GLU A 341 2.037 -7.017 -13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 341 2.574 -9.052 -15.093 1.00 0.00 H new ATOM 0 HG3 GLU A 341 3.715 -7.724 -15.162 1.00 0.00 H new ATOM 1372 N THR A 342 3.714 -4.990 -12.712 1.00 0.00 N ATOM 1373 CA THR A 342 4.319 -3.746 -13.170 1.00 0.00 C ATOM 1374 C THR A 342 4.098 -2.623 -12.163 1.00 0.00 C ATOM 1375 O THR A 342 4.964 -1.772 -11.967 1.00 0.00 O ATOM 1376 CB THR A 342 3.752 -3.314 -14.536 1.00 0.00 C ATOM 1377 OG1 THR A 342 2.412 -2.834 -14.380 1.00 0.00 O ATOM 1378 CG2 THR A 342 3.770 -4.474 -15.520 1.00 0.00 C ATOM 0 H THR A 342 2.761 -4.892 -12.363 1.00 0.00 H new ATOM 0 HA THR A 342 5.388 -3.934 -13.272 1.00 0.00 H new ATOM 0 HB THR A 342 4.380 -2.515 -14.930 1.00 0.00 H new ATOM 0 HG1 THR A 342 2.135 -2.367 -15.196 1.00 0.00 H new ATOM 0 HG21 THR A 342 3.365 -4.145 -16.477 1.00 0.00 H new ATOM 0 HG22 THR A 342 4.795 -4.818 -15.658 1.00 0.00 H new ATOM 0 HG23 THR A 342 3.163 -5.291 -15.130 1.00 0.00 H new ATOM 1386 N GLY A 343 2.931 -2.628 -11.525 1.00 0.00 N ATOM 1387 CA GLY A 343 2.617 -1.605 -10.545 1.00 0.00 C ATOM 1388 C GLY A 343 1.745 -0.504 -11.115 1.00 0.00 C ATOM 1389 O GLY A 343 1.921 0.668 -10.786 1.00 0.00 O ATOM 0 H GLY A 343 2.198 -3.322 -11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 343 2.110 -2.063 -9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 343 3.543 -1.172 -10.167 1.00 0.00 H new ATOM 1393 N GLU A 344 0.802 -0.882 -11.972 1.00 0.00 N ATOM 1394 CA GLU A 344 -0.099 0.083 -12.591 1.00 0.00 C ATOM 1395 C GLU A 344 -1.288 0.379 -11.680 1.00 0.00 C ATOM 1396 O GLU A 344 -1.474 -0.275 -10.654 1.00 0.00 O ATOM 1397 CB GLU A 344 -0.594 -0.440 -13.941 1.00 0.00 C ATOM 1398 CG GLU A 344 0.294 -0.045 -15.109 1.00 0.00 C ATOM 1399 CD GLU A 344 0.119 -0.956 -16.309 1.00 0.00 C ATOM 1400 OE1 GLU A 344 -1.026 -1.378 -16.572 1.00 0.00 O ATOM 1401 OE2 GLU A 344 1.128 -1.246 -16.984 1.00 0.00 O ATOM 0 H GLU A 344 0.642 -1.849 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 344 0.455 1.008 -12.750 1.00 0.00 H new ATOM 0 HB2 GLU A 344 -0.661 -1.527 -13.898 1.00 0.00 H new ATOM 0 HB3 GLU A 344 -1.602 -0.065 -14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 344 0.069 0.981 -15.401 1.00 0.00 H new ATOM 0 HG3 GLU A 344 1.336 -0.065 -14.791 1.00 0.00 H new ATOM 1408 N ASP A 345 -2.088 1.367 -12.064 1.00 0.00 N ATOM 1409 CA ASP A 345 -3.259 1.750 -11.284 1.00 0.00 C ATOM 1410 C ASP A 345 -4.487 0.961 -11.726 1.00 0.00 C ATOM 1411 O ASP A 345 -5.127 1.295 -12.724 1.00 0.00 O ATOM 1412 CB ASP A 345 -3.523 3.250 -11.424 1.00 0.00 C ATOM 1413 CG ASP A 345 -4.974 3.608 -11.169 1.00 0.00 C ATOM 1414 OD1 ASP A 345 -5.653 2.853 -10.442 1.00 0.00 O ATOM 1415 OD2 ASP A 345 -5.432 4.643 -11.698 1.00 0.00 O ATOM 0 H ASP A 345 -1.947 1.918 -12.911 1.00 0.00 H new ATOM 0 HA ASP A 345 -3.059 1.521 -10.237 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -2.889 3.795 -10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -3.243 3.573 -12.426 1.00 0.00 H new