USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=22 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 71 THR OG1 : rot -6:sc= 1.3 USER MOD Set 1.2: B 74 ASN : amide:sc= 0 X(o=1.3,f=0.82) USER MOD Set 2.1: B 48 SER OG : rot 51:sc= 2.27 USER MOD Set 2.2: B 52 LYS NZ :NH3+ 180:sc= 0.854 (180deg=-0.343) USER MOD Single : B 10 MET CE :methyl 168:sc= -0.0492 (180deg=-0.307) USER MOD Single : B 11 ASN : amide:sc= 0.169 K(o=0.17,f=-5.5!) USER MOD Single : B 12 SER OG : rot -109:sc= -0.431 USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 SER OG : rot 180:sc= -0.0498 USER MOD Single : B 17 ASN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 7:sc= 0.2 USER MOD Single : B 31 MET CE :methyl -140:sc= -0.234 (180deg=-0.911) USER MOD Single : B 32 ASN : amide:sc= -0.0967 K(o=-0.097,f=-0.89) USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,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 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= -0.243 USER MOD Single : B 42 ASN : amide:sc= -0.837 K(o=-0.84,f=0) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 ASN : amide:sc= -0.69 K(o=-0.69,f=-0.027) USER MOD Single : B 59 ASN : amide:sc= -2.82! K(o=-2.8!,f=-0.32) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 TYR OH : rot 130:sc= -0.482 USER MOD Single : B 65 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= -1.27 X(o=-1.3,f=-1) USER MOD Single : B 69 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.303) USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 76 SER OG : rot 100:sc= 0 USER MOD Single : B 77 ASN : amide:sc=-0.00102 K(o=-0.001,f=-0.92) USER MOD Single : B 80 ASN : amide:sc= -1.81! C(o=-1.8!,f=-3.9!) USER MOD Single : B 81 LYS NZ :NH3+ -110:sc= 1.19 (180deg=-0.0222) USER MOD Single : B 83 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 MET CE :methyl 154:sc= -0.277 (180deg=-0.964) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 162:sc= -0.165 (180deg=-0.415) USER MOD Single : B 93 GLN : amide:sc= -0.0124 K(o=-0.012,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 12.525 -1.333 3.267 1.00 0.00 N ATOM 145 CA MET B 10 12.184 0.004 3.747 1.00 0.00 C ATOM 146 C MET B 10 11.005 -0.042 4.720 1.00 0.00 C ATOM 147 O MET B 10 10.080 -0.833 4.540 1.00 0.00 O ATOM 148 CB MET B 10 11.861 0.917 2.557 1.00 0.00 C ATOM 149 CG MET B 10 11.468 2.335 2.953 1.00 0.00 C ATOM 150 SD MET B 10 12.716 3.159 3.964 1.00 0.00 S ATOM 151 CE MET B 10 14.109 3.201 2.836 1.00 0.00 C ATOM 0 HA MET B 10 13.043 0.406 4.284 1.00 0.00 H new ATOM 0 HB2 MET B 10 12.730 0.962 1.900 1.00 0.00 H new ATOM 0 HB3 MET B 10 11.049 0.473 1.981 1.00 0.00 H new ATOM 0 HG2 MET B 10 11.293 2.922 2.052 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.526 2.305 3.501 1.00 0.00 H new ATOM 0 HE1 MET B 10 14.879 3.862 3.233 1.00 0.00 H new ATOM 0 HE2 MET B 10 14.516 2.196 2.723 1.00 0.00 H new ATOM 0 HE3 MET B 10 13.780 3.570 1.865 1.00 0.00 H new ATOM 161 N ASN B 11 11.076 0.834 5.737 1.00 0.00 N ATOM 162 CA ASN B 11 10.116 0.953 6.854 1.00 0.00 C ATOM 163 C ASN B 11 8.648 0.822 6.438 1.00 0.00 C ATOM 164 O ASN B 11 7.772 0.528 7.263 1.00 0.00 O ATOM 165 CB ASN B 11 10.291 2.310 7.541 1.00 0.00 C ATOM 166 CG ASN B 11 11.703 2.562 8.050 1.00 0.00 C ATOM 167 OD1 ASN B 11 12.686 2.149 7.435 1.00 0.00 O ATOM 168 ND2 ASN B 11 11.813 3.242 9.180 1.00 0.00 N ATOM 0 H ASN B 11 11.837 1.509 5.808 1.00 0.00 H new ATOM 0 HA ASN B 11 10.341 0.122 7.522 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.021 3.100 6.840 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.596 2.376 8.378 1.00 0.00 H new ATOM 0 HD21 ASN B 11 12.735 3.440 9.569 1.00 0.00 H new ATOM 0 HD22 ASN B 11 10.976 3.569 9.662 1.00 0.00 H new ATOM 175 N SER B 12 8.391 1.040 5.168 1.00 0.00 N ATOM 176 CA SER B 12 7.057 0.974 4.616 1.00 0.00 C ATOM 177 C SER B 12 6.463 -0.433 4.719 1.00 0.00 C ATOM 178 O SER B 12 5.297 -0.625 4.379 1.00 0.00 O ATOM 179 CB SER B 12 7.108 1.416 3.158 1.00 0.00 C ATOM 180 OG SER B 12 7.861 2.611 3.030 1.00 0.00 O ATOM 0 H SER B 12 9.110 1.271 4.482 1.00 0.00 H new ATOM 0 HA SER B 12 6.411 1.637 5.192 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.554 0.630 2.549 1.00 0.00 H new ATOM 0 HB3 SER B 12 6.097 1.574 2.784 1.00 0.00 H new ATOM 0 HG SER B 12 7.260 3.356 2.819 1.00 0.00 H new ATOM 186 N ILE B 13 7.260 -1.412 5.186 1.00 0.00 N ATOM 187 CA ILE B 13 6.779 -2.782 5.333 1.00 0.00 C ATOM 188 C ILE B 13 5.453 -2.790 6.066 1.00 0.00 C ATOM 189 O ILE B 13 4.452 -3.336 5.599 1.00 0.00 O ATOM 190 CB ILE B 13 7.719 -3.717 6.130 1.00 0.00 C ATOM 191 CG1 ILE B 13 9.160 -3.260 6.057 1.00 0.00 C ATOM 192 CG2 ILE B 13 7.598 -5.150 5.629 1.00 0.00 C ATOM 193 CD1 ILE B 13 9.488 -2.285 7.143 1.00 0.00 C ATOM 0 H ILE B 13 8.232 -1.273 5.464 1.00 0.00 H new ATOM 0 HA ILE B 13 6.708 -3.156 4.312 1.00 0.00 H new ATOM 0 HB ILE B 13 7.409 -3.676 7.174 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.820 -4.124 6.133 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.347 -2.800 5.087 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.266 -5.793 6.201 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.571 -5.493 5.752 1.00 0.00 H new ATOM 0 HG23 ILE B 13 7.870 -5.191 4.574 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.531 -1.981 7.056 1.00 0.00 H new ATOM 0 HD12 ILE B 13 8.846 -1.409 7.052 1.00 0.00 H new ATOM 0 HD13 ILE B 13 9.326 -2.754 8.114 1.00 0.00 H new ATOM 205 N ASN B 14 5.468 -2.143 7.216 1.00 0.00 N ATOM 206 CA ASN B 14 4.331 -2.117 8.105 1.00 0.00 C ATOM 207 C ASN B 14 3.409 -0.964 7.759 1.00 0.00 C ATOM 208 O ASN B 14 2.202 -1.071 7.911 1.00 0.00 O ATOM 209 CB ASN B 14 4.810 -1.987 9.548 1.00 0.00 C ATOM 210 CG ASN B 14 5.742 -3.117 9.946 1.00 0.00 C ATOM 211 OD1 ASN B 14 5.301 -4.168 10.411 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.040 -2.907 9.776 1.00 0.00 N ATOM 0 H ASN B 14 6.274 -1.620 7.558 1.00 0.00 H new ATOM 0 HA ASN B 14 3.776 -3.048 7.991 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.323 -1.034 9.674 1.00 0.00 H new ATOM 0 HB3 ASN B 14 3.948 -1.976 10.216 1.00 0.00 H new ATOM 0 HD21 ASN B 14 7.712 -3.630 10.034 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.367 -2.022 9.387 1.00 0.00 H new ATOM 219 N SER B 15 3.985 0.132 7.280 1.00 0.00 N ATOM 220 CA SER B 15 3.218 1.323 6.953 1.00 0.00 C ATOM 221 C SER B 15 2.160 1.031 5.892 1.00 0.00 C ATOM 222 O SER B 15 1.013 1.462 6.011 1.00 0.00 O ATOM 223 CB SER B 15 4.162 2.417 6.466 1.00 0.00 C ATOM 224 OG SER B 15 5.331 2.466 7.266 1.00 0.00 O ATOM 0 H SER B 15 4.987 0.218 7.109 1.00 0.00 H new ATOM 0 HA SER B 15 2.701 1.657 7.853 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.435 2.232 5.427 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.655 3.381 6.496 1.00 0.00 H new ATOM 0 HG SER B 15 5.924 3.173 6.936 1.00 0.00 H new ATOM 230 N VAL B 16 2.547 0.281 4.866 1.00 0.00 N ATOM 231 CA VAL B 16 1.621 -0.067 3.790 1.00 0.00 C ATOM 232 C VAL B 16 0.619 -1.098 4.287 1.00 0.00 C ATOM 233 O VAL B 16 -0.579 -1.015 4.004 1.00 0.00 O ATOM 234 CB VAL B 16 2.355 -0.633 2.554 1.00 0.00 C ATOM 235 CG1 VAL B 16 1.372 -0.949 1.436 1.00 0.00 C ATOM 236 CG2 VAL B 16 3.422 0.330 2.062 1.00 0.00 C ATOM 0 H VAL B 16 3.488 -0.096 4.755 1.00 0.00 H new ATOM 0 HA VAL B 16 1.110 0.848 3.491 1.00 0.00 H new ATOM 0 HB VAL B 16 2.844 -1.559 2.856 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.913 -1.346 0.577 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.651 -1.689 1.784 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.847 -0.039 1.145 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.922 -0.095 1.192 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.958 1.278 1.788 1.00 0.00 H new ATOM 0 HG23 VAL B 16 4.152 0.499 2.853 1.00 0.00 H new ATOM 246 N ASN B 17 1.122 -2.054 5.055 1.00 0.00 N ATOM 247 CA ASN B 17 0.298 -3.135 5.571 1.00 0.00 C ATOM 248 C ASN B 17 -0.745 -2.607 6.548 1.00 0.00 C ATOM 249 O ASN B 17 -1.913 -2.956 6.448 1.00 0.00 O ATOM 250 CB ASN B 17 1.171 -4.194 6.255 1.00 0.00 C ATOM 251 CG ASN B 17 0.380 -5.385 6.782 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.741 -5.979 7.797 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.696 -5.750 6.099 1.00 0.00 N ATOM 0 H ASN B 17 2.102 -2.102 5.335 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.221 -3.594 4.729 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.919 -4.550 5.547 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.709 -3.731 7.082 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.253 -6.546 6.411 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.967 -5.235 5.261 1.00 0.00 H new ATOM 260 N ASP B 18 -0.318 -1.741 7.464 1.00 0.00 N ATOM 261 CA ASP B 18 -1.194 -1.219 8.506 1.00 0.00 C ATOM 262 C ASP B 18 -2.259 -0.321 7.911 1.00 0.00 C ATOM 263 O ASP B 18 -3.398 -0.282 8.383 1.00 0.00 O ATOM 264 CB ASP B 18 -0.382 -0.436 9.536 1.00 0.00 C ATOM 265 CG ASP B 18 -0.392 -1.088 10.901 1.00 0.00 C ATOM 266 OD1 ASP B 18 -1.485 -1.280 11.471 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 0.697 -1.433 11.406 1.00 0.00 O ATOM 0 H ASP B 18 0.637 -1.385 7.504 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.679 -2.063 8.995 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.647 -0.344 9.189 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.782 0.575 9.617 1.00 0.00 H new ATOM 272 N LYS B 19 -1.879 0.394 6.863 1.00 0.00 N ATOM 273 CA LYS B 19 -2.764 1.268 6.157 1.00 0.00 C ATOM 274 C LYS B 19 -3.977 0.514 5.629 1.00 0.00 C ATOM 275 O LYS B 19 -5.117 0.810 5.991 1.00 0.00 O ATOM 276 CB LYS B 19 -1.949 1.850 5.027 1.00 0.00 C ATOM 277 CG LYS B 19 -2.741 2.448 3.913 1.00 0.00 C ATOM 278 CD LYS B 19 -3.660 3.567 4.378 1.00 0.00 C ATOM 279 CE LYS B 19 -2.891 4.687 5.050 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.798 5.721 5.609 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.932 0.374 6.485 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.156 2.049 6.809 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.289 2.616 5.434 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.313 1.065 4.618 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.059 2.835 3.156 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -3.337 1.669 3.438 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.209 3.965 3.524 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.398 3.166 5.072 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -2.273 4.276 5.848 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.215 5.147 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.235 6.470 6.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.370 6.132 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -4.426 5.287 6.315 1.00 0.00 H new ATOM 294 N LEU B 20 -3.719 -0.474 4.789 1.00 0.00 N ATOM 295 CA LEU B 20 -4.785 -1.239 4.172 1.00 0.00 C ATOM 296 C LEU B 20 -5.091 -2.508 4.969 1.00 0.00 C ATOM 297 O LEU B 20 -5.556 -3.506 4.420 1.00 0.00 O ATOM 298 CB LEU B 20 -4.430 -1.587 2.726 1.00 0.00 C ATOM 299 CG LEU B 20 -4.326 -0.393 1.771 1.00 0.00 C ATOM 300 CD1 LEU B 20 -4.117 -0.871 0.342 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.565 0.488 1.870 1.00 0.00 C ATOM 0 H LEU B 20 -2.779 -0.764 4.520 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.682 -0.620 4.171 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.479 -2.119 2.721 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.182 -2.275 2.340 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.463 0.205 2.063 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -4.045 -0.010 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -3.197 -1.452 0.284 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.959 -1.494 0.040 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.469 1.329 1.183 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.448 -0.095 1.608 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.666 0.861 2.889 1.00 0.00 H new ATOM 313 N ASN B 21 -4.809 -2.468 6.265 1.00 0.00 N ATOM 314 CA ASN B 21 -5.112 -3.590 7.152 1.00 0.00 C ATOM 315 C ASN B 21 -6.488 -3.418 7.771 1.00 0.00 C ATOM 316 O ASN B 21 -7.241 -4.375 7.926 1.00 0.00 O ATOM 317 CB ASN B 21 -4.063 -3.704 8.263 1.00 0.00 C ATOM 318 CG ASN B 21 -4.301 -4.886 9.176 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.001 -4.781 10.183 1.00 0.00 O ATOM 320 ND2 ASN B 21 -3.717 -6.017 8.834 1.00 0.00 N ATOM 0 H ASN B 21 -4.371 -1.672 6.728 1.00 0.00 H new ATOM 0 HA ASN B 21 -5.096 -4.503 6.557 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.073 -3.791 7.814 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.066 -2.788 8.854 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -3.837 -6.848 9.413 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.145 -6.061 7.991 1.00 0.00 H new ATOM 327 N LYS B 22 -6.818 -2.179 8.099 1.00 0.00 N ATOM 328 CA LYS B 22 -8.085 -1.864 8.739 1.00 0.00 C ATOM 329 C LYS B 22 -9.130 -1.534 7.686 1.00 0.00 C ATOM 330 O LYS B 22 -9.903 -0.586 7.827 1.00 0.00 O ATOM 331 CB LYS B 22 -7.907 -0.696 9.704 1.00 0.00 C ATOM 332 CG LYS B 22 -6.854 -0.958 10.768 1.00 0.00 C ATOM 333 CD LYS B 22 -6.673 0.238 11.688 1.00 0.00 C ATOM 334 CE LYS B 22 -7.926 0.510 12.505 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.793 1.737 13.332 1.00 0.00 N1+ ATOM 0 H LYS B 22 -6.221 -1.369 7.931 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.425 -2.731 9.305 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.631 0.195 9.140 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.860 -0.484 10.189 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -7.141 -1.829 11.357 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.904 -1.195 10.289 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.833 0.058 12.358 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.426 1.119 11.096 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -8.780 0.614 11.836 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.130 -0.343 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -8.668 1.887 13.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.994 1.628 13.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -7.624 2.556 12.714 1.00 0.00 H new ATOM 349 N GLY B 23 -9.134 -2.326 6.627 1.00 0.00 N ATOM 350 CA GLY B 23 -10.041 -2.102 5.520 1.00 0.00 C ATOM 351 C GLY B 23 -11.397 -2.745 5.732 1.00 0.00 C ATOM 352 O GLY B 23 -12.319 -2.527 4.938 1.00 0.00 O ATOM 0 H GLY B 23 -8.517 -3.130 6.513 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.171 -1.030 5.374 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.596 -2.496 4.606 1.00 0.00 H new ATOM 356 N LYS B 24 -11.512 -3.529 6.811 1.00 0.00 N ATOM 357 CA LYS B 24 -12.738 -4.266 7.150 1.00 0.00 C ATOM 358 C LYS B 24 -12.942 -5.437 6.205 1.00 0.00 C ATOM 359 O LYS B 24 -13.084 -6.584 6.632 1.00 0.00 O ATOM 360 CB LYS B 24 -13.954 -3.340 7.158 1.00 0.00 C ATOM 361 CG LYS B 24 -13.878 -2.328 8.277 1.00 0.00 C ATOM 362 CD LYS B 24 -15.157 -1.518 8.431 1.00 0.00 C ATOM 363 CE LYS B 24 -15.198 -0.808 9.771 1.00 0.00 C ATOM 364 NZ LYS B 24 -16.444 -0.019 9.951 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.753 -3.671 7.478 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.624 -4.665 8.158 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.023 -2.821 6.202 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.862 -3.933 7.265 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -13.666 -2.844 9.213 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -13.045 -1.650 8.091 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -15.226 -0.786 7.626 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -16.021 -2.176 8.338 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -15.117 -1.543 10.572 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -14.336 -0.147 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -16.428 0.448 10.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -16.511 0.700 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -17.267 -0.653 9.896 1.00 0.00 H new ATOM 378 N GLY B 25 -12.973 -5.134 4.927 1.00 0.00 N ATOM 379 CA GLY B 25 -12.885 -6.171 3.920 1.00 0.00 C ATOM 380 C GLY B 25 -11.554 -6.897 4.046 1.00 0.00 C ATOM 381 O GLY B 25 -10.559 -6.279 4.431 1.00 0.00 O ATOM 0 H GLY B 25 -13.058 -4.186 4.560 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -13.708 -6.876 4.038 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -12.979 -5.735 2.926 1.00 0.00 H new ATOM 385 N LYS B 26 -11.506 -8.193 3.739 1.00 0.00 N ATOM 386 CA LYS B 26 -10.335 -8.979 4.083 1.00 0.00 C ATOM 387 C LYS B 26 -9.252 -8.838 3.027 1.00 0.00 C ATOM 388 O LYS B 26 -9.462 -9.181 1.865 1.00 0.00 O ATOM 389 CB LYS B 26 -10.707 -10.446 4.255 1.00 0.00 C ATOM 390 CG LYS B 26 -11.780 -10.699 5.301 1.00 0.00 C ATOM 391 CD LYS B 26 -11.883 -12.180 5.627 1.00 0.00 C ATOM 392 CE LYS B 26 -13.089 -12.488 6.489 1.00 0.00 C ATOM 393 NZ LYS B 26 -13.080 -13.896 6.969 1.00 0.00 N1+ ATOM 0 H LYS B 26 -12.249 -8.706 3.264 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.945 -8.600 5.028 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.050 -10.837 3.297 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.812 -11.007 4.526 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.549 -10.139 6.207 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.741 -10.335 4.937 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.944 -12.752 4.701 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.978 -12.502 6.142 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -13.106 -11.813 7.344 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -14.000 -12.304 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.921 -14.068 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -13.089 -14.541 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.223 -14.065 7.534 1.00 0.00 H new ATOM 407 N LEU B 27 -8.099 -8.333 3.441 1.00 0.00 N ATOM 408 CA LEU B 27 -6.986 -8.128 2.567 1.00 0.00 C ATOM 409 C LEU B 27 -5.702 -8.070 3.398 1.00 0.00 C ATOM 410 O LEU B 27 -5.551 -7.217 4.271 1.00 0.00 O ATOM 411 CB LEU B 27 -7.197 -6.838 1.785 1.00 0.00 C ATOM 412 CG LEU B 27 -5.954 -6.313 1.114 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.516 -7.234 -0.016 1.00 0.00 C ATOM 414 CD2 LEU B 27 -6.173 -4.896 0.610 1.00 0.00 C ATOM 0 H LEU B 27 -7.922 -8.056 4.407 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.900 -8.950 1.857 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.962 -7.007 1.027 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -7.581 -6.075 2.462 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.153 -6.288 1.853 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.617 -6.833 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.305 -8.226 0.384 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.311 -7.303 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.263 -4.536 0.129 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -6.991 -4.888 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -6.421 -4.246 1.449 1.00 0.00 H new ATOM 426 N SER B 28 -4.800 -8.999 3.135 1.00 0.00 N ATOM 427 CA SER B 28 -3.573 -9.135 3.904 1.00 0.00 C ATOM 428 C SER B 28 -2.344 -8.833 3.047 1.00 0.00 C ATOM 429 O SER B 28 -2.021 -9.592 2.132 1.00 0.00 O ATOM 430 CB SER B 28 -3.483 -10.556 4.455 1.00 0.00 C ATOM 431 OG SER B 28 -4.581 -10.839 5.308 1.00 0.00 O ATOM 0 H SER B 28 -4.896 -9.681 2.383 1.00 0.00 H new ATOM 0 HA SER B 28 -3.595 -8.416 4.723 1.00 0.00 H new ATOM 0 HB2 SER B 28 -3.464 -11.269 3.631 1.00 0.00 H new ATOM 0 HB3 SER B 28 -2.550 -10.679 5.004 1.00 0.00 H new ATOM 0 HG SER B 28 -4.504 -11.755 5.648 1.00 0.00 H new ATOM 437 N LEU B 29 -1.659 -7.736 3.351 1.00 0.00 N ATOM 438 CA LEU B 29 -0.484 -7.326 2.586 1.00 0.00 C ATOM 439 C LEU B 29 0.808 -7.755 3.261 1.00 0.00 C ATOM 440 O LEU B 29 0.829 -8.141 4.428 1.00 0.00 O ATOM 441 CB LEU B 29 -0.428 -5.806 2.397 1.00 0.00 C ATOM 442 CG LEU B 29 -1.363 -5.205 1.344 1.00 0.00 C ATOM 443 CD1 LEU B 29 -2.815 -5.473 1.681 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.119 -3.711 1.227 1.00 0.00 C ATOM 0 H LEU B 29 -1.897 -7.113 4.123 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.579 -7.817 1.618 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -0.650 -5.336 3.355 1.00 0.00 H new ATOM 0 HB3 LEU B 29 0.595 -5.534 2.138 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.148 -5.681 0.387 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -3.453 -5.034 0.915 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.986 -6.549 1.723 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -3.052 -5.030 2.648 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.788 -3.291 0.476 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.309 -3.235 2.189 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.085 -3.533 0.932 1.00 0.00 H new ATOM 456 N SER B 30 1.874 -7.682 2.489 1.00 0.00 N ATOM 457 CA SER B 30 3.219 -7.867 2.963 1.00 0.00 C ATOM 458 C SER B 30 4.182 -7.251 1.959 1.00 0.00 C ATOM 459 O SER B 30 3.974 -7.355 0.750 1.00 0.00 O ATOM 460 CB SER B 30 3.522 -9.342 3.129 1.00 0.00 C ATOM 461 OG SER B 30 2.972 -10.099 2.062 1.00 0.00 O ATOM 0 H SER B 30 1.820 -7.487 1.489 1.00 0.00 H new ATOM 0 HA SER B 30 3.332 -7.382 3.933 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.601 -9.493 3.168 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.116 -9.696 4.077 1.00 0.00 H new ATOM 0 HG SER B 30 2.602 -9.492 1.387 1.00 0.00 H new ATOM 467 N MET B 31 5.229 -6.624 2.453 1.00 0.00 N ATOM 468 CA MET B 31 6.158 -5.909 1.591 1.00 0.00 C ATOM 469 C MET B 31 7.476 -6.651 1.499 1.00 0.00 C ATOM 470 O MET B 31 7.996 -7.132 2.504 1.00 0.00 O ATOM 471 CB MET B 31 6.406 -4.501 2.128 1.00 0.00 C ATOM 472 CG MET B 31 5.158 -3.638 2.206 1.00 0.00 C ATOM 473 SD MET B 31 4.573 -3.102 0.588 1.00 0.00 S ATOM 474 CE MET B 31 5.964 -2.130 0.009 1.00 0.00 C ATOM 0 H MET B 31 5.461 -6.593 3.446 1.00 0.00 H new ATOM 0 HA MET B 31 5.715 -5.843 0.597 1.00 0.00 H new ATOM 0 HB2 MET B 31 6.846 -4.575 3.122 1.00 0.00 H new ATOM 0 HB3 MET B 31 7.139 -4.005 1.492 1.00 0.00 H new ATOM 0 HG2 MET B 31 4.367 -4.197 2.706 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.366 -2.762 2.820 1.00 0.00 H new ATOM 0 HE1 MET B 31 5.598 -1.240 -0.504 1.00 0.00 H new ATOM 0 HE2 MET B 31 6.578 -1.832 0.859 1.00 0.00 H new ATOM 0 HE3 MET B 31 6.562 -2.726 -0.680 1.00 0.00 H new ATOM 484 N ASN B 32 8.010 -6.746 0.297 1.00 0.00 N ATOM 485 CA ASN B 32 9.311 -7.361 0.091 1.00 0.00 C ATOM 486 C ASN B 32 10.122 -6.525 -0.891 1.00 0.00 C ATOM 487 O ASN B 32 10.479 -6.987 -1.975 1.00 0.00 O ATOM 488 CB ASN B 32 9.159 -8.804 -0.410 1.00 0.00 C ATOM 489 CG ASN B 32 10.493 -9.524 -0.525 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.438 -9.234 0.211 1.00 0.00 O ATOM 491 ND2 ASN B 32 10.577 -10.474 -1.443 1.00 0.00 N ATOM 0 H ASN B 32 7.564 -6.405 -0.555 1.00 0.00 H new ATOM 0 HA ASN B 32 9.841 -7.397 1.043 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.510 -9.355 0.271 1.00 0.00 H new ATOM 0 HB3 ASN B 32 8.668 -8.797 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.446 -10.995 -1.560 1.00 0.00 H new ATOM 0 HD22 ASN B 32 9.773 -10.685 -2.033 1.00 0.00 H new ATOM 498 N GLY B 33 10.377 -5.278 -0.497 1.00 0.00 N ATOM 499 CA GLY B 33 11.180 -4.367 -1.297 1.00 0.00 C ATOM 500 C GLY B 33 10.657 -4.193 -2.709 1.00 0.00 C ATOM 501 O GLY B 33 9.704 -3.454 -2.944 1.00 0.00 O ATOM 0 H GLY B 33 10.035 -4.878 0.377 1.00 0.00 H new ATOM 0 HA2 GLY B 33 11.212 -3.394 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.204 -4.737 -1.339 1.00 0.00 H new ATOM 505 N ASN B 34 11.283 -4.897 -3.642 1.00 0.00 N ATOM 506 CA ASN B 34 10.944 -4.811 -5.051 1.00 0.00 C ATOM 507 C ASN B 34 9.653 -5.560 -5.383 1.00 0.00 C ATOM 508 O ASN B 34 9.232 -5.598 -6.541 1.00 0.00 O ATOM 509 CB ASN B 34 12.097 -5.357 -5.897 1.00 0.00 C ATOM 510 CG ASN B 34 13.362 -4.533 -5.748 1.00 0.00 C ATOM 511 OD1 ASN B 34 14.217 -4.824 -4.912 1.00 0.00 O ATOM 512 ND2 ASN B 34 13.484 -3.490 -6.554 1.00 0.00 N ATOM 0 H ASN B 34 12.043 -5.546 -3.439 1.00 0.00 H new ATOM 0 HA ASN B 34 10.779 -3.759 -5.284 1.00 0.00 H new ATOM 0 HB2 ASN B 34 12.301 -6.388 -5.607 1.00 0.00 H new ATOM 0 HB3 ASN B 34 11.799 -5.374 -6.945 1.00 0.00 H new ATOM 0 HD21 ASN B 34 14.310 -2.894 -6.495 1.00 0.00 H new ATOM 0 HD22 ASN B 34 12.752 -3.283 -7.234 1.00 0.00 H new ATOM 519 N GLN B 35 9.035 -6.180 -4.384 1.00 0.00 N ATOM 520 CA GLN B 35 7.754 -6.826 -4.588 1.00 0.00 C ATOM 521 C GLN B 35 6.758 -6.486 -3.494 1.00 0.00 C ATOM 522 O GLN B 35 7.119 -6.230 -2.341 1.00 0.00 O ATOM 523 CB GLN B 35 7.914 -8.334 -4.641 1.00 0.00 C ATOM 524 CG GLN B 35 8.872 -8.798 -5.714 1.00 0.00 C ATOM 525 CD GLN B 35 8.945 -10.306 -5.803 1.00 0.00 C ATOM 526 OE1 GLN B 35 8.163 -10.940 -6.512 1.00 0.00 O ATOM 527 NE2 GLN B 35 9.893 -10.888 -5.092 1.00 0.00 N ATOM 0 H GLN B 35 9.401 -6.246 -3.434 1.00 0.00 H new ATOM 0 HA GLN B 35 7.371 -6.454 -5.538 1.00 0.00 H new ATOM 0 HB2 GLN B 35 8.265 -8.689 -3.672 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.939 -8.790 -4.813 1.00 0.00 H new ATOM 0 HG2 GLN B 35 8.559 -8.394 -6.677 1.00 0.00 H new ATOM 0 HG3 GLN B 35 9.866 -8.400 -5.508 1.00 0.00 H new ATOM 0 HE21 GLN B 35 10.519 -10.323 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN B 35 9.999 -11.902 -5.117 1.00 0.00 H new ATOM 536 N LEU B 36 5.504 -6.508 -3.881 1.00 0.00 N ATOM 537 CA LEU B 36 4.392 -6.401 -2.953 1.00 0.00 C ATOM 538 C LEU B 36 3.575 -7.671 -3.060 1.00 0.00 C ATOM 539 O LEU B 36 3.275 -8.139 -4.159 1.00 0.00 O ATOM 540 CB LEU B 36 3.547 -5.148 -3.252 1.00 0.00 C ATOM 541 CG LEU B 36 2.248 -4.935 -2.435 1.00 0.00 C ATOM 542 CD1 LEU B 36 1.111 -5.811 -2.939 1.00 0.00 C ATOM 543 CD2 LEU B 36 2.480 -5.178 -0.952 1.00 0.00 C ATOM 0 H LEU B 36 5.220 -6.601 -4.856 1.00 0.00 H new ATOM 0 HA LEU B 36 4.756 -6.289 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU B 36 4.182 -4.274 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU B 36 3.277 -5.171 -4.308 1.00 0.00 H new ATOM 0 HG LEU B 36 1.957 -3.894 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU B 36 0.219 -5.631 -2.339 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.902 -5.571 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.397 -6.860 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.549 -5.020 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.820 -6.202 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU B 36 3.237 -4.486 -0.584 1.00 0.00 H new ATOM 555 N LYS B 37 3.255 -8.241 -1.922 1.00 0.00 N ATOM 556 CA LYS B 37 2.529 -9.492 -1.877 1.00 0.00 C ATOM 557 C LYS B 37 1.319 -9.332 -0.978 1.00 0.00 C ATOM 558 O LYS B 37 1.415 -8.746 0.096 1.00 0.00 O ATOM 559 CB LYS B 37 3.435 -10.600 -1.347 1.00 0.00 C ATOM 560 CG LYS B 37 4.894 -10.441 -1.776 1.00 0.00 C ATOM 561 CD LYS B 37 5.796 -11.538 -1.233 1.00 0.00 C ATOM 562 CE LYS B 37 5.817 -11.560 0.290 1.00 0.00 C ATOM 563 NZ LYS B 37 6.694 -12.639 0.820 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.488 -7.856 -1.007 1.00 0.00 H new ATOM 0 HA LYS B 37 2.201 -9.761 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS B 37 3.382 -10.614 -0.258 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.063 -11.563 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS B 37 4.949 -10.439 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS B 37 5.263 -9.473 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.455 -12.504 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.809 -11.392 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS B 37 6.164 -10.596 0.662 1.00 0.00 H new ATOM 0 HE3 LYS B 37 4.803 -11.700 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 6.680 -12.619 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.349 -13.562 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 7.667 -12.492 0.484 1.00 0.00 H new ATOM 577 N ALA B 38 0.188 -9.850 -1.410 1.00 0.00 N ATOM 578 CA ALA B 38 -1.058 -9.665 -0.680 1.00 0.00 C ATOM 579 C ALA B 38 -2.118 -10.665 -1.112 1.00 0.00 C ATOM 580 O ALA B 38 -2.061 -11.216 -2.215 1.00 0.00 O ATOM 581 CB ALA B 38 -1.576 -8.248 -0.869 1.00 0.00 C ATOM 0 H ALA B 38 0.101 -10.403 -2.263 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.847 -9.835 0.376 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.508 -8.125 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.837 -7.538 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -1.754 -8.064 -1.928 1.00 0.00 H new ATOM 587 N THR B 39 -3.083 -10.893 -0.235 1.00 0.00 N ATOM 588 CA THR B 39 -4.196 -11.777 -0.523 1.00 0.00 C ATOM 589 C THR B 39 -5.476 -11.178 0.032 1.00 0.00 C ATOM 590 O THR B 39 -5.433 -10.413 0.988 1.00 0.00 O ATOM 591 CB THR B 39 -3.970 -13.170 0.088 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.886 -13.121 1.028 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.666 -14.194 -0.992 1.00 0.00 C ATOM 0 H THR B 39 -3.115 -10.471 0.693 1.00 0.00 H new ATOM 0 HA THR B 39 -4.276 -11.888 -1.604 1.00 0.00 H new ATOM 0 HB THR B 39 -4.884 -13.471 0.601 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.748 -14.011 1.415 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.510 -15.171 -0.534 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.504 -14.249 -1.687 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.766 -13.898 -1.531 1.00 0.00 H new ATOM 601 N SER B 40 -6.605 -11.506 -0.562 1.00 0.00 N ATOM 602 CA SER B 40 -7.871 -10.957 -0.114 1.00 0.00 C ATOM 603 C SER B 40 -8.876 -12.065 0.141 1.00 0.00 C ATOM 604 O SER B 40 -8.824 -13.121 -0.492 1.00 0.00 O ATOM 605 CB SER B 40 -8.410 -9.962 -1.144 1.00 0.00 C ATOM 606 OG SER B 40 -8.425 -10.529 -2.445 1.00 0.00 O ATOM 0 H SER B 40 -6.674 -12.147 -1.353 1.00 0.00 H new ATOM 0 HA SER B 40 -7.707 -10.428 0.825 1.00 0.00 H new ATOM 0 HB2 SER B 40 -9.419 -9.657 -0.866 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.793 -9.063 -1.143 1.00 0.00 H new ATOM 0 HG SER B 40 -8.775 -9.873 -3.084 1.00 0.00 H new ATOM 612 N SER B 41 -9.784 -11.827 1.069 1.00 0.00 N ATOM 613 CA SER B 41 -10.794 -12.806 1.400 1.00 0.00 C ATOM 614 C SER B 41 -12.179 -12.194 1.313 1.00 0.00 C ATOM 615 O SER B 41 -12.331 -10.962 1.358 1.00 0.00 O ATOM 616 CB SER B 41 -10.517 -13.430 2.768 1.00 0.00 C ATOM 617 OG SER B 41 -11.484 -14.413 3.097 1.00 0.00 O ATOM 0 H SER B 41 -9.840 -10.962 1.606 1.00 0.00 H new ATOM 0 HA SER B 41 -10.754 -13.614 0.669 1.00 0.00 H new ATOM 0 HB2 SER B 41 -9.524 -13.880 2.769 1.00 0.00 H new ATOM 0 HB3 SER B 41 -10.515 -12.651 3.530 1.00 0.00 H new ATOM 0 HG SER B 41 -11.278 -14.794 3.976 1.00 0.00 H new ATOM 623 N ASN B 42 -13.169 -13.093 1.270 1.00 0.00 N ATOM 624 CA ASN B 42 -14.483 -12.844 0.676 1.00 0.00 C ATOM 625 C ASN B 42 -15.348 -11.909 1.495 1.00 0.00 C ATOM 626 O ASN B 42 -16.472 -12.240 1.866 1.00 0.00 O ATOM 627 CB ASN B 42 -15.223 -14.168 0.464 1.00 0.00 C ATOM 628 CG ASN B 42 -14.531 -15.085 -0.530 1.00 0.00 C ATOM 629 OD1 ASN B 42 -14.571 -16.307 -0.386 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.916 -14.513 -1.555 1.00 0.00 N ATOM 0 H ASN B 42 -13.075 -14.033 1.656 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.298 -12.351 -0.279 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.316 -14.683 1.420 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -16.234 -13.960 0.114 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.454 -15.089 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.904 -13.497 -1.640 1.00 0.00 H new ATOM 637 N ALA B 43 -14.815 -10.748 1.773 1.00 0.00 N ATOM 638 CA ALA B 43 -15.598 -9.672 2.344 1.00 0.00 C ATOM 639 C ALA B 43 -16.042 -8.718 1.249 1.00 0.00 C ATOM 640 O ALA B 43 -16.972 -7.930 1.431 1.00 0.00 O ATOM 641 CB ALA B 43 -14.808 -8.937 3.408 1.00 0.00 C ATOM 0 H ALA B 43 -13.834 -10.518 1.613 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.482 -10.097 2.819 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -15.416 -8.133 3.823 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -14.534 -9.631 4.202 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.905 -8.517 2.965 1.00 0.00 H new ATOM 647 N GLY B 44 -15.356 -8.802 0.112 1.00 0.00 N ATOM 648 CA GLY B 44 -15.685 -7.987 -1.049 1.00 0.00 C ATOM 649 C GLY B 44 -15.271 -6.533 -0.901 1.00 0.00 C ATOM 650 O GLY B 44 -14.574 -5.980 -1.759 1.00 0.00 O ATOM 0 H GLY B 44 -14.565 -9.431 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -15.199 -8.408 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.760 -8.035 -1.225 1.00 0.00 H new ATOM 654 N TYR B 45 -15.696 -5.924 0.191 1.00 0.00 N ATOM 655 CA TYR B 45 -15.464 -4.513 0.443 1.00 0.00 C ATOM 656 C TYR B 45 -14.033 -4.222 0.871 1.00 0.00 C ATOM 657 O TYR B 45 -13.226 -5.124 1.093 1.00 0.00 O ATOM 658 CB TYR B 45 -16.415 -4.015 1.525 1.00 0.00 C ATOM 659 CG TYR B 45 -17.687 -3.392 0.991 1.00 0.00 C ATOM 660 CD1 TYR B 45 -17.696 -2.083 0.526 1.00 0.00 C ATOM 661 CD2 TYR B 45 -18.878 -4.104 0.964 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.855 -1.501 0.050 1.00 0.00 C ATOM 663 CE2 TYR B 45 -20.042 -3.529 0.486 1.00 0.00 C ATOM 664 CZ TYR B 45 -20.024 -2.228 0.030 1.00 0.00 C ATOM 665 OH TYR B 45 -21.182 -1.648 -0.442 1.00 0.00 O ATOM 0 H TYR B 45 -16.214 -6.396 0.932 1.00 0.00 H new ATOM 0 HA TYR B 45 -15.644 -3.991 -0.497 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -16.677 -4.849 2.175 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -15.895 -3.282 2.141 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -16.781 -1.510 0.537 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -18.896 -5.123 1.322 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.844 -0.481 -0.305 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -20.961 -4.097 0.470 1.00 0.00 H new ATOM 0 HH TYR B 45 -21.917 -2.295 -0.390 1.00 0.00 H new ATOM 675 N GLY B 46 -13.743 -2.937 0.980 1.00 0.00 N ATOM 676 CA GLY B 46 -12.454 -2.469 1.443 1.00 0.00 C ATOM 677 C GLY B 46 -12.576 -1.044 1.926 1.00 0.00 C ATOM 678 O GLY B 46 -11.658 -0.245 1.791 1.00 0.00 O ATOM 0 H GLY B 46 -14.398 -2.190 0.749 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -12.092 -3.107 2.249 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -11.723 -2.529 0.637 1.00 0.00 H new ATOM 682 N ILE B 47 -13.749 -0.757 2.488 1.00 0.00 N ATOM 683 CA ILE B 47 -14.143 0.590 2.903 1.00 0.00 C ATOM 684 C ILE B 47 -13.142 1.199 3.850 1.00 0.00 C ATOM 685 O ILE B 47 -12.806 2.378 3.764 1.00 0.00 O ATOM 686 CB ILE B 47 -15.473 0.585 3.679 1.00 0.00 C ATOM 687 CG1 ILE B 47 -16.294 -0.670 3.396 1.00 0.00 C ATOM 688 CG2 ILE B 47 -16.269 1.829 3.354 1.00 0.00 C ATOM 689 CD1 ILE B 47 -15.954 -1.843 4.297 1.00 0.00 C ATOM 0 H ILE B 47 -14.463 -1.462 2.671 1.00 0.00 H new ATOM 0 HA ILE B 47 -14.219 1.157 1.975 1.00 0.00 H new ATOM 0 HB ILE B 47 -15.237 0.581 4.743 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.352 -0.433 3.508 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -16.142 -0.966 2.358 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -17.208 1.815 3.908 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.695 2.712 3.635 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -16.479 1.858 2.285 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.579 -2.697 4.034 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -14.905 -2.108 4.168 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.134 -1.568 5.336 1.00 0.00 H new ATOM 701 N SER B 48 -12.747 0.375 4.797 1.00 0.00 N ATOM 702 CA SER B 48 -11.906 0.786 5.902 1.00 0.00 C ATOM 703 C SER B 48 -12.730 1.657 6.823 1.00 0.00 C ATOM 704 O SER B 48 -13.427 1.146 7.695 1.00 0.00 O ATOM 705 CB SER B 48 -10.642 1.522 5.438 1.00 0.00 C ATOM 706 OG SER B 48 -9.767 1.759 6.530 1.00 0.00 O ATOM 0 H SER B 48 -13.004 -0.612 4.822 1.00 0.00 H new ATOM 0 HA SER B 48 -11.558 -0.103 6.428 1.00 0.00 H new ATOM 0 HB2 SER B 48 -10.130 0.932 4.678 1.00 0.00 H new ATOM 0 HB3 SER B 48 -10.917 2.469 4.974 1.00 0.00 H new ATOM 0 HG SER B 48 -9.615 0.921 7.015 1.00 0.00 H new ATOM 712 N TYR B 49 -12.695 2.961 6.586 1.00 0.00 N ATOM 713 CA TYR B 49 -13.537 3.891 7.315 1.00 0.00 C ATOM 714 C TYR B 49 -14.064 4.978 6.392 1.00 0.00 C ATOM 715 O TYR B 49 -13.290 5.648 5.708 1.00 0.00 O ATOM 716 CB TYR B 49 -12.816 4.491 8.531 1.00 0.00 C ATOM 717 CG TYR B 49 -12.511 3.469 9.607 1.00 0.00 C ATOM 718 CD1 TYR B 49 -13.506 2.628 10.085 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.232 3.328 10.129 1.00 0.00 C ATOM 720 CE1 TYR B 49 -13.239 1.676 11.044 1.00 0.00 C ATOM 721 CE2 TYR B 49 -10.958 2.380 11.095 1.00 0.00 C ATOM 722 CZ TYR B 49 -11.964 1.556 11.548 1.00 0.00 C ATOM 723 OH TYR B 49 -11.691 0.604 12.505 1.00 0.00 O ATOM 0 H TYR B 49 -12.089 3.397 5.891 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.388 3.329 7.700 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -11.885 4.952 8.202 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -13.432 5.284 8.956 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -14.510 2.722 9.697 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -10.439 3.970 9.774 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -14.026 1.027 11.399 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -9.959 2.285 11.494 1.00 0.00 H new ATOM 0 HH TYR B 49 -10.744 0.651 12.753 1.00 0.00 H new ATOM 733 N GLU B 50 -15.394 5.141 6.406 1.00 0.00 N ATOM 734 CA GLU B 50 -16.125 6.048 5.514 1.00 0.00 C ATOM 735 C GLU B 50 -15.520 6.119 4.113 1.00 0.00 C ATOM 736 O GLU B 50 -15.602 5.163 3.338 1.00 0.00 O ATOM 737 CB GLU B 50 -16.266 7.446 6.132 1.00 0.00 C ATOM 738 CG GLU B 50 -15.215 7.776 7.179 1.00 0.00 C ATOM 739 CD GLU B 50 -15.280 9.214 7.642 1.00 0.00 C ATOM 740 OE1 GLU B 50 -16.045 9.508 8.587 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -14.572 10.063 7.058 1.00 0.00 O ATOM 0 H GLU B 50 -16.002 4.636 7.050 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.123 5.626 5.398 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.215 8.189 5.336 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.253 7.532 6.586 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -15.344 7.117 8.037 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -14.225 7.575 6.769 1.00 0.00 H new ATOM 748 N ASP B 51 -14.925 7.251 3.791 1.00 0.00 N ATOM 749 CA ASP B 51 -14.246 7.418 2.526 1.00 0.00 C ATOM 750 C ASP B 51 -12.883 8.042 2.749 1.00 0.00 C ATOM 751 O ASP B 51 -12.737 9.005 3.508 1.00 0.00 O ATOM 752 CB ASP B 51 -15.074 8.267 1.555 1.00 0.00 C ATOM 753 CG ASP B 51 -15.171 9.727 1.957 1.00 0.00 C ATOM 754 OD1 ASP B 51 -15.892 10.041 2.930 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -14.530 10.574 1.302 1.00 0.00 O ATOM 0 H ASP B 51 -14.900 8.073 4.395 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.118 6.434 2.076 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -14.633 8.201 0.560 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -16.079 7.850 1.486 1.00 0.00 H new ATOM 760 N LYS B 52 -11.884 7.457 2.123 1.00 0.00 N ATOM 761 CA LYS B 52 -10.523 7.942 2.227 1.00 0.00 C ATOM 762 C LYS B 52 -9.866 7.901 0.860 1.00 0.00 C ATOM 763 O LYS B 52 -9.940 6.888 0.163 1.00 0.00 O ATOM 764 CB LYS B 52 -9.706 7.073 3.177 1.00 0.00 C ATOM 765 CG LYS B 52 -10.397 6.728 4.491 1.00 0.00 C ATOM 766 CD LYS B 52 -9.611 5.674 5.253 1.00 0.00 C ATOM 767 CE LYS B 52 -10.266 5.301 6.574 1.00 0.00 C ATOM 768 NZ LYS B 52 -9.434 4.320 7.317 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.991 6.634 1.529 1.00 0.00 H new ATOM 0 HA LYS B 52 -10.555 8.962 2.610 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.448 6.146 2.666 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -8.770 7.585 3.400 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -10.497 7.626 5.101 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.405 6.364 4.292 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -9.513 4.781 4.635 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -8.603 6.043 5.442 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -10.409 6.196 7.180 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.254 4.880 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -9.900 4.080 8.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -9.319 3.459 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -8.500 4.734 7.511 1.00 0.00 H new ATOM 782 N ASN B 53 -9.250 8.997 0.473 1.00 0.00 N ATOM 783 CA ASN B 53 -8.500 9.050 -0.765 1.00 0.00 C ATOM 784 C ASN B 53 -7.042 9.324 -0.469 1.00 0.00 C ATOM 785 O ASN B 53 -6.692 10.350 0.116 1.00 0.00 O ATOM 786 CB ASN B 53 -9.066 10.105 -1.717 1.00 0.00 C ATOM 787 CG ASN B 53 -9.361 11.434 -1.044 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.443 11.638 -0.497 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.417 12.357 -1.105 1.00 0.00 N ATOM 0 H ASN B 53 -9.254 9.869 1.001 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.588 8.083 -1.261 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.357 10.268 -2.529 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.983 9.723 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -8.574 13.275 -0.690 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.531 12.151 -1.567 1.00 0.00 H new ATOM 796 N TRP B 54 -6.196 8.394 -0.849 1.00 0.00 N ATOM 797 CA TRP B 54 -4.787 8.509 -0.569 1.00 0.00 C ATOM 798 C TRP B 54 -3.969 7.941 -1.722 1.00 0.00 C ATOM 799 O TRP B 54 -4.518 7.328 -2.640 1.00 0.00 O ATOM 800 CB TRP B 54 -4.458 7.814 0.753 1.00 0.00 C ATOM 801 CG TRP B 54 -4.616 6.329 0.733 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.777 5.618 0.825 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.562 5.371 0.636 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.508 4.273 0.784 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.151 4.097 0.666 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.173 5.473 0.522 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.394 2.931 0.587 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.428 4.316 0.440 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.039 3.059 0.473 1.00 0.00 C ATOM 0 H TRP B 54 -6.462 7.548 -1.354 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.525 9.562 -0.468 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.431 8.053 1.028 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.100 8.224 1.533 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.763 6.050 0.917 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.202 3.527 0.833 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.692 6.440 0.499 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.862 1.958 0.615 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.354 4.382 0.349 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.427 2.171 0.407 1.00 0.00 H new ATOM 820 N GLY B 55 -2.667 8.161 -1.677 1.00 0.00 N ATOM 821 CA GLY B 55 -1.813 7.757 -2.767 1.00 0.00 C ATOM 822 C GLY B 55 -0.542 7.104 -2.286 1.00 0.00 C ATOM 823 O GLY B 55 -0.064 7.392 -1.186 1.00 0.00 O ATOM 0 H GLY B 55 -2.185 8.614 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.354 7.064 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.564 8.628 -3.373 1.00 0.00 H new ATOM 827 N ILE B 56 -0.006 6.207 -3.095 1.00 0.00 N ATOM 828 CA ILE B 56 1.288 5.617 -2.817 1.00 0.00 C ATOM 829 C ILE B 56 2.333 6.264 -3.710 1.00 0.00 C ATOM 830 O ILE B 56 2.049 6.591 -4.865 1.00 0.00 O ATOM 831 CB ILE B 56 1.281 4.100 -3.072 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.019 3.469 -2.491 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.521 3.455 -2.466 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.260 2.087 -3.026 1.00 0.00 C ATOM 0 H ILE B 56 -0.449 5.872 -3.951 1.00 0.00 H new ATOM 0 HA ILE B 56 1.521 5.787 -1.766 1.00 0.00 H new ATOM 0 HB ILE B 56 1.291 3.930 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.113 3.419 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.833 4.113 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.502 2.382 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.414 3.887 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.536 3.634 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.171 1.698 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.386 2.134 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.575 1.429 -2.786 1.00 0.00 H new ATOM 846 N PHE B 57 3.525 6.470 -3.174 1.00 0.00 N ATOM 847 CA PHE B 57 4.585 7.134 -3.915 1.00 0.00 C ATOM 848 C PHE B 57 5.834 6.276 -3.962 1.00 0.00 C ATOM 849 O PHE B 57 6.242 5.712 -2.947 1.00 0.00 O ATOM 850 CB PHE B 57 4.853 8.502 -3.284 1.00 0.00 C ATOM 851 CG PHE B 57 3.564 9.254 -3.119 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.045 9.955 -4.185 1.00 0.00 C ATOM 853 CD2 PHE B 57 2.828 9.178 -1.949 1.00 0.00 C ATOM 854 CE1 PHE B 57 1.822 10.580 -4.093 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.596 9.789 -1.855 1.00 0.00 C ATOM 856 CZ PHE B 57 1.091 10.491 -2.929 1.00 0.00 C ATOM 0 H PHE B 57 3.783 6.187 -2.229 1.00 0.00 H new ATOM 0 HA PHE B 57 4.272 7.283 -4.948 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.336 8.376 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.539 9.072 -3.911 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.606 10.015 -5.106 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.222 8.635 -1.103 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.436 11.139 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.026 9.718 -0.940 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.125 10.970 -2.858 1.00 0.00 H new ATOM 866 N VAL B 58 6.432 6.163 -5.147 1.00 0.00 N ATOM 867 CA VAL B 58 7.615 5.348 -5.309 1.00 0.00 C ATOM 868 C VAL B 58 8.714 6.178 -5.943 1.00 0.00 C ATOM 869 O VAL B 58 8.457 6.970 -6.850 1.00 0.00 O ATOM 870 CB VAL B 58 7.336 4.076 -6.138 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.029 4.409 -7.591 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.508 3.113 -6.033 1.00 0.00 C ATOM 0 H VAL B 58 6.113 6.626 -5.998 1.00 0.00 H new ATOM 0 HA VAL B 58 7.936 5.012 -4.323 1.00 0.00 H new ATOM 0 HB VAL B 58 6.450 3.592 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.838 3.489 -8.143 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.149 5.050 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL B 58 7.880 4.927 -8.033 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.299 2.220 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.410 3.595 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.657 2.833 -4.990 1.00 0.00 H new ATOM 882 N ASN B 59 9.935 6.019 -5.434 1.00 0.00 N ATOM 883 CA ASN B 59 11.074 6.859 -5.812 1.00 0.00 C ATOM 884 C ASN B 59 10.825 8.288 -5.340 1.00 0.00 C ATOM 885 O ASN B 59 11.631 9.188 -5.573 1.00 0.00 O ATOM 886 CB ASN B 59 11.318 6.860 -7.328 1.00 0.00 C ATOM 887 CG ASN B 59 11.199 5.490 -7.966 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.147 4.704 -7.994 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.025 5.211 -8.505 1.00 0.00 N ATOM 0 H ASN B 59 10.164 5.302 -4.746 1.00 0.00 H new ATOM 0 HA ASN B 59 11.962 6.445 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.604 7.535 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.313 7.258 -7.527 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.876 4.314 -8.968 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.267 5.892 -8.458 1.00 0.00 H new ATOM 896 N GLY B 60 9.705 8.473 -4.650 1.00 0.00 N ATOM 897 CA GLY B 60 9.295 9.788 -4.242 1.00 0.00 C ATOM 898 C GLY B 60 8.172 10.326 -5.110 1.00 0.00 C ATOM 899 O GLY B 60 7.524 11.316 -4.768 1.00 0.00 O ATOM 0 H GLY B 60 9.074 7.723 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY B 60 8.969 9.760 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.148 10.465 -4.290 1.00 0.00 H new ATOM 903 N GLU B 61 7.939 9.647 -6.224 1.00 0.00 N ATOM 904 CA GLU B 61 6.919 10.008 -7.185 1.00 0.00 C ATOM 905 C GLU B 61 5.645 9.298 -6.831 1.00 0.00 C ATOM 906 O GLU B 61 5.670 8.419 -6.014 1.00 0.00 O ATOM 907 CB GLU B 61 7.352 9.541 -8.560 1.00 0.00 C ATOM 908 CG GLU B 61 8.226 10.516 -9.318 1.00 0.00 C ATOM 909 CD GLU B 61 9.418 10.995 -8.526 1.00 0.00 C ATOM 910 OE1 GLU B 61 10.380 10.218 -8.370 1.00 0.00 O ATOM 911 OE2 GLU B 61 9.408 12.161 -8.078 1.00 0.00 O1- ATOM 0 H GLU B 61 8.467 8.814 -6.486 1.00 0.00 H new ATOM 0 HA GLU B 61 6.771 11.088 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU B 61 7.890 8.599 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.462 9.335 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.576 10.042 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU B 61 7.626 11.377 -9.613 1.00 0.00 H new ATOM 918 N LYS B 62 4.544 9.635 -7.460 1.00 0.00 N ATOM 919 CA LYS B 62 3.326 8.865 -7.266 1.00 0.00 C ATOM 920 C LYS B 62 3.501 7.481 -7.880 1.00 0.00 C ATOM 921 O LYS B 62 4.531 7.184 -8.489 1.00 0.00 O ATOM 922 CB LYS B 62 2.129 9.609 -7.860 1.00 0.00 C ATOM 923 CG LYS B 62 0.840 9.383 -7.079 1.00 0.00 C ATOM 924 CD LYS B 62 -0.243 10.391 -7.441 1.00 0.00 C ATOM 925 CE LYS B 62 0.136 11.819 -7.073 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.823 12.808 -7.626 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.460 10.423 -8.102 1.00 0.00 H new ATOM 0 HA LYS B 62 3.130 8.741 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.349 10.676 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.984 9.287 -8.891 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.473 8.375 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.049 9.447 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.441 10.336 -8.511 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.168 10.122 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.172 11.916 -5.988 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.137 12.036 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.529 13.767 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.839 12.733 -8.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.774 12.617 -7.250 1.00 0.00 H new ATOM 940 N VAL B 63 2.569 6.602 -7.593 1.00 0.00 N ATOM 941 CA VAL B 63 2.505 5.318 -8.264 1.00 0.00 C ATOM 942 C VAL B 63 1.075 4.793 -8.265 1.00 0.00 C ATOM 943 O VAL B 63 0.746 3.863 -9.000 1.00 0.00 O ATOM 944 CB VAL B 63 3.452 4.276 -7.617 1.00 0.00 C ATOM 945 CG1 VAL B 63 2.954 3.841 -6.249 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.643 3.073 -8.530 1.00 0.00 C ATOM 0 H VAL B 63 1.840 6.751 -6.896 1.00 0.00 H new ATOM 0 HA VAL B 63 2.836 5.472 -9.291 1.00 0.00 H new ATOM 0 HB VAL B 63 4.420 4.757 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL B 63 3.643 3.110 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL B 63 2.895 4.708 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL B 63 1.965 3.393 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.312 2.357 -8.053 1.00 0.00 H new ATOM 0 HG22 VAL B 63 2.678 2.601 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.076 3.399 -9.476 1.00 0.00 H new ATOM 956 N TYR B 64 0.215 5.401 -7.451 1.00 0.00 N ATOM 957 CA TYR B 64 -1.152 4.909 -7.333 1.00 0.00 C ATOM 958 C TYR B 64 -2.068 5.931 -6.668 1.00 0.00 C ATOM 959 O TYR B 64 -1.697 6.566 -5.681 1.00 0.00 O ATOM 960 CB TYR B 64 -1.150 3.613 -6.524 1.00 0.00 C ATOM 961 CG TYR B 64 -2.223 2.608 -6.893 1.00 0.00 C ATOM 962 CD1 TYR B 64 -3.241 2.907 -7.791 1.00 0.00 C ATOM 963 CD2 TYR B 64 -2.200 1.341 -6.339 1.00 0.00 C ATOM 964 CE1 TYR B 64 -4.202 1.976 -8.117 1.00 0.00 C ATOM 965 CE2 TYR B 64 -3.153 0.401 -6.663 1.00 0.00 C ATOM 966 CZ TYR B 64 -4.156 0.722 -7.555 1.00 0.00 C ATOM 967 OH TYR B 64 -5.109 -0.212 -7.891 1.00 0.00 O ATOM 0 H TYR B 64 0.434 6.215 -6.877 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.536 4.728 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -0.176 3.136 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.260 3.864 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.279 3.888 -8.242 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -1.419 1.084 -5.638 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.989 2.230 -8.812 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -3.116 -0.584 -6.221 1.00 0.00 H new ATOM 0 HH TYR B 64 -4.670 -1.051 -8.143 1.00 0.00 H new ATOM 977 N THR B 65 -3.252 6.081 -7.236 1.00 0.00 N ATOM 978 CA THR B 65 -4.311 6.902 -6.667 1.00 0.00 C ATOM 979 C THR B 65 -5.606 6.084 -6.586 1.00 0.00 C ATOM 980 O THR B 65 -6.027 5.498 -7.584 1.00 0.00 O ATOM 981 CB THR B 65 -4.547 8.154 -7.537 1.00 0.00 C ATOM 982 OG1 THR B 65 -3.311 8.859 -7.717 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.577 9.078 -6.907 1.00 0.00 C ATOM 0 H THR B 65 -3.510 5.632 -8.115 1.00 0.00 H new ATOM 0 HA THR B 65 -4.012 7.219 -5.668 1.00 0.00 H new ATOM 0 HB THR B 65 -4.929 7.828 -8.504 1.00 0.00 H new ATOM 0 HG1 THR B 65 -3.465 9.652 -8.271 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.721 9.951 -7.544 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.523 8.548 -6.799 1.00 0.00 H new ATOM 0 HG23 THR B 65 -5.226 9.399 -5.926 1.00 0.00 H new ATOM 991 N PHE B 66 -6.227 6.027 -5.404 1.00 0.00 N ATOM 992 CA PHE B 66 -7.413 5.219 -5.199 1.00 0.00 C ATOM 993 C PHE B 66 -8.094 5.573 -3.894 1.00 0.00 C ATOM 994 O PHE B 66 -7.480 6.106 -2.967 1.00 0.00 O ATOM 995 CB PHE B 66 -7.081 3.730 -5.219 1.00 0.00 C ATOM 996 CG PHE B 66 -6.033 3.291 -4.252 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.688 3.468 -4.516 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.411 2.649 -3.095 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.734 3.003 -3.633 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.467 2.189 -2.199 1.00 0.00 C ATOM 1001 CZ PHE B 66 -4.123 2.363 -2.474 1.00 0.00 C ATOM 0 H PHE B 66 -5.919 6.537 -4.576 1.00 0.00 H new ATOM 0 HA PHE B 66 -8.095 5.434 -6.022 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.994 3.170 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.758 3.461 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.381 3.974 -5.420 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.460 2.503 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.685 3.140 -3.849 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.776 1.696 -1.289 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.378 1.998 -1.782 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.374 5.304 -3.870 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.188 5.444 -2.675 1.00 0.00 C ATOM 1013 C ASN B 67 -10.434 4.084 -2.039 1.00 0.00 C ATOM 1014 O ASN B 67 -10.301 3.054 -2.698 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.529 6.104 -3.007 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.494 7.607 -2.835 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -11.230 8.353 -3.779 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.755 8.055 -1.619 1.00 0.00 N ATOM 0 H ASN B 67 -9.893 4.977 -4.685 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.648 6.077 -1.971 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.803 5.866 -4.035 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.305 5.686 -2.365 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -11.743 9.058 -1.431 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.969 7.398 -0.868 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.813 4.081 -0.771 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.069 2.838 -0.056 1.00 0.00 C ATOM 1027 C GLU B 68 -12.387 2.223 -0.533 1.00 0.00 C ATOM 1028 O GLU B 68 -12.519 1.005 -0.663 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.130 3.108 1.443 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.974 3.943 1.970 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.680 3.169 2.144 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -7.962 2.965 1.144 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -8.359 2.802 3.298 1.00 0.00 O1- ATOM 0 H GLU B 68 -10.951 4.925 -0.214 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.260 2.136 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.066 3.617 1.672 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.147 2.155 1.973 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.799 4.774 1.287 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.259 4.374 2.930 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.355 3.096 -0.813 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.665 2.696 -1.338 1.00 0.00 C ATOM 1042 C LYS B 69 -14.515 1.967 -2.666 1.00 0.00 C ATOM 1043 O LYS B 69 -15.359 1.162 -3.056 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.516 3.935 -1.575 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.983 3.643 -1.866 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.718 3.113 -0.640 1.00 0.00 C ATOM 1047 CE LYS B 69 -17.772 4.151 0.473 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.614 3.705 1.615 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.255 4.103 -0.683 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.135 2.035 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.453 4.578 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.097 4.495 -2.411 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.471 4.553 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.054 2.914 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -18.731 2.825 -0.919 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.220 2.214 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -16.761 4.355 0.827 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -18.166 5.087 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -18.401 4.286 2.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.619 3.810 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -18.412 2.707 1.826 1.00 0.00 H new ATOM 1062 N SER B 70 -13.423 2.272 -3.345 1.00 0.00 N ATOM 1063 CA SER B 70 -13.102 1.710 -4.650 1.00 0.00 C ATOM 1064 C SER B 70 -12.791 0.230 -4.525 1.00 0.00 C ATOM 1065 O SER B 70 -12.640 -0.490 -5.509 1.00 0.00 O ATOM 1066 CB SER B 70 -11.887 2.444 -5.161 1.00 0.00 C ATOM 1067 OG SER B 70 -11.749 2.345 -6.567 1.00 0.00 O ATOM 0 H SER B 70 -12.721 2.928 -3.001 1.00 0.00 H new ATOM 0 HA SER B 70 -13.945 1.820 -5.332 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.955 3.495 -4.878 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.994 2.042 -4.682 1.00 0.00 H new ATOM 0 HG SER B 70 -10.950 2.836 -6.853 1.00 0.00 H new ATOM 1073 N THR B 71 -12.666 -0.154 -3.272 1.00 0.00 N ATOM 1074 CA THR B 71 -12.415 -1.506 -2.811 1.00 0.00 C ATOM 1075 C THR B 71 -10.965 -1.893 -3.042 1.00 0.00 C ATOM 1076 O THR B 71 -10.574 -2.359 -4.114 1.00 0.00 O ATOM 1077 CB THR B 71 -13.392 -2.566 -3.377 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.204 -2.799 -4.780 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.837 -2.166 -3.119 1.00 0.00 C ATOM 0 H THR B 71 -12.741 0.509 -2.500 1.00 0.00 H new ATOM 0 HA THR B 71 -12.609 -1.497 -1.738 1.00 0.00 H new ATOM 0 HB THR B 71 -13.170 -3.495 -2.853 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.548 -2.162 -5.132 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.503 -2.927 -3.526 1.00 0.00 H new ATOM 0 HG22 THR B 71 -15.003 -2.075 -2.046 1.00 0.00 H new ATOM 0 HG23 THR B 71 -15.041 -1.210 -3.600 1.00 0.00 H new ATOM 1087 N VAL B 72 -10.172 -1.691 -2.000 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.728 -1.835 -2.083 1.00 0.00 C ATOM 1089 C VAL B 72 -8.302 -3.282 -2.304 1.00 0.00 C ATOM 1090 O VAL B 72 -7.126 -3.553 -2.547 1.00 0.00 O ATOM 1091 CB VAL B 72 -8.040 -1.303 -0.812 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -8.429 0.144 -0.561 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -8.389 -2.177 0.383 1.00 0.00 C ATOM 0 H VAL B 72 -10.511 -1.423 -1.076 1.00 0.00 H new ATOM 0 HA VAL B 72 -8.416 -1.245 -2.945 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.960 -1.341 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -7.933 0.503 0.341 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -8.124 0.755 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -9.509 0.213 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -7.896 -1.789 1.274 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -9.468 -2.172 0.535 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -8.053 -3.197 0.198 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.245 -4.208 -2.215 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.937 -5.593 -2.485 1.00 0.00 C ATOM 1105 C GLY B 73 -8.495 -5.787 -3.921 1.00 0.00 C ATOM 1106 O GLY B 73 -7.595 -6.576 -4.207 1.00 0.00 O ATOM 0 H GLY B 73 -10.216 -4.024 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.150 -5.931 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.814 -6.209 -2.286 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.122 -5.042 -4.825 1.00 0.00 N ATOM 1111 CA ASN B 74 -8.751 -5.072 -6.234 1.00 0.00 C ATOM 1112 C ASN B 74 -7.557 -4.164 -6.455 1.00 0.00 C ATOM 1113 O ASN B 74 -6.741 -4.385 -7.351 1.00 0.00 O ATOM 1114 CB ASN B 74 -9.919 -4.626 -7.116 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.132 -5.496 -6.957 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.035 -6.695 -6.701 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.288 -4.885 -7.091 1.00 0.00 N ATOM 0 H ASN B 74 -9.891 -4.409 -4.606 1.00 0.00 H new ATOM 0 HA ASN B 74 -8.492 -6.095 -6.509 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.181 -3.597 -6.871 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -9.605 -4.635 -8.160 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.157 -5.408 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.316 -3.888 -7.304 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.472 -3.139 -5.620 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.339 -2.235 -5.604 1.00 0.00 C ATOM 1126 C ILE B 75 -5.043 -2.991 -5.350 1.00 0.00 C ATOM 1127 O ILE B 75 -4.140 -3.000 -6.183 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.528 -1.192 -4.506 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -7.800 -0.392 -4.775 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -5.317 -0.289 -4.402 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -7.722 0.504 -5.978 1.00 0.00 C ATOM 0 H ILE B 75 -8.191 -2.913 -4.933 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.279 -1.749 -6.578 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.633 -1.699 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.631 -1.085 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.026 0.215 -3.898 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -5.477 0.445 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -4.436 -0.887 -4.168 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -5.165 0.226 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -8.666 1.036 -6.098 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -6.915 1.224 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.529 -0.096 -6.867 1.00 0.00 H new ATOM 1143 N SER B 76 -4.979 -3.645 -4.197 1.00 0.00 N ATOM 1144 CA SER B 76 -3.786 -4.371 -3.783 1.00 0.00 C ATOM 1145 C SER B 76 -3.478 -5.490 -4.768 1.00 0.00 C ATOM 1146 O SER B 76 -2.316 -5.819 -5.010 1.00 0.00 O ATOM 1147 CB SER B 76 -3.972 -4.927 -2.371 1.00 0.00 C ATOM 1148 OG SER B 76 -2.763 -5.460 -1.862 1.00 0.00 O ATOM 0 H SER B 76 -5.747 -3.687 -3.527 1.00 0.00 H new ATOM 0 HA SER B 76 -2.940 -3.683 -3.774 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.329 -4.136 -1.711 1.00 0.00 H new ATOM 0 HB3 SER B 76 -4.737 -5.703 -2.382 1.00 0.00 H new ATOM 0 HG SER B 76 -2.346 -4.808 -1.261 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.532 -6.053 -5.342 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.407 -7.059 -6.391 1.00 0.00 C ATOM 1156 C ASN B 77 -3.495 -6.548 -7.493 1.00 0.00 C ATOM 1157 O ASN B 77 -2.555 -7.222 -7.918 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.781 -7.334 -6.983 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.834 -8.617 -7.791 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.138 -9.587 -7.489 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.655 -8.631 -8.828 1.00 0.00 N ATOM 0 H ASN B 77 -5.496 -5.827 -5.096 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.988 -7.970 -5.964 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.513 -7.388 -6.177 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.070 -6.498 -7.620 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.728 -9.466 -9.410 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.215 -7.807 -9.046 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.793 -5.340 -7.937 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.005 -4.673 -8.973 1.00 0.00 C ATOM 1170 C ASP B 78 -1.658 -4.183 -8.447 1.00 0.00 C ATOM 1171 O ASP B 78 -0.672 -4.187 -9.181 1.00 0.00 O ATOM 1172 CB ASP B 78 -3.779 -3.502 -9.576 1.00 0.00 C ATOM 1173 CG ASP B 78 -4.308 -3.812 -10.959 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -3.496 -3.907 -11.900 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -5.539 -3.946 -11.120 1.00 0.00 O1- ATOM 0 H ASP B 78 -4.582 -4.791 -7.596 1.00 0.00 H new ATOM 0 HA ASP B 78 -2.813 -5.416 -9.747 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.611 -3.244 -8.921 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.130 -2.628 -9.626 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.609 -3.746 -7.190 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.349 -3.329 -6.579 1.00 0.00 C ATOM 1182 C ILE B 79 0.680 -4.456 -6.655 1.00 0.00 C ATOM 1183 O ILE B 79 1.873 -4.220 -6.851 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.557 -2.909 -5.113 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.566 -1.785 -5.047 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.753 -2.484 -4.471 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.831 -1.281 -3.650 1.00 0.00 C ATOM 0 H ILE B 79 -2.422 -3.672 -6.578 1.00 0.00 H new ATOM 0 HA ILE B 79 0.023 -2.468 -7.135 1.00 0.00 H new ATOM 0 HB ILE B 79 -0.934 -3.767 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.212 -0.956 -5.660 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.505 -2.127 -5.483 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.573 -2.193 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.458 -3.315 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.169 -1.638 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.565 -0.476 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -2.216 -2.095 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.904 -0.907 -3.216 1.00 0.00 H new ATOM 1199 N ASN B 80 0.187 -5.683 -6.536 1.00 0.00 N ATOM 1200 CA ASN B 80 1.020 -6.881 -6.640 1.00 0.00 C ATOM 1201 C ASN B 80 1.776 -6.945 -7.970 1.00 0.00 C ATOM 1202 O ASN B 80 2.856 -7.530 -8.043 1.00 0.00 O ATOM 1203 CB ASN B 80 0.161 -8.144 -6.500 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.017 -8.608 -5.064 1.00 0.00 C ATOM 1205 OD1 ASN B 80 0.732 -9.454 -4.576 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.009 -8.069 -4.379 1.00 0.00 N ATOM 0 H ASN B 80 -0.799 -5.878 -6.365 1.00 0.00 H new ATOM 0 HA ASN B 80 1.748 -6.828 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.820 -7.955 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.617 -8.948 -7.078 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -1.174 -8.351 -3.413 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -1.610 -7.370 -4.816 1.00 0.00 H new ATOM 1213 N LYS B 81 1.223 -6.343 -9.020 1.00 0.00 N ATOM 1214 CA LYS B 81 1.780 -6.519 -10.356 1.00 0.00 C ATOM 1215 C LYS B 81 2.706 -5.367 -10.762 1.00 0.00 C ATOM 1216 O LYS B 81 3.369 -5.440 -11.795 1.00 0.00 O ATOM 1217 CB LYS B 81 0.648 -6.742 -11.393 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.190 -5.525 -11.773 1.00 0.00 C ATOM 1219 CD LYS B 81 0.522 -4.592 -12.746 1.00 0.00 C ATOM 1220 CE LYS B 81 -0.440 -3.631 -13.431 1.00 0.00 C ATOM 1221 NZ LYS B 81 -1.193 -2.791 -12.464 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.403 -5.739 -8.973 1.00 0.00 H new ATOM 0 HA LYS B 81 2.403 -7.413 -10.335 1.00 0.00 H new ATOM 0 HB2 LYS B 81 1.095 -7.143 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.023 -7.508 -11.003 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.126 -5.860 -12.219 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.447 -4.972 -10.870 1.00 0.00 H new ATOM 0 HD2 LYS B 81 1.282 -4.023 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS B 81 1.040 -5.184 -13.501 1.00 0.00 H new ATOM 0 HE2 LYS B 81 0.118 -2.986 -14.109 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -1.144 -4.199 -14.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -2.191 -3.082 -12.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -0.789 -2.910 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -1.126 -1.792 -12.746 1.00 0.00 H new ATOM 1235 N LEU B 82 2.799 -4.327 -9.936 1.00 0.00 N ATOM 1236 CA LEU B 82 3.565 -3.134 -10.312 1.00 0.00 C ATOM 1237 C LEU B 82 5.046 -3.452 -10.364 1.00 0.00 C ATOM 1238 O LEU B 82 5.817 -2.773 -11.045 1.00 0.00 O ATOM 1239 CB LEU B 82 3.365 -1.989 -9.313 1.00 0.00 C ATOM 1240 CG LEU B 82 1.925 -1.663 -8.944 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.872 -0.463 -8.012 1.00 0.00 C ATOM 1242 CD2 LEU B 82 1.085 -1.414 -10.187 1.00 0.00 C ATOM 0 H LEU B 82 2.362 -4.282 -9.015 1.00 0.00 H new ATOM 0 HA LEU B 82 3.201 -2.824 -11.292 1.00 0.00 H new ATOM 0 HB2 LEU B 82 3.906 -2.234 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.825 -1.091 -9.725 1.00 0.00 H new ATOM 0 HG LEU B 82 1.507 -2.524 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.835 -0.244 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.429 -0.685 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.315 0.402 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU B 82 0.061 -1.183 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU B 82 1.500 -0.575 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU B 82 1.091 -2.305 -10.815 1.00 0.00 H new ATOM 1254 N ASN B 83 5.418 -4.514 -9.665 1.00 0.00 N ATOM 1255 CA ASN B 83 6.809 -4.792 -9.369 1.00 0.00 C ATOM 1256 C ASN B 83 7.440 -3.533 -8.780 1.00 0.00 C ATOM 1257 O ASN B 83 8.311 -2.900 -9.386 1.00 0.00 O ATOM 1258 CB ASN B 83 7.543 -5.267 -10.624 1.00 0.00 C ATOM 1259 CG ASN B 83 8.937 -5.793 -10.330 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.925 -5.064 -10.418 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.021 -7.062 -9.974 1.00 0.00 N ATOM 0 H ASN B 83 4.765 -5.202 -9.290 1.00 0.00 H new ATOM 0 HA ASN B 83 6.885 -5.598 -8.639 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.959 -6.051 -11.106 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.614 -4.441 -11.332 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.930 -7.472 -9.760 1.00 0.00 H new ATOM 0 HD22 ASN B 83 8.177 -7.632 -9.913 1.00 0.00 H new ATOM 1268 N ILE B 84 6.937 -3.161 -7.607 1.00 0.00 N ATOM 1269 CA ILE B 84 7.293 -1.912 -6.948 1.00 0.00 C ATOM 1270 C ILE B 84 8.791 -1.836 -6.659 1.00 0.00 C ATOM 1271 O ILE B 84 9.477 -2.849 -6.616 1.00 0.00 O ATOM 1272 CB ILE B 84 6.493 -1.781 -5.639 1.00 0.00 C ATOM 1273 CG1 ILE B 84 5.016 -1.800 -5.970 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.838 -0.501 -4.885 1.00 0.00 C ATOM 1275 CD1 ILE B 84 4.142 -2.042 -4.773 1.00 0.00 C ATOM 0 H ILE B 84 6.266 -3.723 -7.084 1.00 0.00 H new ATOM 0 HA ILE B 84 7.046 -1.088 -7.617 1.00 0.00 H new ATOM 0 HB ILE B 84 6.752 -2.618 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.741 -0.849 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.827 -2.576 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.251 -0.449 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.899 -0.500 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.611 0.362 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE B 84 3.096 -2.043 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE B 84 4.391 -3.006 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.303 -1.252 -4.039 1.00 0.00 H new ATOM 1287 N LYS B 85 9.301 -0.630 -6.501 1.00 0.00 N ATOM 1288 CA LYS B 85 10.695 -0.444 -6.134 1.00 0.00 C ATOM 1289 C LYS B 85 10.809 -0.140 -4.651 1.00 0.00 C ATOM 1290 O LYS B 85 9.837 -0.229 -3.907 1.00 0.00 O ATOM 1291 CB LYS B 85 11.305 0.717 -6.912 1.00 0.00 C ATOM 1292 CG LYS B 85 10.819 0.839 -8.340 1.00 0.00 C ATOM 1293 CD LYS B 85 11.150 -0.387 -9.178 1.00 0.00 C ATOM 1294 CE LYS B 85 12.649 -0.604 -9.298 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.966 -1.778 -10.151 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.774 0.235 -6.620 1.00 0.00 H new ATOM 0 HA LYS B 85 11.229 -1.364 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS B 85 11.085 1.646 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.389 0.604 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS B 85 9.740 0.994 -8.341 1.00 0.00 H new ATOM 0 HG3 LYS B 85 11.268 1.720 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS B 85 10.691 -1.268 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS B 85 10.719 -0.274 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS B 85 13.114 0.288 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS B 85 13.077 -0.749 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 13.998 -1.896 -10.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 12.543 -2.633 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 12.579 -1.629 -11.105 1.00 0.00 H new ATOM 1309 N GLY B 86 11.994 0.262 -4.241 1.00 0.00 N ATOM 1310 CA GLY B 86 12.217 0.577 -2.849 1.00 0.00 C ATOM 1311 C GLY B 86 13.301 1.612 -2.665 1.00 0.00 C ATOM 1312 O GLY B 86 14.469 1.350 -2.947 1.00 0.00 O ATOM 0 H GLY B 86 12.808 0.377 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.290 0.942 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.489 -0.331 -2.312 1.00 0.00 H new ATOM 1316 N MET B 87 12.908 2.789 -2.186 1.00 0.00 N ATOM 1317 CA MET B 87 13.844 3.875 -1.905 1.00 0.00 C ATOM 1318 C MET B 87 13.115 5.043 -1.238 1.00 0.00 C ATOM 1319 O MET B 87 13.504 5.478 -0.157 1.00 0.00 O ATOM 1320 CB MET B 87 14.590 4.323 -3.175 1.00 0.00 C ATOM 1321 CG MET B 87 13.694 4.686 -4.349 1.00 0.00 C ATOM 1322 SD MET B 87 14.616 4.927 -5.878 1.00 0.00 S ATOM 1323 CE MET B 87 15.303 3.291 -6.132 1.00 0.00 C ATOM 0 H MET B 87 11.935 3.017 -1.982 1.00 0.00 H new ATOM 0 HA MET B 87 14.599 3.504 -1.212 1.00 0.00 H new ATOM 0 HB2 MET B 87 15.210 5.185 -2.930 1.00 0.00 H new ATOM 0 HB3 MET B 87 15.264 3.524 -3.484 1.00 0.00 H new ATOM 0 HG2 MET B 87 12.956 3.897 -4.495 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.144 5.597 -4.113 1.00 0.00 H new ATOM 0 HE1 MET B 87 15.490 3.136 -7.195 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.240 3.200 -5.582 1.00 0.00 H new ATOM 0 HE3 MET B 87 14.598 2.541 -5.774 1.00 0.00 H new ATOM 1333 N TYR B 88 12.048 5.541 -1.864 1.00 0.00 N ATOM 1334 CA TYR B 88 11.205 6.538 -1.236 1.00 0.00 C ATOM 1335 C TYR B 88 9.748 6.143 -1.433 1.00 0.00 C ATOM 1336 O TYR B 88 9.072 6.631 -2.338 1.00 0.00 O ATOM 1337 CB TYR B 88 11.478 7.925 -1.829 1.00 0.00 C ATOM 1338 CG TYR B 88 11.117 9.072 -0.908 1.00 0.00 C ATOM 1339 CD1 TYR B 88 9.803 9.491 -0.757 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.101 9.739 -0.191 1.00 0.00 C ATOM 1341 CE1 TYR B 88 9.480 10.540 0.084 1.00 0.00 C ATOM 1342 CE2 TYR B 88 11.785 10.786 0.652 1.00 0.00 C ATOM 1343 CZ TYR B 88 10.474 11.183 0.787 1.00 0.00 C ATOM 1344 OH TYR B 88 10.155 12.226 1.628 1.00 0.00 O ATOM 0 H TYR B 88 11.754 5.267 -2.802 1.00 0.00 H new ATOM 0 HA TYR B 88 11.426 6.586 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR B 88 12.535 7.997 -2.085 1.00 0.00 H new ATOM 0 HB3 TYR B 88 10.917 8.028 -2.758 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.019 8.989 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.132 9.434 -0.294 1.00 0.00 H new ATOM 0 HE1 TYR B 88 8.452 10.854 0.189 1.00 0.00 H new ATOM 0 HE2 TYR B 88 12.564 11.292 1.204 1.00 0.00 H new ATOM 0 HH TYR B 88 10.971 12.569 2.049 1.00 0.00 H new ATOM 1354 N ILE B 89 9.297 5.210 -0.609 1.00 0.00 N ATOM 1355 CA ILE B 89 7.914 4.757 -0.624 1.00 0.00 C ATOM 1356 C ILE B 89 7.097 5.528 0.407 1.00 0.00 C ATOM 1357 O ILE B 89 7.347 5.415 1.606 1.00 0.00 O ATOM 1358 CB ILE B 89 7.814 3.250 -0.295 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.772 2.433 -1.160 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.383 2.757 -0.475 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.510 2.563 -2.637 1.00 0.00 C ATOM 0 H ILE B 89 9.878 4.746 0.089 1.00 0.00 H new ATOM 0 HA ILE B 89 7.524 4.933 -1.627 1.00 0.00 H new ATOM 0 HB ILE B 89 8.101 3.114 0.748 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.795 2.748 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.698 1.383 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.332 1.694 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.721 3.309 0.192 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.071 2.915 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.228 1.956 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.499 2.221 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.613 3.607 -2.934 1.00 0.00 H new ATOM 1373 N GLU B 90 6.137 6.312 -0.055 1.00 0.00 N ATOM 1374 CA GLU B 90 5.288 7.079 0.849 1.00 0.00 C ATOM 1375 C GLU B 90 3.868 6.540 0.868 1.00 0.00 C ATOM 1376 O GLU B 90 3.360 6.051 -0.143 1.00 0.00 O ATOM 1377 CB GLU B 90 5.261 8.553 0.462 1.00 0.00 C ATOM 1378 CG GLU B 90 6.525 9.312 0.821 1.00 0.00 C ATOM 1379 CD GLU B 90 6.774 9.379 2.315 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.120 10.195 2.995 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.641 8.633 2.817 1.00 0.00 O1- ATOM 0 H GLU B 90 5.925 6.436 -1.045 1.00 0.00 H new ATOM 0 HA GLU B 90 5.717 6.979 1.846 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.095 8.632 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.412 9.030 0.951 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.378 8.835 0.338 1.00 0.00 H new ATOM 0 HG3 GLU B 90 6.459 10.325 0.424 1.00 0.00 H new ATOM 1388 N ILE B 91 3.245 6.639 2.034 1.00 0.00 N ATOM 1389 CA ILE B 91 1.871 6.211 2.228 1.00 0.00 C ATOM 1390 C ILE B 91 1.110 7.314 2.944 1.00 0.00 C ATOM 1391 O ILE B 91 1.311 7.543 4.139 1.00 0.00 O ATOM 1392 CB ILE B 91 1.780 4.923 3.076 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.593 3.786 2.464 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.343 4.488 3.262 1.00 0.00 C ATOM 1395 CD1 ILE B 91 4.027 3.756 2.933 1.00 0.00 C ATOM 0 H ILE B 91 3.682 7.020 2.873 1.00 0.00 H new ATOM 0 HA ILE B 91 1.443 6.004 1.247 1.00 0.00 H new ATOM 0 HB ILE B 91 2.203 5.158 4.053 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.118 2.836 2.710 1.00 0.00 H new ATOM 0 HG13 ILE B 91 2.575 3.880 1.378 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.313 3.579 3.863 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -0.213 5.277 3.769 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.107 4.294 2.288 1.00 0.00 H new ATOM 0 HD11 ILE B 91 4.547 2.924 2.459 1.00 0.00 H new ATOM 0 HD12 ILE B 91 4.518 4.691 2.663 1.00 0.00 H new ATOM 0 HD13 ILE B 91 4.053 3.631 4.016 1.00 0.00 H new ATOM 1407 N LYS B 92 0.245 7.996 2.220 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.417 9.176 2.754 1.00 0.00 C ATOM 1409 C LYS B 92 -1.570 9.615 1.867 1.00 0.00 C ATOM 1410 O LYS B 92 -1.751 9.101 0.765 1.00 0.00 O ATOM 1411 CB LYS B 92 0.589 10.317 2.846 1.00 0.00 C ATOM 1412 CG LYS B 92 1.085 10.745 1.483 1.00 0.00 C ATOM 1413 CD LYS B 92 2.183 11.774 1.596 1.00 0.00 C ATOM 1414 CE LYS B 92 2.353 12.544 0.299 1.00 0.00 C ATOM 1415 NZ LYS B 92 1.127 13.314 -0.053 1.00 0.00 N1+ ATOM 0 H LYS B 92 -0.017 7.757 1.264 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.811 8.926 3.739 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.128 11.168 3.348 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.435 10.006 3.459 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.453 9.876 0.938 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.257 11.156 0.905 1.00 0.00 H new ATOM 0 HD2 LYS B 92 1.953 12.467 2.405 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.120 11.282 1.855 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.197 13.227 0.390 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.590 11.850 -0.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 1.366 14.048 -0.750 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 0.417 12.671 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 0.741 13.762 0.803 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.321 10.588 2.356 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.397 11.207 1.610 1.00 0.00 C ATOM 1431 C GLN B 93 -2.864 12.049 0.451 1.00 0.00 C ATOM 1432 O GLN B 93 -1.667 12.356 0.373 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.270 12.044 2.554 1.00 0.00 C ATOM 1434 CG GLN B 93 -3.531 12.621 3.760 1.00 0.00 C ATOM 1435 CD GLN B 93 -2.476 13.649 3.398 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.624 14.400 2.435 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -1.394 13.673 4.159 1.00 0.00 N ATOM 0 H GLN B 93 -2.197 10.972 3.293 1.00 0.00 H new ATOM 0 HA GLN B 93 -4.012 10.420 1.172 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.711 12.865 1.988 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.093 11.425 2.911 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.256 13.079 4.433 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -3.058 11.806 4.308 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -1.311 13.032 4.949 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -0.642 14.332 3.956 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.764 12.389 -0.451 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.429 13.112 -1.659 1.00 0.00 C ATOM 1448 C ILE B 94 -4.161 14.448 -1.729 1.00 0.00 C ATOM 1449 O ILE B 94 -5.244 14.520 -2.350 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.769 12.247 -2.882 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -5.075 11.483 -2.626 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.633 11.282 -3.144 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.489 10.563 -3.756 1.00 0.00 C ATOM 1454 OXT ILE B 94 -3.653 15.429 -1.150 1.00 0.00 O ATOM 0 H ILE B 94 -4.756 12.169 -0.364 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.360 13.326 -1.651 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.903 12.882 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.966 10.894 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.874 12.202 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.871 10.667 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.717 11.841 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.491 10.642 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -6.421 10.062 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.633 11.146 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -4.711 9.818 -3.922 1.00 0.00 H new