USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 663 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: B 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 80 ASN : amide:sc= -0.729! X(o=-0.73!,f=-0.65) USER MOD Set 2.1: B 53 ASN : amide:sc= 1.05 X(o=1.7,f=1.4) USER MOD Set 2.2: B 67 ASN : amide:sc= 0.663 X(o=1.7,f=1.4) USER MOD Set 3.1: B 11 ASN : amide:sc= 0.0167 K(o=-0.32,f=-1.9) USER MOD Set 3.2: B 14 ASN :FLIP amide:sc= -0.267 F(o=-1.9,f=-0.32) USER MOD Set 3.3: B 31 MET CE :methyl 151:sc= -0.0713 (180deg=-0.187) USER MOD Single : B 10 MET CE :methyl -146:sc= 0 (180deg=-1.82!) USER MOD Single : B 12 SER OG : rot -173:sc= 0.999 USER MOD Single : B 15 SER OG : rot 41:sc= 0.84 USER MOD Single : B 17 ASN :FLIP amide:sc= -0.154 F(o=-3.5!,f=-0.15) USER MOD Single : B 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0319) USER MOD Single : B 21 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.53) USER MOD Single : B 22 LYS NZ :NH3+ 162:sc= -0.0343 (180deg=-0.313) USER MOD Single : B 24 LYS NZ :NH3+ 170:sc= 1.09 (180deg=0.792) USER MOD Single : B 26 LYS NZ :NH3+ -161:sc= -1.52 (180deg=-2.37!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= -2.07! USER MOD Single : B 32 ASN : amide:sc= 0.0822 X(o=0.082,f=-0.00058) USER MOD Single : B 34 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.042) USER MOD Single : B 35 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.26 USER MOD Single : B 40 SER OG : rot 158:sc= 0.00151 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= -0.147 K(o=-0.15,f=-3.3!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ -170:sc=-0.00196 (180deg=-0.0948) USER MOD Single : B 59 ASN :FLIP amide:sc= -0.329 F(o=-0.92,f=-0.33) USER MOD Single : B 62 LYS NZ :NH3+ -134:sc= -3.78! (180deg=-7.71!) USER MOD Single : B 64 TYR OH : rot -57:sc= -2.05! USER MOD Single : B 65 THR OG1 : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot 180:sc= -0.788 USER MOD Single : B 71 THR OG1 : rot -0:sc= 1.26 USER MOD Single : B 74 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 81 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0.822) USER MOD Single : B 83 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.9!) USER MOD Single : B 85 LYS NZ :NH3+ -164:sc= -0.04 (180deg=-0.269) USER MOD Single : B 87 MET CE :methyl 158:sc= -0.135 (180deg=-0.651) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN :FLIP amide:sc= -1.13! C(o=-2.5!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 12.423 -1.187 3.550 1.00 0.00 N ATOM 145 CA MET B 10 12.243 0.005 4.369 1.00 0.00 C ATOM 146 C MET B 10 11.221 -0.229 5.479 1.00 0.00 C ATOM 147 O MET B 10 10.304 -1.036 5.342 1.00 0.00 O ATOM 148 CB MET B 10 11.800 1.174 3.486 1.00 0.00 C ATOM 149 CG MET B 10 12.835 1.573 2.445 1.00 0.00 C ATOM 150 SD MET B 10 14.363 2.177 3.186 1.00 0.00 S ATOM 151 CE MET B 10 15.389 2.393 1.735 1.00 0.00 C ATOM 0 HA MET B 10 13.197 0.242 4.840 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.872 0.906 2.981 1.00 0.00 H new ATOM 0 HB3 MET B 10 11.582 2.035 4.118 1.00 0.00 H new ATOM 0 HG2 MET B 10 13.057 0.715 1.811 1.00 0.00 H new ATOM 0 HG3 MET B 10 12.417 2.346 1.800 1.00 0.00 H new ATOM 0 HE1 MET B 10 16.426 2.167 1.985 1.00 0.00 H new ATOM 0 HE2 MET B 10 15.051 1.720 0.947 1.00 0.00 H new ATOM 0 HE3 MET B 10 15.316 3.424 1.388 1.00 0.00 H new ATOM 161 N ASN B 11 11.398 0.493 6.582 1.00 0.00 N ATOM 162 CA ASN B 11 10.500 0.428 7.722 1.00 0.00 C ATOM 163 C ASN B 11 9.100 0.887 7.334 1.00 0.00 C ATOM 164 O ASN B 11 8.105 0.500 7.946 1.00 0.00 O ATOM 165 CB ASN B 11 11.029 1.312 8.853 1.00 0.00 C ATOM 166 CG ASN B 11 10.197 1.227 10.123 1.00 0.00 C ATOM 167 OD1 ASN B 11 9.657 0.173 10.466 1.00 0.00 O ATOM 168 ND2 ASN B 11 10.072 2.345 10.820 1.00 0.00 N ATOM 0 H ASN B 11 12.175 1.142 6.707 1.00 0.00 H new ATOM 0 HA ASN B 11 10.449 -0.608 8.058 1.00 0.00 H new ATOM 0 HB2 ASN B 11 12.056 1.024 9.080 1.00 0.00 H new ATOM 0 HB3 ASN B 11 11.056 2.347 8.513 1.00 0.00 H new ATOM 0 HD21 ASN B 11 9.513 2.354 11.673 1.00 0.00 H new ATOM 0 HD22 ASN B 11 10.534 3.197 10.504 1.00 0.00 H new ATOM 175 N SER B 12 9.038 1.705 6.293 1.00 0.00 N ATOM 176 CA SER B 12 7.790 2.278 5.839 1.00 0.00 C ATOM 177 C SER B 12 6.883 1.185 5.290 1.00 0.00 C ATOM 178 O SER B 12 5.660 1.313 5.329 1.00 0.00 O ATOM 179 CB SER B 12 8.061 3.349 4.777 1.00 0.00 C ATOM 180 OG SER B 12 6.888 4.087 4.470 1.00 0.00 O ATOM 0 H SER B 12 9.851 1.986 5.745 1.00 0.00 H new ATOM 0 HA SER B 12 7.284 2.751 6.681 1.00 0.00 H new ATOM 0 HB2 SER B 12 8.836 4.028 5.133 1.00 0.00 H new ATOM 0 HB3 SER B 12 8.442 2.877 3.872 1.00 0.00 H new ATOM 0 HG SER B 12 7.067 4.688 3.717 1.00 0.00 H new ATOM 186 N ILE B 13 7.485 0.092 4.819 1.00 0.00 N ATOM 187 CA ILE B 13 6.722 -1.031 4.294 1.00 0.00 C ATOM 188 C ILE B 13 5.781 -1.566 5.364 1.00 0.00 C ATOM 189 O ILE B 13 4.638 -1.937 5.094 1.00 0.00 O ATOM 190 CB ILE B 13 7.634 -2.198 3.853 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.757 -1.713 2.939 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.815 -3.277 3.156 1.00 0.00 C ATOM 193 CD1 ILE B 13 8.305 -1.366 1.536 1.00 0.00 C ATOM 0 H ILE B 13 8.497 -0.035 4.792 1.00 0.00 H new ATOM 0 HA ILE B 13 6.171 -0.659 3.430 1.00 0.00 H new ATOM 0 HB ILE B 13 8.090 -2.621 4.748 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.222 -0.835 3.387 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.524 -2.486 2.882 1.00 0.00 H new ATOM 0 HG21 ILE B 13 7.471 -4.092 2.851 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.057 -3.658 3.841 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.330 -2.854 2.276 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.161 -1.030 0.951 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.867 -2.247 1.066 1.00 0.00 H new ATOM 0 HD13 ILE B 13 7.561 -0.571 1.580 1.00 0.00 H new ATOM 205 N ASN B 14 6.283 -1.577 6.586 1.00 0.00 N ATOM 206 CA ASN B 14 5.586 -2.186 7.704 1.00 0.00 C ATOM 207 C ASN B 14 4.380 -1.344 8.084 1.00 0.00 C ATOM 208 O ASN B 14 3.299 -1.871 8.352 1.00 0.00 O ATOM 209 CB ASN B 14 6.532 -2.336 8.902 1.00 0.00 C ATOM 210 CG ASN B 14 7.924 -2.810 8.513 1.00 0.00 C ATOM 211 OD1 ASN B 14 8.032 -3.543 7.412 1.00 0.00 O flip ATOM 212 ND2 ASN B 14 8.903 -2.514 9.196 1.00 0.00 N flip ATOM 0 H ASN B 14 7.183 -1.165 6.831 1.00 0.00 H new ATOM 0 HA ASN B 14 5.243 -3.178 7.409 1.00 0.00 H new ATOM 0 HB2 ASN B 14 6.612 -1.378 9.415 1.00 0.00 H new ATOM 0 HB3 ASN B 14 6.100 -3.042 9.611 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.786 -1.949 10.037 1.00 0.00 H new ATOM 0 HD22 ASN B 14 9.832 -2.834 8.921 1.00 0.00 H new ATOM 219 N SER B 15 4.565 -0.031 8.080 1.00 0.00 N ATOM 220 CA SER B 15 3.485 0.888 8.362 1.00 0.00 C ATOM 221 C SER B 15 2.407 0.818 7.284 1.00 0.00 C ATOM 222 O SER B 15 1.227 0.960 7.581 1.00 0.00 O ATOM 223 CB SER B 15 4.030 2.308 8.509 1.00 0.00 C ATOM 224 OG SER B 15 5.192 2.494 7.717 1.00 0.00 O ATOM 0 H SER B 15 5.460 0.418 7.883 1.00 0.00 H new ATOM 0 HA SER B 15 3.020 0.598 9.304 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.266 3.027 8.213 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.264 2.504 9.555 1.00 0.00 H new ATOM 0 HG SER B 15 5.068 2.060 6.847 1.00 0.00 H new ATOM 230 N VAL B 16 2.812 0.578 6.037 1.00 0.00 N ATOM 231 CA VAL B 16 1.854 0.395 4.946 1.00 0.00 C ATOM 232 C VAL B 16 1.000 -0.842 5.204 1.00 0.00 C ATOM 233 O VAL B 16 -0.218 -0.831 5.006 1.00 0.00 O ATOM 234 CB VAL B 16 2.555 0.233 3.579 1.00 0.00 C ATOM 235 CG1 VAL B 16 1.536 0.096 2.458 1.00 0.00 C ATOM 236 CG2 VAL B 16 3.491 1.395 3.305 1.00 0.00 C ATOM 0 H VAL B 16 3.790 0.506 5.758 1.00 0.00 H new ATOM 0 HA VAL B 16 1.233 1.290 4.912 1.00 0.00 H new ATOM 0 HB VAL B 16 3.148 -0.681 3.617 1.00 0.00 H new ATOM 0 HG11 VAL B 16 2.055 -0.017 1.506 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.913 -0.780 2.638 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.909 0.987 2.426 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.971 1.255 2.336 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.923 2.326 3.298 1.00 0.00 H new ATOM 0 HG23 VAL B 16 4.252 1.441 4.084 1.00 0.00 H new ATOM 246 N ASN B 17 1.661 -1.900 5.664 1.00 0.00 N ATOM 247 CA ASN B 17 1.002 -3.164 5.968 1.00 0.00 C ATOM 248 C ASN B 17 -0.033 -2.985 7.076 1.00 0.00 C ATOM 249 O ASN B 17 -1.136 -3.526 7.001 1.00 0.00 O ATOM 250 CB ASN B 17 2.050 -4.210 6.377 1.00 0.00 C ATOM 251 CG ASN B 17 1.463 -5.570 6.735 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.338 -5.926 6.135 1.00 0.00 O flip ATOM 253 ND2 ASN B 17 2.026 -6.302 7.549 1.00 0.00 N flip ATOM 0 H ASN B 17 2.666 -1.905 5.836 1.00 0.00 H new ATOM 0 HA ASN B 17 0.482 -3.510 5.075 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.760 -4.336 5.560 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.611 -3.832 7.231 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.892 -5.998 7.994 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.626 -7.212 7.778 1.00 0.00 H new ATOM 260 N ASP B 18 0.325 -2.218 8.096 1.00 0.00 N ATOM 261 CA ASP B 18 -0.577 -1.952 9.208 1.00 0.00 C ATOM 262 C ASP B 18 -1.680 -0.984 8.810 1.00 0.00 C ATOM 263 O ASP B 18 -2.835 -1.156 9.199 1.00 0.00 O ATOM 264 CB ASP B 18 0.194 -1.385 10.397 1.00 0.00 C ATOM 265 CG ASP B 18 0.150 -2.301 11.600 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.909 -2.369 12.264 1.00 0.00 O ATOM 267 OD2 ASP B 18 1.173 -2.958 11.889 1.00 0.00 O1- ATOM 0 H ASP B 18 1.237 -1.768 8.177 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.035 -2.900 9.491 1.00 0.00 H new ATOM 0 HB2 ASP B 18 1.232 -1.218 10.108 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.222 -0.414 10.667 1.00 0.00 H new ATOM 272 N LYS B 19 -1.307 0.034 8.046 1.00 0.00 N ATOM 273 CA LYS B 19 -2.206 1.077 7.612 1.00 0.00 C ATOM 274 C LYS B 19 -3.453 0.516 6.924 1.00 0.00 C ATOM 275 O LYS B 19 -4.547 0.552 7.482 1.00 0.00 O ATOM 276 CB LYS B 19 -1.416 1.951 6.659 1.00 0.00 C ATOM 277 CG LYS B 19 -1.858 3.376 6.595 1.00 0.00 C ATOM 278 CD LYS B 19 -3.222 3.517 5.947 1.00 0.00 C ATOM 279 CE LYS B 19 -3.519 4.955 5.596 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.495 5.846 6.787 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.352 0.154 7.708 1.00 0.00 H new ATOM 0 HA LYS B 19 -2.569 1.642 8.470 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -0.366 1.925 6.951 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.479 1.522 5.659 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.890 3.792 7.602 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.127 3.958 6.033 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -3.263 2.905 5.046 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -3.989 3.140 6.624 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -2.788 5.307 4.868 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.498 5.015 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.820 6.796 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.124 5.461 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.525 5.904 7.158 1.00 0.00 H new ATOM 294 N LEU B 20 -3.275 0.021 5.703 1.00 0.00 N ATOM 295 CA LEU B 20 -4.370 -0.543 4.910 1.00 0.00 C ATOM 296 C LEU B 20 -5.170 -1.611 5.659 1.00 0.00 C ATOM 297 O LEU B 20 -6.368 -1.777 5.419 1.00 0.00 O ATOM 298 CB LEU B 20 -3.821 -1.137 3.614 1.00 0.00 C ATOM 299 CG LEU B 20 -3.637 -0.147 2.466 1.00 0.00 C ATOM 300 CD1 LEU B 20 -2.979 -0.832 1.279 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.977 0.441 2.064 1.00 0.00 C ATOM 0 H LEU B 20 -2.370 -0.002 5.233 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.054 0.279 4.696 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.859 -1.603 3.827 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.493 -1.929 3.284 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.988 0.662 2.800 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.854 -0.114 0.468 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.004 -1.217 1.576 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.607 -1.656 0.941 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.834 1.146 1.245 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.644 -0.359 1.742 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.417 0.960 2.916 1.00 0.00 H new ATOM 313 N ASN B 21 -4.516 -2.321 6.565 1.00 0.00 N ATOM 314 CA ASN B 21 -5.154 -3.418 7.281 1.00 0.00 C ATOM 315 C ASN B 21 -5.931 -2.904 8.491 1.00 0.00 C ATOM 316 O ASN B 21 -5.498 -3.049 9.637 1.00 0.00 O ATOM 317 CB ASN B 21 -4.107 -4.439 7.727 1.00 0.00 C ATOM 318 CG ASN B 21 -4.721 -5.654 8.395 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.821 -6.087 8.046 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.015 -6.211 9.367 1.00 0.00 N ATOM 0 H ASN B 21 -3.543 -2.158 6.823 1.00 0.00 H new ATOM 0 HA ASN B 21 -5.857 -3.901 6.602 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.527 -4.760 6.862 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.412 -3.962 8.418 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.378 -7.029 9.857 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.108 -5.822 9.626 1.00 0.00 H new ATOM 327 N LYS B 22 -7.073 -2.287 8.227 1.00 0.00 N ATOM 328 CA LYS B 22 -7.947 -1.804 9.292 1.00 0.00 C ATOM 329 C LYS B 22 -9.403 -2.199 9.035 1.00 0.00 C ATOM 330 O LYS B 22 -9.901 -3.171 9.605 1.00 0.00 O ATOM 331 CB LYS B 22 -7.834 -0.283 9.456 1.00 0.00 C ATOM 332 CG LYS B 22 -6.469 0.183 9.942 1.00 0.00 C ATOM 333 CD LYS B 22 -6.438 1.683 10.199 1.00 0.00 C ATOM 334 CE LYS B 22 -7.235 2.069 11.438 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.665 1.472 12.676 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.419 -2.108 7.284 1.00 0.00 H new ATOM 0 HA LYS B 22 -7.620 -2.276 10.219 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.051 0.193 8.500 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.595 0.055 10.160 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.210 -0.347 10.858 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.713 -0.074 9.200 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.405 2.009 10.317 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.840 2.207 9.332 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.253 3.155 11.534 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.268 1.743 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -7.027 1.983 13.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.941 0.471 12.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -5.628 1.544 12.650 1.00 0.00 H new ATOM 349 N GLY B 23 -10.075 -1.455 8.163 1.00 0.00 N ATOM 350 CA GLY B 23 -11.485 -1.700 7.917 1.00 0.00 C ATOM 351 C GLY B 23 -11.842 -1.663 6.449 1.00 0.00 C ATOM 352 O GLY B 23 -12.920 -1.198 6.073 1.00 0.00 O ATOM 0 H GLY B 23 -9.671 -0.689 7.624 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.756 -2.673 8.327 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.076 -0.954 8.448 1.00 0.00 H new ATOM 356 N LYS B 24 -10.927 -2.125 5.611 1.00 0.00 N ATOM 357 CA LYS B 24 -11.207 -2.271 4.196 1.00 0.00 C ATOM 358 C LYS B 24 -10.974 -3.709 3.797 1.00 0.00 C ATOM 359 O LYS B 24 -10.761 -4.562 4.658 1.00 0.00 O ATOM 360 CB LYS B 24 -10.326 -1.375 3.319 1.00 0.00 C ATOM 361 CG LYS B 24 -9.524 -0.324 4.070 1.00 0.00 C ATOM 362 CD LYS B 24 -10.399 0.828 4.543 1.00 0.00 C ATOM 363 CE LYS B 24 -9.611 1.825 5.383 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.464 2.416 4.639 1.00 0.00 N1+ ATOM 0 H LYS B 24 -9.986 -2.404 5.888 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.243 -1.971 4.039 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.635 -2.006 2.761 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.960 -0.872 2.588 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -9.036 -0.785 4.929 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -8.735 0.061 3.424 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -10.828 1.338 3.680 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.231 0.437 5.128 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -10.276 2.623 5.713 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.241 1.328 6.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -8.065 3.205 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -7.733 1.690 4.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -8.792 2.766 3.716 1.00 0.00 H new ATOM 378 N GLY B 25 -10.968 -3.954 2.495 1.00 0.00 N ATOM 379 CA GLY B 25 -10.780 -5.300 1.990 1.00 0.00 C ATOM 380 C GLY B 25 -9.520 -5.930 2.539 1.00 0.00 C ATOM 381 O GLY B 25 -8.476 -5.280 2.620 1.00 0.00 O ATOM 0 H GLY B 25 -11.091 -3.241 1.775 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -11.640 -5.913 2.258 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -10.731 -5.277 0.901 1.00 0.00 H new ATOM 385 N LYS B 26 -9.620 -7.191 2.922 1.00 0.00 N ATOM 386 CA LYS B 26 -8.550 -7.850 3.640 1.00 0.00 C ATOM 387 C LYS B 26 -7.576 -8.446 2.670 1.00 0.00 C ATOM 388 O LYS B 26 -7.897 -9.373 1.927 1.00 0.00 O ATOM 389 CB LYS B 26 -9.076 -8.933 4.584 1.00 0.00 C ATOM 390 CG LYS B 26 -10.584 -9.022 4.631 1.00 0.00 C ATOM 391 CD LYS B 26 -11.145 -9.964 3.573 1.00 0.00 C ATOM 392 CE LYS B 26 -11.112 -11.427 4.014 1.00 0.00 C ATOM 393 NZ LYS B 26 -9.731 -11.952 4.188 1.00 0.00 N1+ ATOM 0 H LYS B 26 -10.435 -7.778 2.746 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.049 -7.098 4.249 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -8.674 -9.898 4.275 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -8.701 -8.739 5.589 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.894 -9.364 5.619 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.008 -8.028 4.490 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.172 -9.680 3.346 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.573 -9.853 2.652 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.655 -11.529 4.954 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.635 -12.035 3.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.750 -12.992 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -9.127 -11.601 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.350 -11.631 5.101 1.00 0.00 H new ATOM 407 N LEU B 27 -6.402 -7.880 2.659 1.00 0.00 N ATOM 408 CA LEU B 27 -5.347 -8.356 1.824 1.00 0.00 C ATOM 409 C LEU B 27 -4.047 -8.443 2.614 1.00 0.00 C ATOM 410 O LEU B 27 -3.776 -7.629 3.499 1.00 0.00 O ATOM 411 CB LEU B 27 -5.242 -7.497 0.557 1.00 0.00 C ATOM 412 CG LEU B 27 -4.601 -6.107 0.644 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.992 -5.329 1.894 1.00 0.00 C ATOM 414 CD2 LEU B 27 -3.096 -6.201 0.491 1.00 0.00 C ATOM 0 H LEU B 27 -6.154 -7.074 3.232 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.568 -9.369 1.488 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -4.682 -8.070 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.250 -7.369 0.164 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.001 -5.531 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.500 -4.356 1.886 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -6.073 -5.189 1.912 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.683 -5.884 2.780 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.661 -5.204 0.556 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.688 -6.827 1.284 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -2.855 -6.640 -0.477 1.00 0.00 H new ATOM 426 N SER B 28 -3.272 -9.456 2.311 1.00 0.00 N ATOM 427 CA SER B 28 -2.076 -9.761 3.069 1.00 0.00 C ATOM 428 C SER B 28 -0.834 -9.332 2.314 1.00 0.00 C ATOM 429 O SER B 28 -0.509 -9.903 1.274 1.00 0.00 O ATOM 430 CB SER B 28 -2.015 -11.260 3.353 1.00 0.00 C ATOM 431 OG SER B 28 -3.154 -11.685 4.087 1.00 0.00 O ATOM 0 H SER B 28 -3.449 -10.093 1.534 1.00 0.00 H new ATOM 0 HA SER B 28 -2.114 -9.212 4.010 1.00 0.00 H new ATOM 0 HB2 SER B 28 -1.957 -11.810 2.414 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.109 -11.491 3.914 1.00 0.00 H new ATOM 0 HG SER B 28 -3.094 -12.649 4.256 1.00 0.00 H new ATOM 437 N LEU B 29 -0.152 -8.319 2.825 1.00 0.00 N ATOM 438 CA LEU B 29 1.094 -7.888 2.228 1.00 0.00 C ATOM 439 C LEU B 29 2.210 -8.837 2.619 1.00 0.00 C ATOM 440 O LEU B 29 2.171 -9.482 3.668 1.00 0.00 O ATOM 441 CB LEU B 29 1.492 -6.466 2.648 1.00 0.00 C ATOM 442 CG LEU B 29 0.601 -5.319 2.163 1.00 0.00 C ATOM 443 CD1 LEU B 29 0.369 -5.404 0.664 1.00 0.00 C ATOM 444 CD2 LEU B 29 -0.708 -5.303 2.916 1.00 0.00 C ATOM 0 H LEU B 29 -0.440 -7.786 3.645 1.00 0.00 H new ATOM 0 HA LEU B 29 0.940 -7.891 1.149 1.00 0.00 H new ATOM 0 HB2 LEU B 29 1.524 -6.432 3.737 1.00 0.00 H new ATOM 0 HB3 LEU B 29 2.506 -6.280 2.293 1.00 0.00 H new ATOM 0 HG LEU B 29 1.118 -4.381 2.365 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.267 -4.577 0.347 1.00 0.00 H new ATOM 0 HD12 LEU B 29 1.325 -5.347 0.144 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -0.118 -6.349 0.424 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.325 -4.480 2.555 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.231 -6.246 2.757 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.514 -5.171 3.980 1.00 0.00 H new ATOM 456 N SER B 30 3.194 -8.911 1.763 1.00 0.00 N ATOM 457 CA SER B 30 4.387 -9.681 2.005 1.00 0.00 C ATOM 458 C SER B 30 5.564 -8.938 1.401 1.00 0.00 C ATOM 459 O SER B 30 5.427 -8.287 0.361 1.00 0.00 O ATOM 460 CB SER B 30 4.248 -11.080 1.421 1.00 0.00 C ATOM 461 OG SER B 30 3.353 -11.086 0.323 1.00 0.00 O ATOM 0 H SER B 30 3.190 -8.431 0.863 1.00 0.00 H new ATOM 0 HA SER B 30 4.549 -9.800 3.076 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.225 -11.443 1.100 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.890 -11.765 2.190 1.00 0.00 H new ATOM 0 HG SER B 30 3.282 -11.995 -0.036 1.00 0.00 H new ATOM 467 N MET B 31 6.708 -9.030 2.042 1.00 0.00 N ATOM 468 CA MET B 31 7.805 -8.125 1.748 1.00 0.00 C ATOM 469 C MET B 31 8.978 -8.847 1.110 1.00 0.00 C ATOM 470 O MET B 31 9.389 -9.916 1.563 1.00 0.00 O ATOM 471 CB MET B 31 8.247 -7.431 3.039 1.00 0.00 C ATOM 472 CG MET B 31 7.083 -6.830 3.808 1.00 0.00 C ATOM 473 SD MET B 31 7.560 -6.138 5.400 1.00 0.00 S ATOM 474 CE MET B 31 5.945 -5.756 6.073 1.00 0.00 C ATOM 0 H MET B 31 6.906 -9.718 2.768 1.00 0.00 H new ATOM 0 HA MET B 31 7.454 -7.384 1.030 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.765 -8.150 3.674 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.963 -6.645 2.798 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.623 -6.048 3.204 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.326 -7.598 3.966 1.00 0.00 H new ATOM 0 HE1 MET B 31 5.981 -5.816 7.161 1.00 0.00 H new ATOM 0 HE2 MET B 31 5.655 -4.749 5.774 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.215 -6.471 5.694 1.00 0.00 H new ATOM 484 N ASN B 32 9.493 -8.263 0.040 1.00 0.00 N ATOM 485 CA ASN B 32 10.705 -8.754 -0.591 1.00 0.00 C ATOM 486 C ASN B 32 11.486 -7.569 -1.149 1.00 0.00 C ATOM 487 O ASN B 32 11.754 -7.495 -2.347 1.00 0.00 O ATOM 488 CB ASN B 32 10.361 -9.754 -1.704 1.00 0.00 C ATOM 489 CG ASN B 32 11.549 -10.605 -2.125 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.768 -11.688 -1.581 1.00 0.00 O ATOM 491 ND2 ASN B 32 12.322 -10.123 -3.086 1.00 0.00 N ATOM 0 H ASN B 32 9.087 -7.443 -0.411 1.00 0.00 H new ATOM 0 HA ASN B 32 11.318 -9.274 0.145 1.00 0.00 H new ATOM 0 HB2 ASN B 32 9.556 -10.406 -1.364 1.00 0.00 H new ATOM 0 HB3 ASN B 32 9.985 -9.210 -2.571 1.00 0.00 H new ATOM 0 HD21 ASN B 32 13.134 -10.653 -3.402 1.00 0.00 H new ATOM 0 HD22 ASN B 32 12.105 -9.221 -3.511 1.00 0.00 H new ATOM 498 N GLY B 33 11.845 -6.653 -0.248 1.00 0.00 N ATOM 499 CA GLY B 33 12.577 -5.442 -0.604 1.00 0.00 C ATOM 500 C GLY B 33 12.001 -4.705 -1.793 1.00 0.00 C ATOM 501 O GLY B 33 11.023 -3.970 -1.670 1.00 0.00 O ATOM 0 H GLY B 33 11.636 -6.732 0.747 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.590 -4.771 0.255 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.613 -5.705 -0.819 1.00 0.00 H new ATOM 505 N ASN B 34 12.616 -4.919 -2.947 1.00 0.00 N ATOM 506 CA ASN B 34 12.235 -4.240 -4.173 1.00 0.00 C ATOM 507 C ASN B 34 11.062 -4.936 -4.856 1.00 0.00 C ATOM 508 O ASN B 34 10.816 -4.724 -6.043 1.00 0.00 O ATOM 509 CB ASN B 34 13.431 -4.159 -5.129 1.00 0.00 C ATOM 510 CG ASN B 34 13.916 -5.520 -5.595 1.00 0.00 C ATOM 511 OD1 ASN B 34 13.497 -6.027 -6.638 1.00 0.00 O ATOM 512 ND2 ASN B 34 14.807 -6.127 -4.830 1.00 0.00 N ATOM 0 H ASN B 34 13.394 -5.569 -3.058 1.00 0.00 H new ATOM 0 HA ASN B 34 11.918 -3.231 -3.910 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.154 -3.562 -5.998 1.00 0.00 H new ATOM 0 HB3 ASN B 34 14.250 -3.639 -4.633 1.00 0.00 H new ATOM 0 HD21 ASN B 34 15.169 -7.043 -5.097 1.00 0.00 H new ATOM 0 HD22 ASN B 34 15.133 -5.680 -3.973 1.00 0.00 H new ATOM 519 N GLN B 35 10.364 -5.789 -4.120 1.00 0.00 N ATOM 520 CA GLN B 35 9.131 -6.374 -4.601 1.00 0.00 C ATOM 521 C GLN B 35 8.063 -6.333 -3.527 1.00 0.00 C ATOM 522 O GLN B 35 8.345 -6.477 -2.334 1.00 0.00 O ATOM 523 CB GLN B 35 9.339 -7.815 -5.046 1.00 0.00 C ATOM 524 CG GLN B 35 10.437 -7.961 -6.073 1.00 0.00 C ATOM 525 CD GLN B 35 10.591 -9.379 -6.589 1.00 0.00 C ATOM 526 OE1 GLN B 35 10.292 -10.356 -5.747 1.00 0.00 O flip ATOM 527 NE2 GLN B 35 10.988 -9.595 -7.733 1.00 0.00 N flip ATOM 0 H GLN B 35 10.636 -6.089 -3.184 1.00 0.00 H new ATOM 0 HA GLN B 35 8.806 -5.784 -5.458 1.00 0.00 H new ATOM 0 HB2 GLN B 35 9.578 -8.427 -4.177 1.00 0.00 H new ATOM 0 HB3 GLN B 35 8.407 -8.200 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN B 35 10.231 -7.297 -6.912 1.00 0.00 H new ATOM 0 HG3 GLN B 35 11.381 -7.637 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN B 35 11.208 -8.815 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN B 35 11.097 -10.554 -8.062 1.00 0.00 H new ATOM 536 N LEU B 36 6.841 -6.166 -3.973 1.00 0.00 N ATOM 537 CA LEU B 36 5.692 -6.137 -3.084 1.00 0.00 C ATOM 538 C LEU B 36 4.726 -7.221 -3.510 1.00 0.00 C ATOM 539 O LEU B 36 4.358 -7.324 -4.684 1.00 0.00 O ATOM 540 CB LEU B 36 5.015 -4.758 -3.098 1.00 0.00 C ATOM 541 CG LEU B 36 3.920 -4.511 -2.040 1.00 0.00 C ATOM 542 CD1 LEU B 36 2.590 -5.113 -2.474 1.00 0.00 C ATOM 543 CD2 LEU B 36 4.333 -5.065 -0.682 1.00 0.00 C ATOM 0 H LEU B 36 6.610 -6.046 -4.959 1.00 0.00 H new ATOM 0 HA LEU B 36 6.019 -6.320 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.787 -3.999 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.576 -4.605 -4.084 1.00 0.00 H new ATOM 0 HG LEU B 36 3.794 -3.432 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.838 -4.923 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.274 -4.659 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.705 -6.188 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU B 36 3.542 -4.876 0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 36 4.502 -6.139 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU B 36 5.251 -4.577 -0.354 1.00 0.00 H new ATOM 555 N LYS B 37 4.340 -8.040 -2.557 1.00 0.00 N ATOM 556 CA LYS B 37 3.509 -9.194 -2.829 1.00 0.00 C ATOM 557 C LYS B 37 2.286 -9.144 -1.923 1.00 0.00 C ATOM 558 O LYS B 37 2.378 -8.660 -0.795 1.00 0.00 O ATOM 559 CB LYS B 37 4.325 -10.466 -2.579 1.00 0.00 C ATOM 560 CG LYS B 37 5.811 -10.288 -2.882 1.00 0.00 C ATOM 561 CD LYS B 37 6.623 -11.545 -2.629 1.00 0.00 C ATOM 562 CE LYS B 37 6.564 -11.980 -1.173 1.00 0.00 C ATOM 563 NZ LYS B 37 7.301 -13.250 -0.944 1.00 0.00 N1+ ATOM 0 H LYS B 37 4.592 -7.927 -1.575 1.00 0.00 H new ATOM 0 HA LYS B 37 3.176 -9.193 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS B 37 4.205 -10.770 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.928 -11.273 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.930 -9.989 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS B 37 6.206 -9.477 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS B 37 6.251 -12.350 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS B 37 7.661 -11.369 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS B 37 6.985 -11.197 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.523 -12.105 -0.873 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 7.237 -13.512 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.883 -14.004 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 8.300 -13.124 -1.206 1.00 0.00 H new ATOM 577 N ALA B 38 1.148 -9.625 -2.404 1.00 0.00 N ATOM 578 CA ALA B 38 -0.085 -9.537 -1.632 1.00 0.00 C ATOM 579 C ALA B 38 -1.149 -10.509 -2.127 1.00 0.00 C ATOM 580 O ALA B 38 -1.185 -10.862 -3.306 1.00 0.00 O ATOM 581 CB ALA B 38 -0.628 -8.117 -1.672 1.00 0.00 C ATOM 0 H ALA B 38 1.052 -10.075 -3.314 1.00 0.00 H new ATOM 0 HA ALA B 38 0.159 -9.811 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.549 -8.063 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.108 -7.434 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -0.833 -7.835 -2.705 1.00 0.00 H new ATOM 587 N THR B 39 -2.007 -10.931 -1.207 1.00 0.00 N ATOM 588 CA THR B 39 -3.154 -11.763 -1.518 1.00 0.00 C ATOM 589 C THR B 39 -4.394 -11.095 -0.947 1.00 0.00 C ATOM 590 O THR B 39 -4.325 -10.522 0.132 1.00 0.00 O ATOM 591 CB THR B 39 -2.986 -13.162 -0.911 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.518 -13.050 0.439 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.011 -13.999 -1.724 1.00 0.00 C ATOM 0 H THR B 39 -1.922 -10.702 -0.217 1.00 0.00 H new ATOM 0 HA THR B 39 -3.246 -11.874 -2.598 1.00 0.00 H new ATOM 0 HB THR B 39 -3.956 -13.659 -0.924 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.413 -13.945 0.824 1.00 0.00 H new ATOM 0 HG21 THR B 39 -1.912 -14.985 -1.270 1.00 0.00 H new ATOM 0 HG22 THR B 39 -2.384 -14.104 -2.743 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.038 -13.508 -1.742 1.00 0.00 H new ATOM 601 N SER B 40 -5.518 -11.147 -1.635 1.00 0.00 N ATOM 602 CA SER B 40 -6.638 -10.301 -1.247 1.00 0.00 C ATOM 603 C SER B 40 -7.983 -11.019 -1.270 1.00 0.00 C ATOM 604 O SER B 40 -8.200 -11.952 -2.047 1.00 0.00 O ATOM 605 CB SER B 40 -6.682 -9.079 -2.162 1.00 0.00 C ATOM 606 OG SER B 40 -6.750 -9.465 -3.527 1.00 0.00 O ATOM 0 H SER B 40 -5.682 -11.747 -2.444 1.00 0.00 H new ATOM 0 HA SER B 40 -6.471 -10.005 -0.211 1.00 0.00 H new ATOM 0 HB2 SER B 40 -7.546 -8.464 -1.911 1.00 0.00 H new ATOM 0 HB3 SER B 40 -5.796 -8.466 -1.998 1.00 0.00 H new ATOM 0 HG SER B 40 -7.129 -8.732 -4.056 1.00 0.00 H new ATOM 612 N SER B 41 -8.877 -10.567 -0.399 1.00 0.00 N ATOM 613 CA SER B 41 -10.259 -11.009 -0.398 1.00 0.00 C ATOM 614 C SER B 41 -11.157 -9.806 -0.131 1.00 0.00 C ATOM 615 O SER B 41 -10.735 -8.835 0.506 1.00 0.00 O ATOM 616 CB SER B 41 -10.483 -12.085 0.656 1.00 0.00 C ATOM 617 OG SER B 41 -11.786 -12.633 0.567 1.00 0.00 O ATOM 0 H SER B 41 -8.660 -9.883 0.326 1.00 0.00 H new ATOM 0 HA SER B 41 -10.501 -11.442 -1.368 1.00 0.00 H new ATOM 0 HB2 SER B 41 -9.744 -12.877 0.532 1.00 0.00 H new ATOM 0 HB3 SER B 41 -10.332 -11.661 1.649 1.00 0.00 H new ATOM 0 HG SER B 41 -11.899 -13.322 1.255 1.00 0.00 H new ATOM 623 N ASN B 42 -12.387 -9.867 -0.607 1.00 0.00 N ATOM 624 CA ASN B 42 -13.258 -8.703 -0.594 1.00 0.00 C ATOM 625 C ASN B 42 -14.471 -8.894 0.302 1.00 0.00 C ATOM 626 O ASN B 42 -15.389 -8.074 0.285 1.00 0.00 O ATOM 627 CB ASN B 42 -13.703 -8.343 -2.014 1.00 0.00 C ATOM 628 CG ASN B 42 -12.544 -7.923 -2.896 1.00 0.00 C ATOM 629 OD1 ASN B 42 -12.178 -6.748 -2.947 1.00 0.00 O ATOM 630 ND2 ASN B 42 -11.956 -8.884 -3.594 1.00 0.00 N ATOM 0 H ASN B 42 -12.806 -10.707 -1.007 1.00 0.00 H new ATOM 0 HA ASN B 42 -12.675 -7.880 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -14.205 -9.200 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -14.433 -7.535 -1.969 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -11.168 -8.663 -4.203 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -12.291 -9.845 -3.522 1.00 0.00 H new ATOM 637 N ALA B 43 -14.478 -9.969 1.077 1.00 0.00 N ATOM 638 CA ALA B 43 -15.573 -10.227 2.007 1.00 0.00 C ATOM 639 C ALA B 43 -15.715 -9.081 2.989 1.00 0.00 C ATOM 640 O ALA B 43 -16.749 -8.415 3.065 1.00 0.00 O ATOM 641 CB ALA B 43 -15.342 -11.529 2.753 1.00 0.00 C ATOM 0 H ALA B 43 -13.742 -10.675 1.082 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.496 -10.313 1.434 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -16.168 -11.705 3.442 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -15.282 -12.351 2.040 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -14.409 -11.467 3.314 1.00 0.00 H new ATOM 647 N GLY B 44 -14.653 -8.856 3.721 1.00 0.00 N ATOM 648 CA GLY B 44 -14.588 -7.734 4.629 1.00 0.00 C ATOM 649 C GLY B 44 -13.988 -6.529 3.952 1.00 0.00 C ATOM 650 O GLY B 44 -12.929 -6.058 4.341 1.00 0.00 O ATOM 0 H GLY B 44 -13.815 -9.438 3.707 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -15.588 -7.494 4.989 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -13.991 -8.001 5.501 1.00 0.00 H new ATOM 654 N TYR B 45 -14.654 -6.070 2.905 1.00 0.00 N ATOM 655 CA TYR B 45 -14.198 -4.921 2.124 1.00 0.00 C ATOM 656 C TYR B 45 -14.322 -3.601 2.898 1.00 0.00 C ATOM 657 O TYR B 45 -14.423 -3.595 4.122 1.00 0.00 O ATOM 658 CB TYR B 45 -14.980 -4.839 0.808 1.00 0.00 C ATOM 659 CG TYR B 45 -16.427 -4.359 0.952 1.00 0.00 C ATOM 660 CD1 TYR B 45 -17.156 -4.582 2.119 1.00 0.00 C ATOM 661 CD2 TYR B 45 -17.052 -3.659 -0.075 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.451 -4.130 2.253 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.349 -3.200 0.056 1.00 0.00 C ATOM 664 CZ TYR B 45 -19.043 -3.440 1.222 1.00 0.00 C ATOM 665 OH TYR B 45 -20.336 -2.987 1.359 1.00 0.00 O ATOM 0 H TYR B 45 -15.526 -6.480 2.569 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.139 -5.071 1.913 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.454 -4.167 0.130 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.983 -5.824 0.341 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -16.697 -5.120 2.935 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.513 -3.471 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.999 -4.317 3.165 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.816 -2.656 -0.751 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.607 -2.518 0.542 1.00 0.00 H new ATOM 675 N GLY B 46 -14.292 -2.486 2.171 1.00 0.00 N ATOM 676 CA GLY B 46 -14.467 -1.186 2.782 1.00 0.00 C ATOM 677 C GLY B 46 -15.823 -1.038 3.433 1.00 0.00 C ATOM 678 O GLY B 46 -16.842 -0.929 2.750 1.00 0.00 O ATOM 0 H GLY B 46 -14.148 -2.465 1.161 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.689 -1.030 3.529 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.343 -0.411 2.025 1.00 0.00 H new ATOM 682 N ILE B 47 -15.835 -1.050 4.754 1.00 0.00 N ATOM 683 CA ILE B 47 -17.072 -0.931 5.504 1.00 0.00 C ATOM 684 C ILE B 47 -17.421 0.523 5.686 1.00 0.00 C ATOM 685 O ILE B 47 -18.374 1.049 5.108 1.00 0.00 O ATOM 686 CB ILE B 47 -16.946 -1.535 6.913 1.00 0.00 C ATOM 687 CG1 ILE B 47 -16.324 -2.934 6.867 1.00 0.00 C ATOM 688 CG2 ILE B 47 -18.306 -1.557 7.594 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.998 -3.878 5.897 1.00 0.00 C ATOM 0 H ILE B 47 -14.999 -1.141 5.331 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.836 -1.465 4.938 1.00 0.00 H new ATOM 0 HB ILE B 47 -16.276 -0.906 7.499 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -15.272 -2.843 6.597 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -16.361 -3.369 7.866 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -18.207 -1.986 8.591 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -18.690 -0.540 7.673 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -18.998 -2.161 7.006 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.498 -4.846 5.925 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -18.044 -4.002 6.177 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.938 -3.468 4.889 1.00 0.00 H new ATOM 701 N SER B 48 -16.615 1.159 6.502 1.00 0.00 N ATOM 702 CA SER B 48 -16.819 2.529 6.864 1.00 0.00 C ATOM 703 C SER B 48 -15.821 3.400 6.123 1.00 0.00 C ATOM 704 O SER B 48 -15.345 3.031 5.048 1.00 0.00 O ATOM 705 CB SER B 48 -16.650 2.666 8.377 1.00 0.00 C ATOM 706 OG SER B 48 -17.373 1.650 9.055 1.00 0.00 O ATOM 0 H SER B 48 -15.795 0.732 6.933 1.00 0.00 H new ATOM 0 HA SER B 48 -17.823 2.853 6.590 1.00 0.00 H new ATOM 0 HB2 SER B 48 -15.593 2.603 8.637 1.00 0.00 H new ATOM 0 HB3 SER B 48 -17.000 3.646 8.700 1.00 0.00 H new ATOM 0 HG SER B 48 -17.252 1.752 10.022 1.00 0.00 H new ATOM 712 N TYR B 49 -15.517 4.542 6.716 1.00 0.00 N ATOM 713 CA TYR B 49 -14.578 5.531 6.164 1.00 0.00 C ATOM 714 C TYR B 49 -15.113 6.199 4.889 1.00 0.00 C ATOM 715 O TYR B 49 -14.574 7.214 4.445 1.00 0.00 O ATOM 716 CB TYR B 49 -13.226 4.885 5.867 1.00 0.00 C ATOM 717 CG TYR B 49 -12.591 4.171 7.041 1.00 0.00 C ATOM 718 CD1 TYR B 49 -11.841 4.860 7.984 1.00 0.00 C ATOM 719 CD2 TYR B 49 -12.736 2.798 7.195 1.00 0.00 C ATOM 720 CE1 TYR B 49 -11.254 4.200 9.047 1.00 0.00 C ATOM 721 CE2 TYR B 49 -12.154 2.133 8.252 1.00 0.00 C ATOM 722 CZ TYR B 49 -11.414 2.836 9.176 1.00 0.00 C ATOM 723 OH TYR B 49 -10.826 2.173 10.227 1.00 0.00 O ATOM 0 H TYR B 49 -15.918 4.822 7.611 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.459 6.303 6.924 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.351 4.173 5.051 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.541 5.656 5.515 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -11.714 5.928 7.886 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -13.315 2.242 6.473 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -10.673 4.749 9.773 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -12.278 1.065 8.355 1.00 0.00 H new ATOM 0 HH TYR B 49 -11.038 1.218 10.171 1.00 0.00 H new ATOM 733 N GLU B 50 -16.181 5.628 4.333 1.00 0.00 N ATOM 734 CA GLU B 50 -16.772 6.065 3.076 1.00 0.00 C ATOM 735 C GLU B 50 -15.729 6.212 1.976 1.00 0.00 C ATOM 736 O GLU B 50 -15.228 5.223 1.446 1.00 0.00 O ATOM 737 CB GLU B 50 -17.520 7.370 3.278 1.00 0.00 C ATOM 738 CG GLU B 50 -18.702 7.252 4.212 1.00 0.00 C ATOM 739 CD GLU B 50 -19.555 8.498 4.226 1.00 0.00 C ATOM 740 OE1 GLU B 50 -19.169 9.487 4.885 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -20.612 8.500 3.564 1.00 0.00 O ATOM 0 H GLU B 50 -16.666 4.835 4.754 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.473 5.295 2.754 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.830 8.117 3.671 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.867 7.734 2.311 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -19.313 6.400 3.913 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -18.344 7.049 5.221 1.00 0.00 H new ATOM 748 N ASP B 51 -15.387 7.449 1.658 1.00 0.00 N ATOM 749 CA ASP B 51 -14.417 7.721 0.607 1.00 0.00 C ATOM 750 C ASP B 51 -13.343 8.675 1.090 1.00 0.00 C ATOM 751 O ASP B 51 -13.608 9.854 1.335 1.00 0.00 O ATOM 752 CB ASP B 51 -15.087 8.314 -0.637 1.00 0.00 C ATOM 753 CG ASP B 51 -15.843 7.290 -1.458 1.00 0.00 C ATOM 754 OD1 ASP B 51 -15.195 6.407 -2.056 1.00 0.00 O ATOM 755 OD2 ASP B 51 -17.089 7.383 -1.533 1.00 0.00 O1- ATOM 0 H ASP B 51 -15.765 8.281 2.111 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.962 6.766 0.344 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.775 9.102 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -14.326 8.781 -1.263 1.00 0.00 H new ATOM 760 N LYS B 52 -12.137 8.162 1.240 1.00 0.00 N ATOM 761 CA LYS B 52 -10.979 8.996 1.495 1.00 0.00 C ATOM 762 C LYS B 52 -10.000 8.824 0.348 1.00 0.00 C ATOM 763 O LYS B 52 -9.772 7.698 -0.109 1.00 0.00 O ATOM 764 CB LYS B 52 -10.303 8.621 2.811 1.00 0.00 C ATOM 765 CG LYS B 52 -11.228 8.661 4.017 1.00 0.00 C ATOM 766 CD LYS B 52 -10.520 8.174 5.272 1.00 0.00 C ATOM 767 CE LYS B 52 -11.442 8.195 6.481 1.00 0.00 C ATOM 768 NZ LYS B 52 -11.844 9.577 6.853 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.933 7.164 1.189 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.300 10.035 1.572 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.885 7.618 2.720 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.468 9.300 2.984 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.586 9.679 4.170 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.104 8.041 3.827 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.152 7.160 5.112 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -9.650 8.802 5.466 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.333 7.604 6.268 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -10.941 7.723 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -12.328 9.562 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -10.998 10.179 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -12.487 9.958 6.130 1.00 0.00 H new ATOM 782 N ASN B 53 -9.462 9.931 -0.143 1.00 0.00 N ATOM 783 CA ASN B 53 -8.535 9.896 -1.262 1.00 0.00 C ATOM 784 C ASN B 53 -7.115 9.959 -0.748 1.00 0.00 C ATOM 785 O ASN B 53 -6.675 10.999 -0.247 1.00 0.00 O ATOM 786 CB ASN B 53 -8.735 11.082 -2.207 1.00 0.00 C ATOM 787 CG ASN B 53 -10.188 11.417 -2.494 1.00 0.00 C ATOM 788 OD1 ASN B 53 -11.046 10.544 -2.545 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.473 12.694 -2.685 1.00 0.00 N ATOM 0 H ASN B 53 -9.653 10.866 0.218 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.723 8.969 -1.804 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.251 11.959 -1.777 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -8.231 10.869 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.433 12.978 -2.882 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -9.733 13.395 -2.635 1.00 0.00 H new ATOM 796 N TRP B 54 -6.389 8.871 -0.876 1.00 0.00 N ATOM 797 CA TRP B 54 -5.010 8.853 -0.461 1.00 0.00 C ATOM 798 C TRP B 54 -4.207 7.885 -1.323 1.00 0.00 C ATOM 799 O TRP B 54 -4.781 7.117 -2.098 1.00 0.00 O ATOM 800 CB TRP B 54 -4.903 8.541 1.033 1.00 0.00 C ATOM 801 CG TRP B 54 -5.204 7.136 1.431 1.00 0.00 C ATOM 802 CD1 TRP B 54 -6.430 6.573 1.631 1.00 0.00 C ATOM 803 CD2 TRP B 54 -4.239 6.131 1.720 1.00 0.00 C ATOM 804 NE1 TRP B 54 -6.283 5.262 2.019 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.943 4.966 2.081 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.841 6.105 1.698 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -4.288 3.784 2.422 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -2.197 4.933 2.036 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.918 3.786 2.392 1.00 0.00 C ATOM 0 H TRP B 54 -6.732 7.992 -1.263 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.578 9.843 -0.608 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.893 8.782 1.363 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.581 9.203 1.572 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -7.375 7.081 1.504 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -7.044 4.615 2.227 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -2.277 6.984 1.422 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -4.840 2.898 2.700 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -1.118 4.899 2.026 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -2.383 2.884 2.648 1.00 0.00 H new ATOM 820 N GLY B 55 -2.887 7.947 -1.213 1.00 0.00 N ATOM 821 CA GLY B 55 -2.041 7.185 -2.106 1.00 0.00 C ATOM 822 C GLY B 55 -0.829 6.586 -1.422 1.00 0.00 C ATOM 823 O GLY B 55 -0.399 7.061 -0.368 1.00 0.00 O ATOM 0 H GLY B 55 -2.389 8.510 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.628 6.384 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.708 7.831 -2.919 1.00 0.00 H new ATOM 827 N ILE B 56 -0.291 5.526 -2.016 1.00 0.00 N ATOM 828 CA ILE B 56 0.978 4.960 -1.584 1.00 0.00 C ATOM 829 C ILE B 56 2.050 5.268 -2.626 1.00 0.00 C ATOM 830 O ILE B 56 1.752 5.345 -3.824 1.00 0.00 O ATOM 831 CB ILE B 56 0.867 3.440 -1.388 1.00 0.00 C ATOM 832 CG1 ILE B 56 -0.353 3.122 -0.529 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.130 2.898 -0.734 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.797 1.688 -0.630 1.00 0.00 C ATOM 0 H ILE B 56 -0.719 5.040 -2.804 1.00 0.00 H new ATOM 0 HA ILE B 56 1.250 5.407 -0.628 1.00 0.00 H new ATOM 0 HB ILE B 56 0.752 2.962 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE B 56 -0.125 3.352 0.512 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -1.177 3.771 -0.826 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.037 1.820 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.989 3.113 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.269 3.372 0.237 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.668 1.531 0.006 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.056 1.459 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.011 1.033 -0.305 1.00 0.00 H new ATOM 846 N PHE B 57 3.288 5.445 -2.179 1.00 0.00 N ATOM 847 CA PHE B 57 4.336 5.964 -3.046 1.00 0.00 C ATOM 848 C PHE B 57 5.598 5.113 -2.994 1.00 0.00 C ATOM 849 O PHE B 57 5.991 4.648 -1.926 1.00 0.00 O ATOM 850 CB PHE B 57 4.642 7.410 -2.654 1.00 0.00 C ATOM 851 CG PHE B 57 3.394 8.239 -2.681 1.00 0.00 C ATOM 852 CD1 PHE B 57 2.971 8.803 -3.865 1.00 0.00 C ATOM 853 CD2 PHE B 57 2.606 8.389 -1.551 1.00 0.00 C ATOM 854 CE1 PHE B 57 1.793 9.514 -3.926 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.416 9.086 -1.613 1.00 0.00 C ATOM 856 CZ PHE B 57 1.010 9.649 -2.805 1.00 0.00 C ATOM 0 H PHE B 57 3.588 5.238 -1.227 1.00 0.00 H new ATOM 0 HA PHE B 57 3.977 5.929 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.081 7.437 -1.657 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.379 7.830 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.570 8.686 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE B 57 2.925 7.957 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.484 9.966 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE B 57 0.804 9.190 -0.729 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.079 10.194 -2.857 1.00 0.00 H new ATOM 866 N VAL B 58 6.230 4.908 -4.156 1.00 0.00 N ATOM 867 CA VAL B 58 7.446 4.109 -4.227 1.00 0.00 C ATOM 868 C VAL B 58 8.500 4.841 -5.010 1.00 0.00 C ATOM 869 O VAL B 58 8.205 5.440 -6.040 1.00 0.00 O ATOM 870 CB VAL B 58 7.202 2.751 -4.890 1.00 0.00 C ATOM 871 CG1 VAL B 58 8.402 1.834 -4.713 1.00 0.00 C ATOM 872 CG2 VAL B 58 5.958 2.141 -4.315 1.00 0.00 C ATOM 0 H VAL B 58 5.917 5.284 -5.051 1.00 0.00 H new ATOM 0 HA VAL B 58 7.778 3.941 -3.202 1.00 0.00 H new ATOM 0 HB VAL B 58 7.065 2.892 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL B 58 8.202 0.876 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL B 58 9.280 2.292 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.585 1.676 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL B 58 5.778 1.173 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL B 58 6.082 2.007 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL B 58 5.110 2.799 -4.504 1.00 0.00 H new ATOM 882 N ASN B 59 9.731 4.778 -4.514 1.00 0.00 N ATOM 883 CA ASN B 59 10.854 5.524 -5.076 1.00 0.00 C ATOM 884 C ASN B 59 10.599 7.014 -4.910 1.00 0.00 C ATOM 885 O ASN B 59 11.373 7.847 -5.375 1.00 0.00 O ATOM 886 CB ASN B 59 11.063 5.211 -6.565 1.00 0.00 C ATOM 887 CG ASN B 59 10.905 3.741 -6.906 1.00 0.00 C ATOM 888 OD1 ASN B 59 9.716 3.385 -7.365 1.00 0.00 O flip ATOM 889 ND2 ASN B 59 11.837 2.949 -6.783 1.00 0.00 N flip ATOM 0 H ASN B 59 9.980 4.206 -3.707 1.00 0.00 H new ATOM 0 HA ASN B 59 11.755 5.225 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.351 5.790 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.060 5.538 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN B 59 12.736 3.271 -6.424 1.00 0.00 H new ATOM 0 HD22 ASN B 59 11.711 1.970 -7.040 1.00 0.00 H new ATOM 896 N GLY B 60 9.513 7.340 -4.219 1.00 0.00 N ATOM 897 CA GLY B 60 9.083 8.701 -4.131 1.00 0.00 C ATOM 898 C GLY B 60 8.092 9.048 -5.223 1.00 0.00 C ATOM 899 O GLY B 60 7.864 10.224 -5.516 1.00 0.00 O ATOM 0 H GLY B 60 8.926 6.672 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY B 60 8.627 8.876 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY B 60 9.948 9.361 -4.201 1.00 0.00 H new ATOM 903 N GLU B 61 7.511 8.023 -5.833 1.00 0.00 N ATOM 904 CA GLU B 61 6.540 8.200 -6.892 1.00 0.00 C ATOM 905 C GLU B 61 5.252 7.556 -6.462 1.00 0.00 C ATOM 906 O GLU B 61 5.229 6.913 -5.441 1.00 0.00 O ATOM 907 CB GLU B 61 7.014 7.529 -8.171 1.00 0.00 C ATOM 908 CG GLU B 61 7.701 8.458 -9.151 1.00 0.00 C ATOM 909 CD GLU B 61 7.849 7.826 -10.516 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.769 7.001 -10.702 1.00 0.00 O ATOM 911 OE2 GLU B 61 7.037 8.143 -11.410 1.00 0.00 O1- ATOM 0 H GLU B 61 7.703 7.048 -5.604 1.00 0.00 H new ATOM 0 HA GLU B 61 6.405 9.265 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU B 61 7.701 6.724 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.157 7.070 -8.664 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.129 9.381 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU B 61 8.685 8.728 -8.767 1.00 0.00 H new ATOM 918 N LYS B 62 4.193 7.687 -7.224 1.00 0.00 N ATOM 919 CA LYS B 62 2.985 6.954 -6.898 1.00 0.00 C ATOM 920 C LYS B 62 3.232 5.459 -7.101 1.00 0.00 C ATOM 921 O LYS B 62 4.295 5.048 -7.581 1.00 0.00 O ATOM 922 CB LYS B 62 1.804 7.438 -7.750 1.00 0.00 C ATOM 923 CG LYS B 62 0.452 7.053 -7.189 1.00 0.00 C ATOM 924 CD LYS B 62 -0.001 8.039 -6.132 1.00 0.00 C ATOM 925 CE LYS B 62 -0.333 9.388 -6.750 1.00 0.00 C ATOM 926 NZ LYS B 62 0.865 10.208 -7.097 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.137 8.277 -8.054 1.00 0.00 H new ATOM 0 HA LYS B 62 2.728 7.134 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS B 62 1.854 8.523 -7.842 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.901 7.028 -8.755 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -0.282 7.016 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS B 62 0.505 6.053 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.877 7.647 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.782 8.161 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.924 9.227 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.957 9.951 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.724 11.184 -6.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 1.706 9.805 -6.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 1.000 10.206 -8.128 1.00 0.00 H new ATOM 940 N VAL B 63 2.315 4.658 -6.611 1.00 0.00 N ATOM 941 CA VAL B 63 2.234 3.261 -6.997 1.00 0.00 C ATOM 942 C VAL B 63 0.804 2.763 -6.833 1.00 0.00 C ATOM 943 O VAL B 63 0.423 1.731 -7.385 1.00 0.00 O ATOM 944 CB VAL B 63 3.184 2.375 -6.164 1.00 0.00 C ATOM 945 CG1 VAL B 63 2.661 2.191 -4.744 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.403 1.032 -6.846 1.00 0.00 C ATOM 0 H VAL B 63 1.607 4.950 -5.938 1.00 0.00 H new ATOM 0 HA VAL B 63 2.540 3.191 -8.041 1.00 0.00 H new ATOM 0 HB VAL B 63 4.147 2.882 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL B 63 3.351 1.563 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL B 63 2.577 3.163 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL B 63 1.681 1.715 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.076 0.423 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL B 63 2.447 0.519 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL B 63 3.843 1.191 -7.830 1.00 0.00 H new ATOM 956 N TYR B 64 0.001 3.529 -6.105 1.00 0.00 N ATOM 957 CA TYR B 64 -1.309 3.068 -5.704 1.00 0.00 C ATOM 958 C TYR B 64 -2.186 4.251 -5.332 1.00 0.00 C ATOM 959 O TYR B 64 -1.830 5.063 -4.477 1.00 0.00 O ATOM 960 CB TYR B 64 -1.149 2.138 -4.508 1.00 0.00 C ATOM 961 CG TYR B 64 -2.227 1.096 -4.327 1.00 0.00 C ATOM 962 CD1 TYR B 64 -3.436 1.167 -5.001 1.00 0.00 C ATOM 963 CD2 TYR B 64 -2.024 0.035 -3.455 1.00 0.00 C ATOM 964 CE1 TYR B 64 -4.411 0.210 -4.808 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.992 -0.926 -3.260 1.00 0.00 C ATOM 966 CZ TYR B 64 -4.184 -0.832 -3.936 1.00 0.00 C ATOM 967 OH TYR B 64 -5.155 -1.780 -3.736 1.00 0.00 O ATOM 0 H TYR B 64 0.239 4.468 -5.784 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.784 2.535 -6.528 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -0.190 1.628 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.104 2.746 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.617 1.982 -5.686 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -1.089 -0.039 -2.919 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -5.349 0.278 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -2.815 -1.747 -2.581 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.979 -1.345 -3.432 1.00 0.00 H new ATOM 977 N THR B 65 -3.317 4.330 -5.990 1.00 0.00 N ATOM 978 CA THR B 65 -4.300 5.377 -5.747 1.00 0.00 C ATOM 979 C THR B 65 -5.673 4.737 -5.605 1.00 0.00 C ATOM 980 O THR B 65 -6.048 3.900 -6.428 1.00 0.00 O ATOM 981 CB THR B 65 -4.323 6.398 -6.905 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.996 6.877 -7.161 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.232 7.575 -6.579 1.00 0.00 C ATOM 0 H THR B 65 -3.590 3.668 -6.716 1.00 0.00 H new ATOM 0 HA THR B 65 -4.031 5.907 -4.834 1.00 0.00 H new ATOM 0 HB THR B 65 -4.710 5.895 -7.791 1.00 0.00 H new ATOM 0 HG1 THR B 65 -3.018 7.523 -7.898 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.229 8.278 -7.412 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.247 7.215 -6.411 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.871 8.075 -5.680 1.00 0.00 H new ATOM 991 N PHE B 66 -6.411 5.097 -4.561 1.00 0.00 N ATOM 992 CA PHE B 66 -7.667 4.449 -4.282 1.00 0.00 C ATOM 993 C PHE B 66 -8.549 5.274 -3.371 1.00 0.00 C ATOM 994 O PHE B 66 -8.233 6.408 -2.986 1.00 0.00 O ATOM 995 CB PHE B 66 -7.435 3.086 -3.620 1.00 0.00 C ATOM 996 CG PHE B 66 -6.307 3.037 -2.637 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.986 4.102 -1.815 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.566 1.892 -2.554 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.932 4.008 -0.934 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -4.513 1.785 -1.676 1.00 0.00 C ATOM 1001 CZ PHE B 66 -4.192 2.846 -0.864 1.00 0.00 C ATOM 0 H PHE B 66 -6.154 5.832 -3.902 1.00 0.00 H new ATOM 0 HA PHE B 66 -8.170 4.328 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -8.352 2.786 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -7.248 2.348 -4.400 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -6.565 5.012 -1.864 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.812 1.055 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -4.685 4.845 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.941 0.871 -1.625 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.364 2.771 -0.174 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.658 4.654 -3.060 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.623 5.137 -2.102 1.00 0.00 C ATOM 1013 C ASN B 67 -11.006 3.994 -1.182 1.00 0.00 C ATOM 1014 O ASN B 67 -10.971 2.834 -1.599 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.879 5.652 -2.810 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.830 7.126 -3.163 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.302 7.533 -4.224 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.303 7.942 -2.271 1.00 0.00 N ATOM 0 H ASN B 67 -9.925 3.765 -3.482 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.182 5.957 -1.535 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -12.031 5.076 -3.723 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.743 5.471 -2.171 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -11.278 8.946 -2.450 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -10.921 7.569 -1.402 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.347 4.302 0.054 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.778 3.278 1.007 1.00 0.00 C ATOM 1027 C GLU B 68 -12.899 2.411 0.432 1.00 0.00 C ATOM 1028 O GLU B 68 -12.809 1.178 0.425 1.00 0.00 O ATOM 1029 CB GLU B 68 -12.230 3.933 2.307 1.00 0.00 C ATOM 1030 CG GLU B 68 -11.089 4.208 3.271 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.849 4.741 2.589 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -9.934 5.803 1.958 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -8.790 4.080 2.677 1.00 0.00 O ATOM 0 H GLU B 68 -11.337 5.250 0.429 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.927 2.627 1.209 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.735 4.871 2.076 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -12.961 3.289 2.795 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -11.421 4.926 4.021 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.838 3.288 3.799 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.929 3.073 -0.075 1.00 0.00 N ATOM 1041 CA LYS B 69 -15.096 2.404 -0.650 1.00 0.00 C ATOM 1042 C LYS B 69 -14.750 1.696 -1.962 1.00 0.00 C ATOM 1043 O LYS B 69 -15.437 0.762 -2.374 1.00 0.00 O ATOM 1044 CB LYS B 69 -16.206 3.424 -0.883 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.507 2.833 -1.398 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.582 3.901 -1.484 1.00 0.00 C ATOM 1047 CE LYS B 69 -19.860 3.366 -2.098 1.00 0.00 C ATOM 1048 NZ LYS B 69 -20.879 4.435 -2.246 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.983 4.091 -0.101 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.435 1.645 0.056 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -16.404 3.946 0.053 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.853 4.170 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.347 2.390 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.835 2.031 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -18.792 4.286 -0.486 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -18.216 4.738 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.642 2.931 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -20.258 2.566 -1.474 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -21.741 4.036 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -21.103 4.832 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -20.507 5.186 -2.861 1.00 0.00 H new ATOM 1062 N SER B 70 -13.686 2.143 -2.614 1.00 0.00 N ATOM 1063 CA SER B 70 -13.185 1.478 -3.811 1.00 0.00 C ATOM 1064 C SER B 70 -12.599 0.116 -3.437 1.00 0.00 C ATOM 1065 O SER B 70 -12.427 -0.744 -4.298 1.00 0.00 O ATOM 1066 CB SER B 70 -12.140 2.362 -4.501 1.00 0.00 C ATOM 1067 OG SER B 70 -11.312 1.619 -5.371 1.00 0.00 O ATOM 0 H SER B 70 -13.151 2.965 -2.334 1.00 0.00 H new ATOM 0 HA SER B 70 -14.005 1.316 -4.511 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.644 3.148 -5.063 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.525 2.853 -3.747 1.00 0.00 H new ATOM 0 HG SER B 70 -10.660 2.217 -5.793 1.00 0.00 H new ATOM 1073 N THR B 71 -12.323 -0.061 -2.145 1.00 0.00 N ATOM 1074 CA THR B 71 -11.911 -1.325 -1.561 1.00 0.00 C ATOM 1075 C THR B 71 -10.669 -1.908 -2.226 1.00 0.00 C ATOM 1076 O THR B 71 -10.713 -2.456 -3.330 1.00 0.00 O ATOM 1077 CB THR B 71 -13.066 -2.337 -1.556 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.378 -2.786 -2.880 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.300 -1.709 -0.936 1.00 0.00 C ATOM 0 H THR B 71 -12.383 0.695 -1.463 1.00 0.00 H new ATOM 0 HA THR B 71 -11.637 -1.113 -0.527 1.00 0.00 H new ATOM 0 HB THR B 71 -12.750 -3.198 -0.968 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.788 -2.342 -3.524 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.115 -2.432 -0.936 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.080 -1.410 0.089 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.592 -0.833 -1.515 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.561 -1.814 -1.503 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.247 -2.153 -2.031 1.00 0.00 C ATOM 1089 C VAL B 72 -8.129 -3.622 -2.430 1.00 0.00 C ATOM 1090 O VAL B 72 -7.155 -4.006 -3.058 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.142 -1.819 -1.014 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.290 -0.387 -0.528 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.168 -2.800 0.147 1.00 0.00 C ATOM 0 H VAL B 72 -9.548 -1.500 -0.533 1.00 0.00 H new ATOM 0 HA VAL B 72 -8.121 -1.549 -2.930 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.174 -1.912 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.502 -0.164 0.191 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.212 0.295 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.262 -0.263 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.379 -2.547 0.855 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.135 -2.747 0.647 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -7.009 -3.811 -0.227 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.111 -4.438 -2.069 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.077 -5.836 -2.448 1.00 0.00 C ATOM 1105 C GLY B 73 -9.060 -6.002 -3.955 1.00 0.00 C ATOM 1106 O GLY B 73 -8.161 -6.632 -4.512 1.00 0.00 O ATOM 0 H GLY B 73 -9.926 -4.158 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.194 -6.309 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.946 -6.348 -2.034 1.00 0.00 H new ATOM 1110 N ASN B 74 -10.045 -5.412 -4.616 1.00 0.00 N ATOM 1111 CA ASN B 74 -10.143 -5.466 -6.072 1.00 0.00 C ATOM 1112 C ASN B 74 -9.010 -4.680 -6.723 1.00 0.00 C ATOM 1113 O ASN B 74 -8.459 -5.079 -7.757 1.00 0.00 O ATOM 1114 CB ASN B 74 -11.494 -4.907 -6.529 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.654 -5.776 -6.127 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.570 -7.003 -6.136 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.742 -5.133 -5.747 1.00 0.00 N ATOM 0 H ASN B 74 -10.794 -4.886 -4.166 1.00 0.00 H new ATOM 0 HA ASN B 74 -10.061 -6.508 -6.381 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.630 -3.911 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -11.488 -4.797 -7.613 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -14.563 -5.656 -5.443 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.762 -4.113 -5.758 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.649 -3.569 -6.102 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.623 -2.696 -6.656 1.00 0.00 C ATOM 1126 C ILE B 75 -6.255 -3.369 -6.604 1.00 0.00 C ATOM 1127 O ILE B 75 -5.534 -3.415 -7.600 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.522 -1.357 -5.903 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.865 -0.926 -5.313 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -7.003 -0.289 -6.849 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.764 0.318 -4.478 1.00 0.00 C ATOM 0 H ILE B 75 -9.048 -3.250 -5.219 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.917 -2.501 -7.687 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.831 -1.490 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -9.575 -0.757 -6.123 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -9.265 -1.736 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.930 0.661 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -6.018 -0.576 -7.217 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -7.688 -0.184 -7.690 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.748 0.574 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -8.078 0.145 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -8.392 1.139 -5.091 1.00 0.00 H new ATOM 1143 N SER B 76 -5.921 -3.901 -5.433 1.00 0.00 N ATOM 1144 CA SER B 76 -4.613 -4.521 -5.190 1.00 0.00 C ATOM 1145 C SER B 76 -4.369 -5.673 -6.153 1.00 0.00 C ATOM 1146 O SER B 76 -3.226 -5.971 -6.505 1.00 0.00 O ATOM 1147 CB SER B 76 -4.506 -5.017 -3.743 1.00 0.00 C ATOM 1148 OG SER B 76 -3.197 -5.475 -3.445 1.00 0.00 O ATOM 0 H SER B 76 -6.543 -3.917 -4.625 1.00 0.00 H new ATOM 0 HA SER B 76 -3.850 -3.761 -5.357 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.775 -4.211 -3.060 1.00 0.00 H new ATOM 0 HB3 SER B 76 -5.221 -5.824 -3.580 1.00 0.00 H new ATOM 0 HG SER B 76 -3.162 -5.783 -2.515 1.00 0.00 H new ATOM 1154 N ASN B 77 -5.454 -6.314 -6.566 1.00 0.00 N ATOM 1155 CA ASN B 77 -5.405 -7.352 -7.588 1.00 0.00 C ATOM 1156 C ASN B 77 -4.624 -6.850 -8.786 1.00 0.00 C ATOM 1157 O ASN B 77 -3.677 -7.481 -9.256 1.00 0.00 O ATOM 1158 CB ASN B 77 -6.820 -7.691 -8.030 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.890 -8.938 -8.892 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -6.065 -9.841 -8.767 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.882 -9.001 -9.766 1.00 0.00 N ATOM 0 H ASN B 77 -6.390 -6.130 -6.204 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.920 -8.238 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -7.446 -7.830 -7.149 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.233 -6.849 -8.585 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -7.982 -9.820 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -8.547 -8.231 -9.840 1.00 0.00 H new ATOM 1168 N ASP B 78 -5.038 -5.688 -9.256 1.00 0.00 N ATOM 1169 CA ASP B 78 -4.378 -5.026 -10.383 1.00 0.00 C ATOM 1170 C ASP B 78 -3.022 -4.445 -9.989 1.00 0.00 C ATOM 1171 O ASP B 78 -2.074 -4.510 -10.761 1.00 0.00 O ATOM 1172 CB ASP B 78 -5.260 -3.917 -10.953 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.888 -4.299 -12.276 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.163 -4.329 -13.295 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -7.109 -4.556 -12.307 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.833 -5.174 -8.876 1.00 0.00 H new ATOM 0 HA ASP B 78 -4.215 -5.788 -11.145 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -6.046 -3.678 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.664 -3.014 -11.085 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.935 -3.869 -8.797 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.694 -3.267 -8.310 1.00 0.00 C ATOM 1182 C ILE B 79 -0.537 -4.260 -8.296 1.00 0.00 C ATOM 1183 O ILE B 79 0.610 -3.900 -8.537 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.891 -2.688 -6.919 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.981 -1.646 -7.009 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.601 -2.082 -6.376 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.667 -0.484 -7.937 1.00 0.00 C ATOM 0 H ILE B 79 -3.715 -3.804 -8.142 1.00 0.00 H new ATOM 0 HA ILE B 79 -1.437 -2.467 -9.004 1.00 0.00 H new ATOM 0 HB ILE B 79 -2.176 -3.479 -6.225 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.899 -2.127 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -3.175 -1.255 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.780 -1.678 -5.380 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.168 -2.852 -6.322 1.00 0.00 H new ATOM 0 HG23 ILE B 79 -0.268 -1.282 -7.038 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.503 0.215 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.769 0.027 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -2.503 -0.859 -8.947 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.851 -5.517 -8.036 1.00 0.00 N ATOM 1200 CA ASN B 80 0.167 -6.567 -7.980 1.00 0.00 C ATOM 1201 C ASN B 80 0.893 -6.750 -9.316 1.00 0.00 C ATOM 1202 O ASN B 80 1.976 -7.337 -9.359 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.446 -7.895 -7.530 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.349 -8.096 -6.029 1.00 0.00 C ATOM 1205 OD1 ASN B 80 0.619 -8.671 -5.527 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.343 -7.621 -5.298 1.00 0.00 N ATOM 0 H ASN B 80 -1.802 -5.842 -7.859 1.00 0.00 H new ATOM 0 HA ASN B 80 0.907 -6.246 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -1.493 -7.930 -7.832 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.060 -8.716 -8.038 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -1.325 -7.725 -4.283 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -2.128 -7.151 -5.749 1.00 0.00 H new ATOM 1213 N LYS B 81 0.317 -6.233 -10.400 1.00 0.00 N ATOM 1214 CA LYS B 81 0.945 -6.341 -11.715 1.00 0.00 C ATOM 1215 C LYS B 81 1.953 -5.209 -11.921 1.00 0.00 C ATOM 1216 O LYS B 81 2.706 -5.203 -12.893 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.111 -6.304 -12.830 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.568 -4.905 -13.195 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.551 -4.915 -14.351 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.070 -3.516 -14.646 1.00 0.00 C ATOM 1221 NZ LYS B 81 -2.852 -2.961 -13.509 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.576 -5.739 -10.394 1.00 0.00 H new ATOM 0 HA LYS B 81 1.468 -7.297 -11.760 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.296 -6.787 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.976 -6.889 -12.518 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.033 -4.437 -12.327 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.298 -4.298 -13.460 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.067 -5.321 -15.239 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.387 -5.573 -14.115 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -1.230 -2.856 -14.865 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.696 -3.542 -15.538 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -3.327 -2.086 -13.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.564 -3.655 -13.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -2.212 -2.753 -12.716 1.00 0.00 H new ATOM 1235 N LEU B 82 1.978 -4.268 -10.982 1.00 0.00 N ATOM 1236 CA LEU B 82 2.811 -3.068 -11.093 1.00 0.00 C ATOM 1237 C LEU B 82 4.278 -3.416 -10.962 1.00 0.00 C ATOM 1238 O LEU B 82 5.150 -2.625 -11.329 1.00 0.00 O ATOM 1239 CB LEU B 82 2.450 -2.062 -9.995 1.00 0.00 C ATOM 1240 CG LEU B 82 1.334 -1.063 -10.315 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.868 0.062 -11.185 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.159 -1.742 -11.004 1.00 0.00 C ATOM 0 H LEU B 82 1.426 -4.312 -10.126 1.00 0.00 H new ATOM 0 HA LEU B 82 2.627 -2.630 -12.074 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.162 -2.620 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.348 -1.499 -9.741 1.00 0.00 H new ATOM 0 HG LEU B 82 0.978 -0.649 -9.371 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.064 0.765 -11.405 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.669 0.580 -10.658 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.254 -0.351 -12.117 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.614 -1.004 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.496 -2.193 -11.937 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.247 -2.516 -10.353 1.00 0.00 H new ATOM 1254 N ASN B 83 4.525 -4.615 -10.452 1.00 0.00 N ATOM 1255 CA ASN B 83 5.858 -5.049 -10.088 1.00 0.00 C ATOM 1256 C ASN B 83 6.502 -4.000 -9.182 1.00 0.00 C ATOM 1257 O ASN B 83 7.534 -3.414 -9.516 1.00 0.00 O ATOM 1258 CB ASN B 83 6.701 -5.277 -11.342 1.00 0.00 C ATOM 1259 CG ASN B 83 7.942 -6.113 -11.083 1.00 0.00 C ATOM 1260 OD1 ASN B 83 8.449 -6.181 -9.962 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.446 -6.751 -12.127 1.00 0.00 N ATOM 0 H ASN B 83 3.801 -5.313 -10.280 1.00 0.00 H new ATOM 0 HA ASN B 83 5.799 -5.993 -9.547 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.090 -5.770 -12.098 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.999 -4.312 -11.752 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.283 -7.324 -12.019 1.00 0.00 H new ATOM 0 HD22 ASN B 83 7.997 -6.670 -13.039 1.00 0.00 H new ATOM 1268 N ILE B 84 5.845 -3.737 -8.053 1.00 0.00 N ATOM 1269 CA ILE B 84 6.281 -2.728 -7.109 1.00 0.00 C ATOM 1270 C ILE B 84 7.708 -2.974 -6.650 1.00 0.00 C ATOM 1271 O ILE B 84 8.152 -4.120 -6.565 1.00 0.00 O ATOM 1272 CB ILE B 84 5.353 -2.704 -5.879 1.00 0.00 C ATOM 1273 CG1 ILE B 84 3.914 -2.476 -6.315 1.00 0.00 C ATOM 1274 CG2 ILE B 84 5.771 -1.624 -4.889 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.152 -3.735 -6.677 1.00 0.00 C ATOM 0 H ILE B 84 4.993 -4.224 -7.773 1.00 0.00 H new ATOM 0 HA ILE B 84 6.240 -1.767 -7.621 1.00 0.00 H new ATOM 0 HB ILE B 84 5.433 -3.670 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE B 84 3.383 -1.965 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE B 84 3.912 -1.807 -7.175 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.096 -1.634 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE B 84 6.789 -1.815 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.727 -0.649 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.137 -3.473 -6.975 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.654 -4.239 -7.503 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.117 -4.400 -5.814 1.00 0.00 H new ATOM 1287 N LYS B 85 8.408 -1.892 -6.362 1.00 0.00 N ATOM 1288 CA LYS B 85 9.792 -1.965 -5.911 1.00 0.00 C ATOM 1289 C LYS B 85 9.941 -1.422 -4.506 1.00 0.00 C ATOM 1290 O LYS B 85 8.959 -1.181 -3.805 1.00 0.00 O ATOM 1291 CB LYS B 85 10.711 -1.188 -6.851 1.00 0.00 C ATOM 1292 CG LYS B 85 10.672 -1.708 -8.262 1.00 0.00 C ATOM 1293 CD LYS B 85 11.678 -1.012 -9.164 1.00 0.00 C ATOM 1294 CE LYS B 85 11.677 -1.614 -10.563 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.105 -3.040 -10.561 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.040 -0.943 -6.432 1.00 0.00 H new ATOM 0 HA LYS B 85 10.078 -3.017 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.423 -0.137 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.734 -1.239 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.873 -2.779 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.670 -1.573 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.442 0.051 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.675 -1.094 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS B 85 10.677 -1.537 -10.989 1.00 0.00 H new ATOM 0 HE3 LYS B 85 12.342 -1.037 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.351 -3.330 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 12.935 -3.152 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 11.329 -3.635 -10.208 1.00 0.00 H new ATOM 1309 N GLY B 86 11.184 -1.217 -4.120 1.00 0.00 N ATOM 1310 CA GLY B 86 11.477 -0.748 -2.781 1.00 0.00 C ATOM 1311 C GLY B 86 12.628 0.233 -2.760 1.00 0.00 C ATOM 1312 O GLY B 86 13.774 -0.139 -3.013 1.00 0.00 O ATOM 0 H GLY B 86 12.003 -1.367 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.590 -0.274 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.715 -1.599 -2.143 1.00 0.00 H new ATOM 1316 N MET B 87 12.327 1.493 -2.462 1.00 0.00 N ATOM 1317 CA MET B 87 13.332 2.512 -2.324 1.00 0.00 C ATOM 1318 C MET B 87 12.855 3.585 -1.340 1.00 0.00 C ATOM 1319 O MET B 87 13.320 3.648 -0.209 1.00 0.00 O ATOM 1320 CB MET B 87 13.608 3.118 -3.691 1.00 0.00 C ATOM 1321 CG MET B 87 14.255 4.472 -3.623 1.00 0.00 C ATOM 1322 SD MET B 87 16.044 4.405 -3.385 1.00 0.00 S ATOM 1323 CE MET B 87 16.573 3.703 -4.946 1.00 0.00 C ATOM 0 H MET B 87 11.374 1.825 -2.311 1.00 0.00 H new ATOM 0 HA MET B 87 14.252 2.079 -1.932 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.252 2.444 -4.256 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.670 3.199 -4.241 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.039 5.016 -4.543 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.809 5.038 -2.806 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.620 3.951 -5.120 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.457 2.620 -4.916 1.00 0.00 H new ATOM 0 HE3 MET B 87 15.964 4.110 -5.753 1.00 0.00 H new ATOM 1333 N TYR B 88 11.908 4.414 -1.774 1.00 0.00 N ATOM 1334 CA TYR B 88 11.361 5.456 -0.925 1.00 0.00 C ATOM 1335 C TYR B 88 9.847 5.318 -0.880 1.00 0.00 C ATOM 1336 O TYR B 88 9.144 5.752 -1.793 1.00 0.00 O ATOM 1337 CB TYR B 88 11.768 6.830 -1.462 1.00 0.00 C ATOM 1338 CG TYR B 88 11.541 7.967 -0.493 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.315 8.608 -0.415 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.562 8.401 0.341 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.111 9.652 0.468 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.367 9.444 1.225 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.139 10.066 1.283 1.00 0.00 C ATOM 1344 OH TYR B 88 10.937 11.103 2.166 1.00 0.00 O ATOM 0 H TYR B 88 11.507 4.380 -2.711 1.00 0.00 H new ATOM 0 HA TYR B 88 11.754 5.357 0.087 1.00 0.00 H new ATOM 0 HB2 TYR B 88 12.824 6.804 -1.733 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.210 7.030 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.506 8.287 -1.054 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.525 7.915 0.298 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.149 10.140 0.518 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.172 9.770 1.867 1.00 0.00 H new ATOM 0 HH TYR B 88 11.762 11.271 2.668 1.00 0.00 H new ATOM 1354 N ILE B 89 9.361 4.670 0.162 1.00 0.00 N ATOM 1355 CA ILE B 89 7.938 4.397 0.305 1.00 0.00 C ATOM 1356 C ILE B 89 7.270 5.449 1.180 1.00 0.00 C ATOM 1357 O ILE B 89 7.706 5.690 2.307 1.00 0.00 O ATOM 1358 CB ILE B 89 7.702 3.010 0.941 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.570 1.947 0.266 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.229 2.626 0.865 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.262 1.753 -1.196 1.00 0.00 C ATOM 0 H ILE B 89 9.934 4.319 0.929 1.00 0.00 H new ATOM 0 HA ILE B 89 7.504 4.419 -0.695 1.00 0.00 H new ATOM 0 HB ILE B 89 7.988 3.067 1.991 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.619 2.225 0.374 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.437 0.998 0.785 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.085 1.645 1.319 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.632 3.365 1.400 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.915 2.593 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE B 89 8.917 0.984 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.223 1.444 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.423 2.690 -1.729 1.00 0.00 H new ATOM 1373 N GLU B 90 6.212 6.068 0.675 1.00 0.00 N ATOM 1374 CA GLU B 90 5.482 7.055 1.457 1.00 0.00 C ATOM 1375 C GLU B 90 4.025 6.652 1.609 1.00 0.00 C ATOM 1376 O GLU B 90 3.541 5.744 0.930 1.00 0.00 O ATOM 1377 CB GLU B 90 5.536 8.442 0.821 1.00 0.00 C ATOM 1378 CG GLU B 90 6.870 8.788 0.187 1.00 0.00 C ATOM 1379 CD GLU B 90 6.884 10.180 -0.405 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.975 11.160 0.368 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 6.799 10.305 -1.643 1.00 0.00 O ATOM 0 H GLU B 90 5.843 5.907 -0.262 1.00 0.00 H new ATOM 0 HA GLU B 90 5.965 7.095 2.433 1.00 0.00 H new ATOM 0 HB2 GLU B 90 4.757 8.511 0.061 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.305 9.187 1.582 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.657 8.707 0.937 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.097 8.062 -0.594 1.00 0.00 H new ATOM 1388 N ILE B 91 3.341 7.376 2.477 1.00 0.00 N ATOM 1389 CA ILE B 91 1.931 7.152 2.782 1.00 0.00 C ATOM 1390 C ILE B 91 1.292 8.483 3.148 1.00 0.00 C ATOM 1391 O ILE B 91 1.740 9.151 4.082 1.00 0.00 O ATOM 1392 CB ILE B 91 1.735 6.177 3.970 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.158 4.753 3.599 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.288 6.191 4.452 1.00 0.00 C ATOM 1395 CD1 ILE B 91 1.244 4.091 2.589 1.00 0.00 C ATOM 0 H ILE B 91 3.752 8.149 3.000 1.00 0.00 H new ATOM 0 HA ILE B 91 1.468 6.711 1.899 1.00 0.00 H new ATOM 0 HB ILE B 91 2.375 6.519 4.783 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.171 4.777 3.198 1.00 0.00 H new ATOM 0 HG13 ILE B 91 2.187 4.145 4.503 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.176 5.499 5.286 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.022 7.197 4.777 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.370 5.887 3.638 1.00 0.00 H new ATOM 0 HD11 ILE B 91 1.606 3.085 2.375 1.00 0.00 H new ATOM 0 HD12 ILE B 91 0.234 4.034 2.995 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.233 4.676 1.670 1.00 0.00 H new ATOM 1407 N LYS B 92 0.264 8.878 2.417 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.406 10.146 2.677 1.00 0.00 C ATOM 1409 C LYS B 92 -1.708 10.256 1.901 1.00 0.00 C ATOM 1410 O LYS B 92 -2.019 9.420 1.056 1.00 0.00 O ATOM 1411 CB LYS B 92 0.492 11.309 2.274 1.00 0.00 C ATOM 1412 CG LYS B 92 0.900 11.253 0.815 1.00 0.00 C ATOM 1413 CD LYS B 92 1.411 12.600 0.331 1.00 0.00 C ATOM 1414 CE LYS B 92 1.851 12.546 -1.123 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.390 13.850 -1.589 1.00 0.00 N1+ ATOM 0 H LYS B 92 -0.126 8.343 1.641 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.621 10.184 3.745 1.00 0.00 H new ATOM 0 HB2 LYS B 92 -0.028 12.248 2.466 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.386 11.306 2.898 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.675 10.498 0.681 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.048 10.946 0.209 1.00 0.00 H new ATOM 0 HD2 LYS B 92 0.628 13.349 0.446 1.00 0.00 H new ATOM 0 HD3 LYS B 92 2.248 12.916 0.953 1.00 0.00 H new ATOM 0 HE2 LYS B 92 2.612 11.775 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS B 92 1.005 12.259 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 2.679 13.770 -2.585 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 1.656 14.581 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 3.213 14.112 -1.010 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.442 11.322 2.187 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.668 11.643 1.487 1.00 0.00 C ATOM 1431 C GLN B 93 -3.367 12.638 0.378 1.00 0.00 C ATOM 1432 O GLN B 93 -2.438 13.442 0.487 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.720 12.215 2.450 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.406 13.611 2.990 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.200 13.649 3.912 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.025 13.894 3.351 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 -3.321 13.465 5.122 1.00 0.00 N flip ATOM 0 H GLN B 93 -2.198 11.991 2.918 1.00 0.00 H new ATOM 0 HA GLN B 93 -4.077 10.729 1.055 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.681 12.247 1.937 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.830 11.532 3.292 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.233 14.285 2.151 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -5.276 13.988 3.528 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -4.242 13.279 5.520 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -2.501 13.499 5.728 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.143 12.570 -0.679 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.918 13.384 -1.856 1.00 0.00 C ATOM 1448 C ILE B 94 -5.042 14.397 -2.051 1.00 0.00 C ATOM 1449 O ILE B 94 -4.915 15.528 -1.542 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.791 12.482 -3.095 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.841 11.374 -3.021 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.392 11.890 -3.167 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.896 10.485 -4.240 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.052 14.059 -2.697 1.00 0.00 O ATOM 0 H ILE B 94 -4.949 11.949 -0.749 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.990 13.939 -1.717 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.959 13.072 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.640 10.757 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.821 11.828 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.311 11.253 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.659 12.694 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.201 11.298 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.667 9.727 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.130 11.086 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.930 9.999 -4.380 1.00 0.00 H new