USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 641 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: D 53 ASN : amide:sc= -2.82! K(o=-3.6!,f=-0.77) USER MOD Set 1.2: D 67 ASN : amide:sc= -0.786 K(o=-3.6,f=-5.2!) USER MOD Set 2.1: D 32 ASN : amide:sc= -0.56 K(o=-4.5,f=-2.2) USER MOD Set 2.2: D 35 GLN : amide:sc= -3.99! C(o=-4.5!,f=-2.2!) USER MOD Set 3.1: D 17 ASN : amide:sc= -3.91! K(o=-3.7!,f=0.14) USER MOD Set 3.2: D 28 SER OG : rot 55:sc= 0.163 USER MOD Single : D 14 ASN : amide:sc= -1.7! K(o=-1.7!,f=-0.011) USER MOD Single : D 15 SER OG : rot 180:sc= 0 USER MOD Single : D 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0201) USER MOD Single : D 21 ASN : amide:sc= -2.14 K(o=-2.1,f=-0.12) USER MOD Single : D 22 LYS NZ :NH3+ 135:sc= 1.19 (180deg=-0.727) USER MOD Single : D 24 LYS NZ :NH3+ -118:sc= -0.672 (180deg=-1.23) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl 180:sc= -0.0107 (180deg=-0.0107) USER MOD Single : D 34 ASN : amide:sc=-0.000402 X(o=-0.0004,f=0) USER MOD Single : D 37 LYS NZ :NH3+ 136:sc= -2.88! (180deg=-5.81!) USER MOD Single : D 39 THR OG1 : rot 180:sc= -2.95! USER MOD Single : D 40 SER OG : rot 106:sc= -4.9! USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.821 K(o=-0.82,f=-0.17) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= -0.0372 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ -155:sc= -0.58 (180deg=-1.15) USER MOD Single : D 59 ASN : amide:sc= -1.51! C(o=-1.5!,f=-4.6!) USER MOD Single : D 62 LYS NZ :NH3+ -150:sc= -2.2! (180deg=-4.46!) USER MOD Single : D 64 TYR OH : rot 180:sc= 0 USER MOD Single : D 65 THR OG1 : rot 130:sc= -1.99! USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 71 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : D 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 76 SER OG : rot -140:sc= -0.0508 USER MOD Single : D 77 ASN : amide:sc= -3.67! K(o=-3.7!,f=-0.19) USER MOD Single : D 80 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.029) USER MOD Single : D 81 LYS NZ :NH3+ -140:sc= 0.676 (180deg=0.049) USER MOD Single : D 83 ASN : amide:sc= -5.28! K(o=-5.3!,f=-0.82) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -160:sc= -0.122 (180deg=-0.489) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 184 N ILE D 13 6.409 4.740 3.427 1.00 0.00 N ATOM 185 CA ILE D 13 5.437 3.758 3.861 1.00 0.00 C ATOM 186 C ILE D 13 4.666 4.268 5.076 1.00 0.00 C ATOM 187 O ILE D 13 3.652 3.708 5.477 1.00 0.00 O ATOM 188 CB ILE D 13 6.177 2.457 4.175 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.023 2.083 2.972 1.00 0.00 C ATOM 190 CG2 ILE D 13 5.226 1.326 4.540 1.00 0.00 C ATOM 191 CD1 ILE D 13 7.855 0.835 3.168 1.00 0.00 C ATOM 0 HA ILE D 13 4.706 3.577 3.073 1.00 0.00 H new ATOM 0 HB ILE D 13 6.811 2.617 5.047 1.00 0.00 H new ATOM 0 HG12 ILE D 13 6.369 1.940 2.112 1.00 0.00 H new ATOM 0 HG13 ILE D 13 7.686 2.915 2.734 1.00 0.00 H new ATOM 0 HG21 ILE D 13 5.799 0.424 4.754 1.00 0.00 H new ATOM 0 HG22 ILE D 13 4.648 1.607 5.421 1.00 0.00 H new ATOM 0 HG23 ILE D 13 4.549 1.137 3.707 1.00 0.00 H new ATOM 0 HD11 ILE D 13 8.430 0.636 2.264 1.00 0.00 H new ATOM 0 HD12 ILE D 13 8.536 0.980 4.007 1.00 0.00 H new ATOM 0 HD13 ILE D 13 7.199 -0.011 3.375 1.00 0.00 H new ATOM 203 N ASN D 14 5.117 5.383 5.614 1.00 0.00 N ATOM 204 CA ASN D 14 4.411 6.017 6.733 1.00 0.00 C ATOM 205 C ASN D 14 3.287 6.928 6.236 1.00 0.00 C ATOM 206 O ASN D 14 2.110 6.682 6.506 1.00 0.00 O ATOM 207 CB ASN D 14 5.369 6.800 7.637 1.00 0.00 C ATOM 208 CG ASN D 14 6.355 5.914 8.378 1.00 0.00 C ATOM 209 OD1 ASN D 14 7.178 6.400 9.155 1.00 0.00 O ATOM 210 ND2 ASN D 14 6.279 4.611 8.156 1.00 0.00 N ATOM 0 H ASN D 14 5.958 5.872 5.307 1.00 0.00 H new ATOM 0 HA ASN D 14 3.969 5.215 7.325 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.921 7.520 7.033 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.789 7.371 8.362 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.915 3.974 8.636 1.00 0.00 H new ATOM 0 HD22 ASN D 14 5.584 4.244 7.505 1.00 0.00 H new ATOM 217 N SER D 15 3.637 7.928 5.433 1.00 0.00 N ATOM 218 CA SER D 15 2.635 8.796 4.828 1.00 0.00 C ATOM 219 C SER D 15 1.815 8.022 3.805 1.00 0.00 C ATOM 220 O SER D 15 0.753 8.476 3.386 1.00 0.00 O ATOM 221 CB SER D 15 3.244 10.040 4.178 1.00 0.00 C ATOM 222 OG SER D 15 4.064 9.706 3.069 1.00 0.00 O ATOM 0 H SER D 15 4.601 8.156 5.188 1.00 0.00 H new ATOM 0 HA SER D 15 1.988 9.140 5.635 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.446 10.708 3.852 1.00 0.00 H new ATOM 0 HB3 SER D 15 3.834 10.584 4.916 1.00 0.00 H new ATOM 0 HG SER D 15 4.435 10.525 2.678 1.00 0.00 H new ATOM 228 N VAL D 16 2.294 6.831 3.417 1.00 0.00 N ATOM 229 CA VAL D 16 1.557 5.999 2.477 1.00 0.00 C ATOM 230 C VAL D 16 0.221 5.631 3.109 1.00 0.00 C ATOM 231 O VAL D 16 -0.776 5.415 2.427 1.00 0.00 O ATOM 232 CB VAL D 16 2.318 4.701 2.093 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.047 3.560 3.061 1.00 0.00 C ATOM 234 CG2 VAL D 16 2.002 4.270 0.682 1.00 0.00 C ATOM 0 H VAL D 16 3.177 6.433 3.739 1.00 0.00 H new ATOM 0 HA VAL D 16 1.422 6.570 1.559 1.00 0.00 H new ATOM 0 HB VAL D 16 3.379 4.943 2.155 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.603 2.677 2.747 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.363 3.850 4.063 1.00 0.00 H new ATOM 0 HG13 VAL D 16 0.981 3.334 3.068 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.552 3.359 0.448 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.932 4.082 0.590 1.00 0.00 H new ATOM 0 HG23 VAL D 16 2.293 5.058 -0.013 1.00 0.00 H new ATOM 244 N ASN D 17 0.222 5.639 4.440 1.00 0.00 N ATOM 245 CA ASN D 17 -0.973 5.375 5.227 1.00 0.00 C ATOM 246 C ASN D 17 -1.882 6.576 5.139 1.00 0.00 C ATOM 247 O ASN D 17 -3.089 6.450 5.017 1.00 0.00 O ATOM 248 CB ASN D 17 -0.629 5.147 6.710 1.00 0.00 C ATOM 249 CG ASN D 17 0.331 3.998 6.976 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.672 3.724 8.126 1.00 0.00 O ATOM 251 ND2 ASN D 17 0.789 3.329 5.932 1.00 0.00 N ATOM 0 H ASN D 17 1.053 5.829 5.000 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.451 4.478 4.833 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.196 6.063 7.112 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.553 4.963 7.258 1.00 0.00 H new ATOM 0 HD21 ASN D 17 1.445 2.560 6.067 1.00 0.00 H new ATOM 0 HD22 ASN D 17 0.486 3.582 4.991 1.00 0.00 H new ATOM 258 N ASP D 18 -1.266 7.747 5.232 1.00 0.00 N ATOM 259 CA ASP D 18 -1.974 9.027 5.204 1.00 0.00 C ATOM 260 C ASP D 18 -2.776 9.235 3.917 1.00 0.00 C ATOM 261 O ASP D 18 -3.624 10.123 3.854 1.00 0.00 O ATOM 262 CB ASP D 18 -0.975 10.179 5.374 1.00 0.00 C ATOM 263 CG ASP D 18 -0.325 10.197 6.738 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.388 9.233 7.078 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.541 11.174 7.479 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.255 7.840 5.330 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.684 9.013 6.031 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.202 10.099 4.610 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.489 11.126 5.209 1.00 0.00 H new ATOM 270 N LYS D 19 -2.510 8.433 2.895 1.00 0.00 N ATOM 271 CA LYS D 19 -3.217 8.558 1.628 1.00 0.00 C ATOM 272 C LYS D 19 -4.420 7.668 1.657 1.00 0.00 C ATOM 273 O LYS D 19 -5.529 8.027 1.281 1.00 0.00 O ATOM 274 CB LYS D 19 -2.320 8.120 0.529 1.00 0.00 C ATOM 275 CG LYS D 19 -1.024 8.848 0.628 1.00 0.00 C ATOM 276 CD LYS D 19 0.013 8.159 -0.164 1.00 0.00 C ATOM 277 CE LYS D 19 1.368 8.585 0.336 1.00 0.00 C ATOM 278 NZ LYS D 19 1.657 10.010 0.023 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.811 7.690 2.918 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.520 9.593 1.470 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.151 7.045 0.589 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.787 8.316 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.145 9.870 0.270 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -0.713 8.910 1.671 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.100 7.079 -0.075 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.094 8.404 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.420 8.433 1.414 1.00 0.00 H new ATOM 0 HE3 LYS D 19 2.135 7.953 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.631 10.238 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.550 10.170 -0.999 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 0.993 10.621 0.540 1.00 0.00 H new ATOM 292 N LEU D 20 -4.138 6.479 2.121 1.00 0.00 N ATOM 293 CA LEU D 20 -5.104 5.430 2.254 1.00 0.00 C ATOM 294 C LEU D 20 -6.132 5.807 3.311 1.00 0.00 C ATOM 295 O LEU D 20 -7.321 5.523 3.185 1.00 0.00 O ATOM 296 CB LEU D 20 -4.345 4.187 2.674 1.00 0.00 C ATOM 297 CG LEU D 20 -3.183 3.807 1.749 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.393 2.642 2.312 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.694 3.473 0.356 1.00 0.00 C ATOM 0 H LEU D 20 -3.202 6.210 2.424 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.636 5.260 1.318 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.956 4.337 3.681 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -5.042 3.350 2.723 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.517 4.667 1.681 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.576 2.395 1.634 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.987 2.915 3.286 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -3.048 1.777 2.421 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.854 3.206 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.387 2.634 0.414 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.207 4.340 -0.061 1.00 0.00 H new ATOM 311 N ASN D 21 -5.646 6.476 4.350 1.00 0.00 N ATOM 312 CA ASN D 21 -6.482 6.941 5.445 1.00 0.00 C ATOM 313 C ASN D 21 -7.299 8.155 5.012 1.00 0.00 C ATOM 314 O ASN D 21 -6.786 9.276 5.036 1.00 0.00 O ATOM 315 CB ASN D 21 -5.622 7.337 6.658 1.00 0.00 C ATOM 316 CG ASN D 21 -4.940 6.176 7.367 1.00 0.00 C ATOM 317 OD1 ASN D 21 -4.272 6.377 8.382 1.00 0.00 O ATOM 318 ND2 ASN D 21 -5.069 4.967 6.839 1.00 0.00 N ATOM 0 H ASN D 21 -4.659 6.711 4.455 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.149 6.124 5.722 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.858 8.042 6.329 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -6.252 7.862 7.376 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -4.607 4.168 7.274 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -5.630 4.835 5.997 1.00 0.00 H new ATOM 325 N LYS D 22 -8.537 7.954 4.557 1.00 0.00 N ATOM 326 CA LYS D 22 -9.319 9.095 4.065 1.00 0.00 C ATOM 327 C LYS D 22 -10.657 9.321 4.770 1.00 0.00 C ATOM 328 O LYS D 22 -11.015 10.469 5.033 1.00 0.00 O ATOM 329 CB LYS D 22 -9.522 9.007 2.552 1.00 0.00 C ATOM 330 CG LYS D 22 -8.333 9.534 1.758 1.00 0.00 C ATOM 331 CD LYS D 22 -8.550 9.380 0.263 1.00 0.00 C ATOM 332 CE LYS D 22 -7.610 10.271 -0.541 1.00 0.00 C ATOM 333 NZ LYS D 22 -6.183 10.036 -0.214 1.00 0.00 N1+ ATOM 0 H LYS D 22 -9.008 7.050 4.518 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.715 9.968 4.311 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.704 7.968 2.276 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.413 9.571 2.278 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -8.172 10.585 1.997 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.431 8.998 2.053 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.396 8.339 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.583 9.627 0.018 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -7.769 10.094 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -7.855 11.316 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -5.630 9.982 -1.093 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -5.828 10.819 0.372 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -6.089 9.142 0.309 1.00 0.00 H new ATOM 347 N GLY D 23 -11.424 8.273 5.031 1.00 0.00 N ATOM 348 CA GLY D 23 -12.715 8.482 5.639 1.00 0.00 C ATOM 349 C GLY D 23 -13.565 7.234 5.700 1.00 0.00 C ATOM 350 O GLY D 23 -13.515 6.510 6.693 1.00 0.00 O ATOM 0 H GLY D 23 -11.180 7.302 4.836 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.573 8.865 6.650 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -13.251 9.249 5.080 1.00 0.00 H new ATOM 354 N LYS D 24 -14.336 6.976 4.634 1.00 0.00 N ATOM 355 CA LYS D 24 -15.193 5.785 4.565 1.00 0.00 C ATOM 356 C LYS D 24 -14.387 4.569 4.966 1.00 0.00 C ATOM 357 O LYS D 24 -14.744 3.823 5.876 1.00 0.00 O ATOM 358 CB LYS D 24 -15.715 5.571 3.140 1.00 0.00 C ATOM 359 CG LYS D 24 -16.726 4.440 3.017 1.00 0.00 C ATOM 360 CD LYS D 24 -18.160 4.958 3.021 1.00 0.00 C ATOM 361 CE LYS D 24 -18.487 5.820 4.230 1.00 0.00 C ATOM 362 NZ LYS D 24 -18.342 5.082 5.515 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.383 7.575 3.810 1.00 0.00 H new ATOM 0 HA LYS D 24 -16.038 5.929 5.238 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.174 6.495 2.789 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.871 5.364 2.482 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.542 3.887 2.096 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -16.590 3.740 3.842 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -18.332 5.537 2.114 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -18.845 4.110 2.992 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -17.831 6.690 4.239 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.508 6.191 4.142 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.262 5.041 5.997 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -18.007 4.116 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -17.655 5.573 6.122 1.00 0.00 H new ATOM 376 N GLY D 25 -13.272 4.423 4.290 1.00 0.00 N ATOM 377 CA GLY D 25 -12.353 3.360 4.553 1.00 0.00 C ATOM 378 C GLY D 25 -10.955 3.779 4.253 1.00 0.00 C ATOM 379 O GLY D 25 -10.724 4.831 3.653 1.00 0.00 O ATOM 0 H GLY D 25 -12.982 5.048 3.538 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.430 3.057 5.597 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.614 2.491 3.949 1.00 0.00 H new ATOM 383 N LYS D 26 -10.045 3.106 4.893 1.00 0.00 N ATOM 384 CA LYS D 26 -8.684 3.541 4.939 1.00 0.00 C ATOM 385 C LYS D 26 -7.755 2.359 5.082 1.00 0.00 C ATOM 386 O LYS D 26 -8.190 1.266 5.441 1.00 0.00 O ATOM 387 CB LYS D 26 -8.588 4.478 6.104 1.00 0.00 C ATOM 388 CG LYS D 26 -9.329 3.922 7.282 1.00 0.00 C ATOM 389 CD LYS D 26 -9.616 4.986 8.322 1.00 0.00 C ATOM 390 CE LYS D 26 -10.740 5.902 7.860 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.913 7.077 8.759 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.228 2.239 5.398 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.386 4.046 4.020 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.542 4.637 6.366 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -9.000 5.450 5.832 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.267 3.481 6.946 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.744 3.121 7.734 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.890 4.514 9.266 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.716 5.572 8.508 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -10.531 6.249 6.848 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -11.672 5.338 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -11.689 7.673 8.406 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -11.138 6.749 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -10.033 7.631 8.780 1.00 0.00 H new ATOM 405 N LEU D 27 -6.503 2.559 4.743 1.00 0.00 N ATOM 406 CA LEU D 27 -5.542 1.480 4.771 1.00 0.00 C ATOM 407 C LEU D 27 -4.232 1.901 5.427 1.00 0.00 C ATOM 408 O LEU D 27 -3.799 3.042 5.314 1.00 0.00 O ATOM 409 CB LEU D 27 -5.310 0.995 3.358 1.00 0.00 C ATOM 410 CG LEU D 27 -4.178 -0.012 3.187 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.449 -1.276 3.992 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.986 -0.354 1.719 1.00 0.00 C ATOM 0 H LEU D 27 -6.126 3.458 4.445 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.944 0.668 5.377 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.232 0.544 2.991 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.103 1.858 2.725 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.262 0.443 3.562 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.627 -1.979 3.854 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.536 -1.023 5.049 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.378 -1.732 3.651 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.174 -1.074 1.616 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.905 -0.785 1.323 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.741 0.551 1.164 1.00 0.00 H new ATOM 424 N SER D 28 -3.597 0.959 6.089 1.00 0.00 N ATOM 425 CA SER D 28 -2.329 1.190 6.737 1.00 0.00 C ATOM 426 C SER D 28 -1.378 0.071 6.378 1.00 0.00 C ATOM 427 O SER D 28 -1.705 -1.099 6.555 1.00 0.00 O ATOM 428 CB SER D 28 -2.505 1.214 8.253 1.00 0.00 C ATOM 429 OG SER D 28 -1.285 1.519 8.912 1.00 0.00 O ATOM 0 H SER D 28 -3.949 0.007 6.192 1.00 0.00 H new ATOM 0 HA SER D 28 -1.933 2.149 6.405 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.260 1.953 8.521 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.872 0.246 8.593 1.00 0.00 H new ATOM 0 HG SER D 28 -0.926 2.362 8.563 1.00 0.00 H new ATOM 435 N LEU D 29 -0.197 0.414 5.917 1.00 0.00 N ATOM 436 CA LEU D 29 0.785 -0.602 5.598 1.00 0.00 C ATOM 437 C LEU D 29 2.086 -0.300 6.312 1.00 0.00 C ATOM 438 O LEU D 29 2.470 0.862 6.441 1.00 0.00 O ATOM 439 CB LEU D 29 1.042 -0.657 4.107 1.00 0.00 C ATOM 440 CG LEU D 29 -0.209 -0.571 3.249 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.154 -0.221 1.818 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.959 -1.885 3.275 1.00 0.00 C ATOM 0 H LEU D 29 0.106 1.374 5.755 1.00 0.00 H new ATOM 0 HA LEU D 29 0.394 -1.566 5.925 1.00 0.00 H new ATOM 0 HB2 LEU D 29 1.710 0.160 3.836 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.563 -1.586 3.875 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.848 0.212 3.656 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.753 -0.163 1.216 1.00 0.00 H new ATOM 0 HD12 LEU D 29 0.665 0.742 1.797 1.00 0.00 H new ATOM 0 HD13 LEU D 29 0.811 -0.990 1.411 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.852 -1.806 2.655 1.00 0.00 H new ATOM 0 HD22 LEU D 29 -0.318 -2.677 2.889 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -1.248 -2.119 4.300 1.00 0.00 H new ATOM 454 N SER D 30 2.777 -1.338 6.729 1.00 0.00 N ATOM 455 CA SER D 30 4.060 -1.183 7.381 1.00 0.00 C ATOM 456 C SER D 30 4.836 -2.487 7.316 1.00 0.00 C ATOM 457 O SER D 30 4.319 -3.507 6.859 1.00 0.00 O ATOM 458 CB SER D 30 3.865 -0.741 8.834 1.00 0.00 C ATOM 459 OG SER D 30 3.070 -1.671 9.555 1.00 0.00 O ATOM 0 H SER D 30 2.470 -2.305 6.627 1.00 0.00 H new ATOM 0 HA SER D 30 4.632 -0.413 6.863 1.00 0.00 H new ATOM 0 HB2 SER D 30 4.836 -0.638 9.318 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.391 0.240 8.857 1.00 0.00 H new ATOM 0 HG SER D 30 2.964 -1.363 10.479 1.00 0.00 H new ATOM 465 N MET D 31 6.054 -2.465 7.820 1.00 0.00 N ATOM 466 CA MET D 31 6.871 -3.661 7.874 1.00 0.00 C ATOM 467 C MET D 31 7.434 -3.855 9.270 1.00 0.00 C ATOM 468 O MET D 31 8.214 -3.039 9.767 1.00 0.00 O ATOM 469 CB MET D 31 7.999 -3.631 6.825 1.00 0.00 C ATOM 470 CG MET D 31 8.931 -2.424 6.885 1.00 0.00 C ATOM 471 SD MET D 31 8.112 -0.865 6.491 1.00 0.00 S ATOM 472 CE MET D 31 9.488 0.274 6.588 1.00 0.00 C ATOM 0 H MET D 31 6.501 -1.630 8.199 1.00 0.00 H new ATOM 0 HA MET D 31 6.232 -4.511 7.635 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.598 -4.535 6.938 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.548 -3.669 5.833 1.00 0.00 H new ATOM 0 HG2 MET D 31 9.362 -2.357 7.884 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.757 -2.577 6.191 1.00 0.00 H new ATOM 0 HE1 MET D 31 9.141 1.284 6.369 1.00 0.00 H new ATOM 0 HE2 MET D 31 9.913 0.247 7.591 1.00 0.00 H new ATOM 0 HE3 MET D 31 10.250 -0.013 5.863 1.00 0.00 H new ATOM 482 N ASN D 32 7.038 -4.949 9.893 1.00 0.00 N ATOM 483 CA ASN D 32 7.506 -5.277 11.233 1.00 0.00 C ATOM 484 C ASN D 32 8.765 -6.116 11.124 1.00 0.00 C ATOM 485 O ASN D 32 8.697 -7.327 10.918 1.00 0.00 O ATOM 486 CB ASN D 32 6.428 -6.048 12.008 1.00 0.00 C ATOM 487 CG ASN D 32 6.864 -6.384 13.422 1.00 0.00 C ATOM 488 OD1 ASN D 32 7.162 -5.496 14.219 1.00 0.00 O ATOM 489 ND2 ASN D 32 6.907 -7.670 13.744 1.00 0.00 N ATOM 0 H ASN D 32 6.391 -5.630 9.494 1.00 0.00 H new ATOM 0 HA ASN D 32 7.721 -4.355 11.774 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.515 -5.454 12.043 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.189 -6.969 11.475 1.00 0.00 H new ATOM 0 HD21 ASN D 32 7.195 -7.952 14.681 1.00 0.00 H new ATOM 0 HD22 ASN D 32 6.652 -8.377 13.055 1.00 0.00 H new ATOM 496 N GLY D 33 9.904 -5.442 11.081 1.00 0.00 N ATOM 497 CA GLY D 33 11.149 -6.127 10.784 1.00 0.00 C ATOM 498 C GLY D 33 11.298 -6.364 9.297 1.00 0.00 C ATOM 499 O GLY D 33 11.523 -5.425 8.534 1.00 0.00 O ATOM 0 H GLY D 33 9.991 -4.439 11.245 1.00 0.00 H new ATOM 0 HA2 GLY D 33 11.989 -5.535 11.147 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.179 -7.080 11.312 1.00 0.00 H new ATOM 503 N ASN D 34 11.062 -7.598 8.871 1.00 0.00 N ATOM 504 CA ASN D 34 11.058 -7.937 7.452 1.00 0.00 C ATOM 505 C ASN D 34 9.698 -8.496 7.057 1.00 0.00 C ATOM 506 O ASN D 34 9.593 -9.406 6.232 1.00 0.00 O ATOM 507 CB ASN D 34 12.154 -8.957 7.143 1.00 0.00 C ATOM 508 CG ASN D 34 13.539 -8.416 7.425 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.971 -7.435 6.821 1.00 0.00 O ATOM 510 ND2 ASN D 34 14.241 -9.041 8.356 1.00 0.00 N ATOM 0 H ASN D 34 10.870 -8.385 9.491 1.00 0.00 H new ATOM 0 HA ASN D 34 11.254 -7.033 6.876 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.989 -9.855 7.738 1.00 0.00 H new ATOM 0 HB3 ASN D 34 12.088 -9.252 6.096 1.00 0.00 H new ATOM 0 HD21 ASN D 34 15.176 -8.713 8.596 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.847 -9.851 8.834 1.00 0.00 H new ATOM 517 N GLN D 35 8.671 -8.013 7.740 1.00 0.00 N ATOM 518 CA GLN D 35 7.316 -8.518 7.572 1.00 0.00 C ATOM 519 C GLN D 35 6.457 -7.494 6.842 1.00 0.00 C ATOM 520 O GLN D 35 6.764 -6.313 6.849 1.00 0.00 O ATOM 521 CB GLN D 35 6.730 -8.810 8.951 1.00 0.00 C ATOM 522 CG GLN D 35 5.336 -9.417 8.940 1.00 0.00 C ATOM 523 CD GLN D 35 4.831 -9.735 10.332 1.00 0.00 C ATOM 524 OE1 GLN D 35 3.696 -10.172 10.506 1.00 0.00 O ATOM 525 NE2 GLN D 35 5.677 -9.536 11.331 1.00 0.00 N ATOM 0 H GLN D 35 8.753 -7.262 8.425 1.00 0.00 H new ATOM 0 HA GLN D 35 7.335 -9.431 6.977 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.401 -9.488 9.479 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.701 -7.882 9.521 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.646 -8.726 8.456 1.00 0.00 H new ATOM 0 HG3 GLN D 35 5.345 -10.329 8.343 1.00 0.00 H new ATOM 0 HE21 GLN D 35 6.611 -9.171 11.143 1.00 0.00 H new ATOM 0 HE22 GLN D 35 5.395 -9.747 12.288 1.00 0.00 H new ATOM 534 N LEU D 36 5.371 -7.945 6.240 1.00 0.00 N ATOM 535 CA LEU D 36 4.464 -7.052 5.531 1.00 0.00 C ATOM 536 C LEU D 36 3.129 -6.978 6.248 1.00 0.00 C ATOM 537 O LEU D 36 2.608 -7.993 6.712 1.00 0.00 O ATOM 538 CB LEU D 36 4.356 -7.530 4.082 1.00 0.00 C ATOM 539 CG LEU D 36 3.381 -6.810 3.123 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.930 -7.139 3.443 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.587 -5.303 3.158 1.00 0.00 C ATOM 0 H LEU D 36 5.093 -8.926 6.226 1.00 0.00 H new ATOM 0 HA LEU D 36 4.846 -6.031 5.517 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.352 -7.473 3.642 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.077 -8.584 4.104 1.00 0.00 H new ATOM 0 HG LEU D 36 3.601 -7.173 2.119 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.276 -6.614 2.747 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.771 -8.213 3.350 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.702 -6.826 4.462 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.887 -4.824 2.473 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.414 -4.936 4.170 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.608 -5.068 2.856 1.00 0.00 H new ATOM 553 N LYS D 37 2.714 -5.751 6.532 1.00 0.00 N ATOM 554 CA LYS D 37 1.597 -5.513 7.430 1.00 0.00 C ATOM 555 C LYS D 37 0.604 -4.512 6.852 1.00 0.00 C ATOM 556 O LYS D 37 0.902 -3.331 6.735 1.00 0.00 O ATOM 557 CB LYS D 37 2.148 -4.973 8.745 1.00 0.00 C ATOM 558 CG LYS D 37 3.160 -5.899 9.397 1.00 0.00 C ATOM 559 CD LYS D 37 2.531 -7.176 9.957 1.00 0.00 C ATOM 560 CE LYS D 37 1.540 -6.916 11.097 1.00 0.00 C ATOM 561 NZ LYS D 37 0.286 -6.242 10.651 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.137 -4.904 6.151 1.00 0.00 H new ATOM 0 HA LYS D 37 1.066 -6.453 7.580 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.615 -4.005 8.565 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.322 -4.805 9.436 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.922 -6.167 8.666 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.665 -5.366 10.203 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.018 -7.703 9.152 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.322 -7.835 10.316 1.00 0.00 H new ATOM 0 HE2 LYS D 37 1.285 -7.864 11.570 1.00 0.00 H new ATOM 0 HE3 LYS D 37 2.024 -6.301 11.856 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 -0.533 -6.700 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 0.314 -5.239 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 0.201 -6.316 9.617 1.00 0.00 H new ATOM 575 N ALA D 38 -0.602 -4.975 6.595 1.00 0.00 N ATOM 576 CA ALA D 38 -1.680 -4.115 6.152 1.00 0.00 C ATOM 577 C ALA D 38 -2.840 -4.155 7.127 1.00 0.00 C ATOM 578 O ALA D 38 -3.187 -5.211 7.660 1.00 0.00 O ATOM 579 CB ALA D 38 -2.153 -4.538 4.780 1.00 0.00 C ATOM 0 H ALA D 38 -0.862 -5.957 6.687 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.301 -3.094 6.105 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.963 -3.885 4.457 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.327 -4.468 4.073 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.510 -5.567 4.820 1.00 0.00 H new ATOM 585 N THR D 39 -3.456 -3.005 7.313 1.00 0.00 N ATOM 586 CA THR D 39 -4.617 -2.859 8.172 1.00 0.00 C ATOM 587 C THR D 39 -5.563 -1.808 7.599 1.00 0.00 C ATOM 588 O THR D 39 -5.147 -0.711 7.267 1.00 0.00 O ATOM 589 CB THR D 39 -4.174 -2.475 9.588 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.208 -1.440 9.547 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.586 -3.620 10.387 1.00 0.00 C ATOM 0 H THR D 39 -3.163 -2.135 6.868 1.00 0.00 H new ATOM 0 HA THR D 39 -5.148 -3.810 8.221 1.00 0.00 H new ATOM 0 HB THR D 39 -5.088 -2.152 10.086 1.00 0.00 H new ATOM 0 HG1 THR D 39 -2.939 -1.208 10.460 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.298 -3.264 11.376 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.328 -4.412 10.488 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.708 -4.010 9.872 1.00 0.00 H new ATOM 599 N SER D 40 -6.837 -2.125 7.532 1.00 0.00 N ATOM 600 CA SER D 40 -7.833 -1.179 7.057 1.00 0.00 C ATOM 601 C SER D 40 -8.723 -0.799 8.209 1.00 0.00 C ATOM 602 O SER D 40 -9.045 -1.636 9.055 1.00 0.00 O ATOM 603 CB SER D 40 -8.661 -1.795 5.950 1.00 0.00 C ATOM 604 OG SER D 40 -9.323 -2.963 6.402 1.00 0.00 O ATOM 0 H SER D 40 -7.213 -3.034 7.801 1.00 0.00 H new ATOM 0 HA SER D 40 -7.335 -0.294 6.660 1.00 0.00 H new ATOM 0 HB2 SER D 40 -9.394 -1.072 5.594 1.00 0.00 H new ATOM 0 HB3 SER D 40 -8.019 -2.041 5.104 1.00 0.00 H new ATOM 0 HG SER D 40 -10.276 -2.772 6.525 1.00 0.00 H new ATOM 610 N SER D 41 -9.169 0.426 8.233 1.00 0.00 N ATOM 611 CA SER D 41 -10.078 0.820 9.288 1.00 0.00 C ATOM 612 C SER D 41 -11.494 0.912 8.741 1.00 0.00 C ATOM 613 O SER D 41 -11.684 1.069 7.527 1.00 0.00 O ATOM 614 CB SER D 41 -9.636 2.128 9.949 1.00 0.00 C ATOM 615 OG SER D 41 -10.516 2.505 10.996 1.00 0.00 O ATOM 0 H SER D 41 -8.931 1.154 7.559 1.00 0.00 H new ATOM 0 HA SER D 41 -10.061 0.058 10.067 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.627 2.014 10.344 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.598 2.920 9.201 1.00 0.00 H new ATOM 0 HG SER D 41 -10.205 3.343 11.399 1.00 0.00 H new ATOM 621 N ASN D 42 -12.462 0.640 9.625 1.00 0.00 N ATOM 622 CA ASN D 42 -13.880 0.499 9.272 1.00 0.00 C ATOM 623 C ASN D 42 -14.162 -0.884 8.697 1.00 0.00 C ATOM 624 O ASN D 42 -15.316 -1.241 8.467 1.00 0.00 O ATOM 625 CB ASN D 42 -14.355 1.602 8.322 1.00 0.00 C ATOM 626 CG ASN D 42 -14.317 2.960 8.988 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.985 3.181 9.995 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.543 3.878 8.433 1.00 0.00 N ATOM 0 H ASN D 42 -12.279 0.510 10.620 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.452 0.610 10.193 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.725 1.614 7.432 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.371 1.386 7.991 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -13.485 4.811 8.841 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -13.004 3.653 7.597 1.00 0.00 H new ATOM 635 N ALA D 43 -13.111 -1.706 8.646 1.00 0.00 N ATOM 636 CA ALA D 43 -13.215 -3.131 8.309 1.00 0.00 C ATOM 637 C ALA D 43 -14.123 -3.418 7.111 1.00 0.00 C ATOM 638 O ALA D 43 -15.018 -4.261 7.201 1.00 0.00 O ATOM 639 CB ALA D 43 -13.704 -3.910 9.521 1.00 0.00 C ATOM 0 H ALA D 43 -12.157 -1.401 8.838 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.214 -3.453 8.020 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -13.780 -4.967 9.267 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.000 -3.784 10.343 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.683 -3.538 9.822 1.00 0.00 H new ATOM 645 N GLY D 44 -13.823 -2.831 5.959 1.00 0.00 N ATOM 646 CA GLY D 44 -14.564 -3.185 4.766 1.00 0.00 C ATOM 647 C GLY D 44 -15.232 -2.012 4.092 1.00 0.00 C ATOM 648 O GLY D 44 -16.262 -2.176 3.441 1.00 0.00 O ATOM 0 H GLY D 44 -13.094 -2.129 5.831 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.887 -3.662 4.057 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.323 -3.922 5.027 1.00 0.00 H new ATOM 652 N TYR D 45 -14.581 -0.864 4.119 1.00 0.00 N ATOM 653 CA TYR D 45 -15.047 0.280 3.361 1.00 0.00 C ATOM 654 C TYR D 45 -13.924 0.800 2.482 1.00 0.00 C ATOM 655 O TYR D 45 -12.758 0.766 2.878 1.00 0.00 O ATOM 656 CB TYR D 45 -15.558 1.402 4.273 1.00 0.00 C ATOM 657 CG TYR D 45 -16.838 1.065 5.027 1.00 0.00 C ATOM 658 CD1 TYR D 45 -16.842 0.097 6.026 1.00 0.00 C ATOM 659 CD2 TYR D 45 -18.049 1.698 4.733 1.00 0.00 C ATOM 660 CE1 TYR D 45 -17.998 -0.226 6.707 1.00 0.00 C ATOM 661 CE2 TYR D 45 -19.205 1.377 5.415 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.174 0.417 6.398 1.00 0.00 C ATOM 663 OH TYR D 45 -20.326 0.100 7.076 1.00 0.00 O ATOM 0 H TYR D 45 -13.730 -0.700 4.657 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.883 -0.047 2.743 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.780 1.650 4.995 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.730 2.294 3.670 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -15.922 -0.412 6.274 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -18.081 2.451 3.959 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -17.979 -0.981 7.479 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -20.131 1.879 5.177 1.00 0.00 H new ATOM 0 HH TYR D 45 -21.066 0.646 6.737 1.00 0.00 H new ATOM 673 N GLY D 46 -14.283 1.346 1.331 1.00 0.00 N ATOM 674 CA GLY D 46 -13.293 1.953 0.464 1.00 0.00 C ATOM 675 C GLY D 46 -13.093 3.393 0.821 1.00 0.00 C ATOM 676 O GLY D 46 -13.605 3.825 1.835 1.00 0.00 O ATOM 0 H GLY D 46 -15.240 1.380 0.981 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.348 1.417 0.550 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.612 1.871 -0.575 1.00 0.00 H new ATOM 680 N ILE D 47 -12.390 4.140 -0.018 1.00 0.00 N ATOM 681 CA ILE D 47 -12.158 5.569 0.222 1.00 0.00 C ATOM 682 C ILE D 47 -13.432 6.231 0.638 1.00 0.00 C ATOM 683 O ILE D 47 -13.550 6.764 1.741 1.00 0.00 O ATOM 684 CB ILE D 47 -11.731 6.250 -1.058 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.508 5.572 -1.588 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.472 7.732 -0.830 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.341 5.614 -0.630 1.00 0.00 C ATOM 0 H ILE D 47 -11.967 3.785 -0.875 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.392 5.654 0.993 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.535 6.170 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.746 4.533 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.217 6.044 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.166 8.196 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.383 8.209 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.681 7.853 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.486 5.105 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.078 6.651 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.616 5.116 0.300 1.00 0.00 H new ATOM 699 N SER D 48 -14.396 6.069 -0.243 1.00 0.00 N ATOM 700 CA SER D 48 -15.758 6.500 -0.020 1.00 0.00 C ATOM 701 C SER D 48 -16.561 6.306 -1.297 1.00 0.00 C ATOM 702 O SER D 48 -16.867 5.171 -1.675 1.00 0.00 O ATOM 703 CB SER D 48 -15.798 7.950 0.464 1.00 0.00 C ATOM 704 OG SER D 48 -17.129 8.414 0.624 1.00 0.00 O ATOM 0 H SER D 48 -14.252 5.626 -1.150 1.00 0.00 H new ATOM 0 HA SER D 48 -16.208 5.894 0.766 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.268 8.032 1.413 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.274 8.586 -0.249 1.00 0.00 H new ATOM 0 HG SER D 48 -17.116 9.343 0.936 1.00 0.00 H new ATOM 710 N TYR D 49 -16.816 7.385 -2.015 1.00 0.00 N ATOM 711 CA TYR D 49 -17.482 7.280 -3.296 1.00 0.00 C ATOM 712 C TYR D 49 -16.615 7.819 -4.428 1.00 0.00 C ATOM 713 O TYR D 49 -16.928 8.839 -5.041 1.00 0.00 O ATOM 714 CB TYR D 49 -18.846 7.977 -3.244 1.00 0.00 C ATOM 715 CG TYR D 49 -18.858 9.342 -2.545 1.00 0.00 C ATOM 716 CD1 TYR D 49 -17.853 10.281 -2.763 1.00 0.00 C ATOM 717 CD2 TYR D 49 -19.883 9.689 -1.657 1.00 0.00 C ATOM 718 CE1 TYR D 49 -17.862 11.506 -2.127 1.00 0.00 C ATOM 719 CE2 TYR D 49 -19.893 10.915 -1.022 1.00 0.00 C ATOM 720 CZ TYR D 49 -18.883 11.818 -1.259 1.00 0.00 C ATOM 721 OH TYR D 49 -18.891 13.037 -0.623 1.00 0.00 O ATOM 0 H TYR D 49 -16.574 8.335 -1.734 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.649 6.224 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.209 8.106 -4.264 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.552 7.320 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -17.049 10.046 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -20.680 8.986 -1.465 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -17.070 12.217 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -20.693 11.165 -0.340 1.00 0.00 H new ATOM 0 HH TYR D 49 -19.680 13.100 -0.046 1.00 0.00 H new ATOM 731 N GLU D 50 -15.609 7.033 -4.784 1.00 0.00 N ATOM 732 CA GLU D 50 -14.759 7.300 -5.935 1.00 0.00 C ATOM 733 C GLU D 50 -14.125 6.023 -6.448 1.00 0.00 C ATOM 734 O GLU D 50 -14.422 4.933 -5.958 1.00 0.00 O ATOM 735 CB GLU D 50 -13.651 8.294 -5.603 1.00 0.00 C ATOM 736 CG GLU D 50 -14.090 9.736 -5.616 1.00 0.00 C ATOM 737 CD GLU D 50 -14.566 10.189 -6.981 1.00 0.00 C ATOM 738 OE1 GLU D 50 -15.563 9.637 -7.488 1.00 0.00 O ATOM 739 OE2 GLU D 50 -13.929 11.092 -7.554 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.358 6.184 -4.277 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.402 7.729 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.249 8.057 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.838 8.167 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.893 9.874 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -13.261 10.367 -5.297 1.00 0.00 H new ATOM 746 N ASP D 51 -13.179 6.169 -7.366 1.00 0.00 N ATOM 747 CA ASP D 51 -12.429 5.018 -7.862 1.00 0.00 C ATOM 748 C ASP D 51 -10.940 5.313 -7.892 1.00 0.00 C ATOM 749 O ASP D 51 -10.525 6.394 -8.309 1.00 0.00 O ATOM 750 CB ASP D 51 -12.884 4.595 -9.263 1.00 0.00 C ATOM 751 CG ASP D 51 -14.342 4.197 -9.339 1.00 0.00 C ATOM 752 OD1 ASP D 51 -15.216 5.048 -9.084 1.00 0.00 O ATOM 753 OD2 ASP D 51 -14.613 3.030 -9.673 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.913 7.062 -7.780 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.627 4.198 -7.172 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.705 5.417 -9.956 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.271 3.758 -9.596 1.00 0.00 H new ATOM 758 N LYS D 52 -10.136 4.329 -7.492 1.00 0.00 N ATOM 759 CA LYS D 52 -8.685 4.450 -7.508 1.00 0.00 C ATOM 760 C LYS D 52 -8.078 3.112 -7.871 1.00 0.00 C ATOM 761 O LYS D 52 -8.566 2.071 -7.434 1.00 0.00 O ATOM 762 CB LYS D 52 -8.111 4.896 -6.162 1.00 0.00 C ATOM 763 CG LYS D 52 -8.574 6.262 -5.671 1.00 0.00 C ATOM 764 CD LYS D 52 -9.975 6.226 -5.082 1.00 0.00 C ATOM 765 CE LYS D 52 -10.420 7.619 -4.672 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.447 8.257 -3.742 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.474 3.430 -7.149 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.436 5.214 -8.244 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.373 4.151 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.024 4.905 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.876 6.629 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.550 6.969 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.672 5.816 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -9.994 5.563 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.535 8.240 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.398 7.563 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -9.935 8.971 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.035 7.532 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.691 8.714 -4.291 1.00 0.00 H new ATOM 780 N ASN D 53 -6.988 3.137 -8.613 1.00 0.00 N ATOM 781 CA ASN D 53 -6.282 1.911 -8.960 1.00 0.00 C ATOM 782 C ASN D 53 -4.911 1.900 -8.325 1.00 0.00 C ATOM 783 O ASN D 53 -4.299 2.953 -8.138 1.00 0.00 O ATOM 784 CB ASN D 53 -6.166 1.739 -10.473 1.00 0.00 C ATOM 785 CG ASN D 53 -7.490 1.408 -11.138 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.546 1.212 -12.351 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.571 1.356 -10.365 1.00 0.00 N ATOM 0 H ASN D 53 -6.570 3.988 -8.988 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.861 1.072 -8.574 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.767 2.656 -10.907 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.450 0.946 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.482 1.148 -10.775 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.489 1.524 -9.362 1.00 0.00 H new ATOM 794 N TRP D 54 -4.478 0.731 -7.883 1.00 0.00 N ATOM 795 CA TRP D 54 -3.237 0.632 -7.142 1.00 0.00 C ATOM 796 C TRP D 54 -2.269 -0.381 -7.711 1.00 0.00 C ATOM 797 O TRP D 54 -2.672 -1.404 -8.267 1.00 0.00 O ATOM 798 CB TRP D 54 -3.503 0.280 -5.691 1.00 0.00 C ATOM 799 CG TRP D 54 -3.267 1.427 -4.796 1.00 0.00 C ATOM 800 CD1 TRP D 54 -3.971 2.589 -4.687 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.164 1.535 -3.932 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.359 3.409 -3.768 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.238 2.777 -3.299 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.119 0.676 -3.631 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.284 3.183 -2.384 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.187 1.077 -2.725 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.269 2.322 -2.112 1.00 0.00 C ATOM 0 H TRP D 54 -4.964 -0.154 -8.024 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.775 1.616 -7.223 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.533 -0.059 -5.583 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -2.861 -0.550 -5.395 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -4.869 2.828 -5.237 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.685 4.333 -3.483 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.046 -0.291 -4.106 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.344 4.148 -1.904 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.631 0.417 -2.478 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.492 2.612 -1.403 1.00 0.00 H new ATOM 818 N GLY D 55 -0.987 -0.140 -7.445 1.00 0.00 N ATOM 819 CA GLY D 55 0.030 -1.089 -7.816 1.00 0.00 C ATOM 820 C GLY D 55 1.142 -1.207 -6.791 1.00 0.00 C ATOM 821 O GLY D 55 1.366 -0.324 -5.965 1.00 0.00 O ATOM 0 H GLY D 55 -0.642 0.699 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.430 -2.067 -7.958 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.458 -0.796 -8.775 1.00 0.00 H new ATOM 825 N ILE D 56 1.825 -2.322 -6.890 1.00 0.00 N ATOM 826 CA ILE D 56 2.957 -2.695 -6.041 1.00 0.00 C ATOM 827 C ILE D 56 4.018 -3.308 -6.949 1.00 0.00 C ATOM 828 O ILE D 56 3.779 -4.361 -7.543 1.00 0.00 O ATOM 829 CB ILE D 56 2.516 -3.757 -5.005 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.363 -3.236 -4.149 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.678 -4.177 -4.123 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.818 -4.276 -3.199 1.00 0.00 C ATOM 0 H ILE D 56 1.607 -3.031 -7.590 1.00 0.00 H new ATOM 0 HA ILE D 56 3.337 -1.822 -5.511 1.00 0.00 H new ATOM 0 HB ILE D 56 2.171 -4.632 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.703 -2.372 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.560 -2.891 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.339 -4.924 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.469 -4.601 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.062 -3.308 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.002 -3.846 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.449 -5.130 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.609 -4.603 -2.525 1.00 0.00 H new ATOM 844 N PHE D 57 5.090 -2.579 -7.220 1.00 0.00 N ATOM 845 CA PHE D 57 6.026 -3.024 -8.250 1.00 0.00 C ATOM 846 C PHE D 57 7.308 -3.554 -7.639 1.00 0.00 C ATOM 847 O PHE D 57 8.152 -2.782 -7.193 1.00 0.00 O ATOM 848 CB PHE D 57 6.367 -1.905 -9.251 1.00 0.00 C ATOM 849 CG PHE D 57 5.166 -1.188 -9.814 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.434 -0.297 -9.039 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.750 -1.428 -11.112 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.321 0.333 -9.547 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.637 -0.794 -11.626 1.00 0.00 C ATOM 854 CZ PHE D 57 2.919 0.087 -10.841 1.00 0.00 C ATOM 0 H PHE D 57 5.332 -1.702 -6.759 1.00 0.00 H new ATOM 0 HA PHE D 57 5.523 -3.827 -8.789 1.00 0.00 H new ATOM 0 HB2 PHE D 57 7.012 -1.177 -8.758 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.939 -2.332 -10.074 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.743 -0.096 -8.024 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.303 -2.120 -11.730 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.762 1.021 -8.930 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.327 -0.987 -12.643 1.00 0.00 H new ATOM 0 HZ PHE D 57 2.046 0.581 -11.240 1.00 0.00 H new ATOM 864 N VAL D 58 7.497 -4.861 -7.736 1.00 0.00 N ATOM 865 CA VAL D 58 8.736 -5.490 -7.315 1.00 0.00 C ATOM 866 C VAL D 58 9.729 -5.511 -8.473 1.00 0.00 C ATOM 867 O VAL D 58 9.504 -6.191 -9.477 1.00 0.00 O ATOM 868 CB VAL D 58 8.497 -6.928 -6.806 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.803 -7.591 -6.411 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.536 -6.925 -5.630 1.00 0.00 C ATOM 0 H VAL D 58 6.802 -5.509 -8.106 1.00 0.00 H new ATOM 0 HA VAL D 58 9.145 -4.904 -6.492 1.00 0.00 H new ATOM 0 HB VAL D 58 8.055 -7.501 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.605 -8.602 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.466 -7.633 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.278 -7.015 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.380 -7.947 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.955 -6.328 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.583 -6.497 -5.940 1.00 0.00 H new ATOM 880 N ASN D 59 10.787 -4.712 -8.343 1.00 0.00 N ATOM 881 CA ASN D 59 11.801 -4.562 -9.389 1.00 0.00 C ATOM 882 C ASN D 59 11.165 -4.193 -10.724 1.00 0.00 C ATOM 883 O ASN D 59 11.408 -4.841 -11.744 1.00 0.00 O ATOM 884 CB ASN D 59 12.645 -5.834 -9.532 1.00 0.00 C ATOM 885 CG ASN D 59 13.457 -6.135 -8.287 1.00 0.00 C ATOM 886 OD1 ASN D 59 12.910 -6.346 -7.208 1.00 0.00 O ATOM 887 ND2 ASN D 59 14.776 -6.150 -8.426 1.00 0.00 N ATOM 0 H ASN D 59 10.967 -4.150 -7.511 1.00 0.00 H new ATOM 0 HA ASN D 59 12.461 -3.748 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.990 -6.678 -9.748 1.00 0.00 H new ATOM 0 HB3 ASN D 59 13.317 -5.726 -10.383 1.00 0.00 H new ATOM 0 HD21 ASN D 59 15.372 -6.341 -7.620 1.00 0.00 H new ATOM 0 HD22 ASN D 59 15.195 -5.970 -9.339 1.00 0.00 H new ATOM 894 N GLY D 60 10.370 -3.125 -10.710 1.00 0.00 N ATOM 895 CA GLY D 60 9.726 -2.647 -11.916 1.00 0.00 C ATOM 896 C GLY D 60 8.761 -3.649 -12.505 1.00 0.00 C ATOM 897 O GLY D 60 8.800 -3.935 -13.701 1.00 0.00 O ATOM 0 H GLY D 60 10.161 -2.579 -9.874 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.192 -1.723 -11.695 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.488 -2.405 -12.657 1.00 0.00 H new ATOM 901 N GLU D 61 7.900 -4.184 -11.659 1.00 0.00 N ATOM 902 CA GLU D 61 6.914 -5.171 -12.085 1.00 0.00 C ATOM 903 C GLU D 61 5.735 -5.185 -11.119 1.00 0.00 C ATOM 904 O GLU D 61 5.904 -5.475 -9.936 1.00 0.00 O ATOM 905 CB GLU D 61 7.569 -6.553 -12.154 1.00 0.00 C ATOM 906 CG GLU D 61 6.635 -7.665 -12.596 1.00 0.00 C ATOM 907 CD GLU D 61 7.339 -8.994 -12.695 1.00 0.00 C ATOM 908 OE1 GLU D 61 6.675 -9.992 -13.027 1.00 0.00 O ATOM 909 OE2 GLU D 61 8.562 -9.041 -12.456 1.00 0.00 O1- ATOM 0 H GLU D 61 7.861 -3.953 -10.666 1.00 0.00 H new ATOM 0 HA GLU D 61 6.543 -4.906 -13.075 1.00 0.00 H new ATOM 0 HB2 GLU D 61 8.413 -6.508 -12.842 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.971 -6.801 -11.172 1.00 0.00 H new ATOM 0 HG2 GLU D 61 5.809 -7.745 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.203 -7.411 -13.564 1.00 0.00 H new ATOM 916 N LYS D 62 4.553 -4.829 -11.611 1.00 0.00 N ATOM 917 CA LYS D 62 3.369 -4.764 -10.760 1.00 0.00 C ATOM 918 C LYS D 62 2.892 -6.171 -10.427 1.00 0.00 C ATOM 919 O LYS D 62 2.320 -6.859 -11.273 1.00 0.00 O ATOM 920 CB LYS D 62 2.254 -3.966 -11.446 1.00 0.00 C ATOM 921 CG LYS D 62 1.042 -3.715 -10.555 1.00 0.00 C ATOM 922 CD LYS D 62 -0.010 -2.822 -11.221 1.00 0.00 C ATOM 923 CE LYS D 62 -0.768 -3.513 -12.358 1.00 0.00 C ATOM 924 NZ LYS D 62 0.101 -3.900 -13.498 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.389 -4.583 -12.587 1.00 0.00 H new ATOM 0 HA LYS D 62 3.631 -4.253 -9.834 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.656 -3.008 -11.776 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.933 -4.502 -12.339 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.587 -4.670 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.370 -3.250 -9.625 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.724 -2.492 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.478 -1.929 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -1.260 -4.404 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.552 -2.848 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -0.451 -3.877 -14.379 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 0.896 -3.234 -13.570 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 0.468 -4.861 -13.344 1.00 0.00 H new ATOM 938 N VAL D 63 3.215 -6.622 -9.223 1.00 0.00 N ATOM 939 CA VAL D 63 2.907 -7.980 -8.813 1.00 0.00 C ATOM 940 C VAL D 63 1.496 -8.100 -8.249 1.00 0.00 C ATOM 941 O VAL D 63 0.894 -9.170 -8.307 1.00 0.00 O ATOM 942 CB VAL D 63 3.924 -8.501 -7.789 1.00 0.00 C ATOM 943 CG1 VAL D 63 5.328 -8.486 -8.374 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.875 -7.704 -6.493 1.00 0.00 C ATOM 0 H VAL D 63 3.691 -6.064 -8.514 1.00 0.00 H new ATOM 0 HA VAL D 63 2.967 -8.595 -9.711 1.00 0.00 H new ATOM 0 HB VAL D 63 3.655 -9.530 -7.552 1.00 0.00 H new ATOM 0 HG11 VAL D 63 6.035 -8.859 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL D 63 5.360 -9.122 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL D 63 5.596 -7.466 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.609 -8.103 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL D 63 4.102 -6.658 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL D 63 2.879 -7.780 -6.057 1.00 0.00 H new ATOM 954 N TYR D 64 0.958 -7.003 -7.723 1.00 0.00 N ATOM 955 CA TYR D 64 -0.395 -7.019 -7.184 1.00 0.00 C ATOM 956 C TYR D 64 -1.143 -5.738 -7.533 1.00 0.00 C ATOM 957 O TYR D 64 -0.615 -4.634 -7.369 1.00 0.00 O ATOM 958 CB TYR D 64 -0.377 -7.213 -5.665 1.00 0.00 C ATOM 959 CG TYR D 64 -1.764 -7.369 -5.067 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.711 -8.188 -5.674 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.135 -6.690 -3.912 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.980 -8.324 -5.149 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.401 -6.827 -3.381 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.320 -7.642 -4.004 1.00 0.00 C ATOM 965 OH TYR D 64 -5.586 -7.766 -3.484 1.00 0.00 O ATOM 0 H TYR D 64 1.433 -6.103 -7.659 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.917 -7.860 -7.640 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.217 -8.095 -5.425 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.118 -6.359 -5.202 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.448 -8.727 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.421 -6.045 -3.422 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.703 -8.963 -5.635 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -3.671 -6.297 -2.480 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.662 -7.220 -2.674 1.00 0.00 H new ATOM 975 N THR D 65 -2.407 -5.897 -7.909 1.00 0.00 N ATOM 976 CA THR D 65 -3.285 -4.767 -8.161 1.00 0.00 C ATOM 977 C THR D 65 -4.487 -4.820 -7.228 1.00 0.00 C ATOM 978 O THR D 65 -5.349 -5.691 -7.363 1.00 0.00 O ATOM 979 CB THR D 65 -3.763 -4.762 -9.596 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.670 -4.811 -10.495 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.608 -3.547 -9.962 1.00 0.00 C ATOM 0 H THR D 65 -2.847 -6.807 -8.046 1.00 0.00 H new ATOM 0 HA THR D 65 -2.719 -3.854 -7.978 1.00 0.00 H new ATOM 0 HB THR D 65 -4.388 -5.651 -9.682 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.820 -5.521 -11.154 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.912 -3.617 -11.006 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.494 -3.515 -9.327 1.00 0.00 H new ATOM 0 HG23 THR D 65 -4.023 -2.639 -9.814 1.00 0.00 H new ATOM 989 N PHE D 66 -4.630 -3.796 -6.406 1.00 0.00 N ATOM 990 CA PHE D 66 -5.837 -3.633 -5.609 1.00 0.00 C ATOM 991 C PHE D 66 -6.374 -2.250 -5.863 1.00 0.00 C ATOM 992 O PHE D 66 -5.682 -1.414 -6.423 1.00 0.00 O ATOM 993 CB PHE D 66 -5.590 -3.897 -4.116 1.00 0.00 C ATOM 994 CG PHE D 66 -4.683 -2.929 -3.390 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.102 -1.639 -3.101 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.423 -3.325 -2.966 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.289 -0.767 -2.404 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.602 -2.454 -2.273 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.037 -1.174 -1.990 1.00 0.00 C ATOM 0 H PHE D 66 -3.930 -3.067 -6.272 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.577 -4.375 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.555 -3.903 -3.609 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.170 -4.897 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.079 -1.311 -3.426 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.079 -4.326 -3.180 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.633 0.233 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.621 -2.775 -1.953 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.399 -0.493 -1.446 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.634 -2.045 -5.598 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.256 -0.790 -5.952 1.00 0.00 C ATOM 1011 C ASN D 67 -8.962 -0.223 -4.751 1.00 0.00 C ATOM 1012 O ASN D 67 -9.621 -0.956 -4.042 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.256 -1.001 -7.090 1.00 0.00 C ATOM 1014 CG ASN D 67 -8.612 -1.600 -8.321 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -7.707 -1.013 -8.912 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.069 -2.780 -8.712 1.00 0.00 N ATOM 0 H ASN D 67 -8.249 -2.720 -5.143 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.488 -0.092 -6.284 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.058 -1.655 -6.748 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.713 -0.046 -7.350 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -8.669 -3.236 -9.532 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -9.821 -3.233 -8.193 1.00 0.00 H new ATOM 1023 N GLU D 68 -8.916 1.090 -4.584 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.668 1.743 -3.515 1.00 0.00 C ATOM 1025 C GLU D 68 -11.161 1.611 -3.797 1.00 0.00 C ATOM 1026 O GLU D 68 -11.997 1.754 -2.903 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.281 3.207 -3.439 1.00 0.00 C ATOM 1028 CG GLU D 68 -7.784 3.444 -3.333 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.241 3.272 -1.935 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.384 2.174 -1.371 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.671 4.252 -1.410 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.371 1.724 -5.169 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.438 1.268 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -9.658 3.719 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -9.772 3.658 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.268 2.755 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.559 4.453 -3.679 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.448 1.149 -5.012 1.00 0.00 N ATOM 1039 CA LYS D 69 -12.787 0.749 -5.409 1.00 0.00 C ATOM 1040 C LYS D 69 -13.190 -0.424 -4.542 1.00 0.00 C ATOM 1041 O LYS D 69 -14.208 -0.397 -3.849 1.00 0.00 O ATOM 1042 CB LYS D 69 -12.759 0.277 -6.852 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.123 1.274 -7.805 1.00 0.00 C ATOM 1044 CD LYS D 69 -11.978 0.692 -9.203 1.00 0.00 C ATOM 1045 CE LYS D 69 -13.320 0.284 -9.792 1.00 0.00 C ATOM 1046 NZ LYS D 69 -13.171 -0.342 -11.133 1.00 0.00 N1+ ATOM 0 H LYS D 69 -10.751 1.043 -5.749 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.480 1.583 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.213 -0.665 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -13.779 0.074 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -12.731 2.178 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.143 1.566 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -11.504 1.427 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -11.319 -0.175 -9.168 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -13.814 -0.415 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -13.963 1.160 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -14.108 -0.605 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -12.722 0.334 -11.784 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -12.578 -1.193 -11.055 1.00 0.00 H new ATOM 1060 N SER D 70 -12.255 -1.366 -4.456 1.00 0.00 N ATOM 1061 CA SER D 70 -12.351 -2.459 -3.526 1.00 0.00 C ATOM 1062 C SER D 70 -12.225 -1.892 -2.122 1.00 0.00 C ATOM 1063 O SER D 70 -11.396 -1.020 -1.875 1.00 0.00 O ATOM 1064 CB SER D 70 -11.250 -3.495 -3.787 1.00 0.00 C ATOM 1065 OG SER D 70 -11.438 -4.657 -2.990 1.00 0.00 O ATOM 0 H SER D 70 -11.415 -1.383 -5.034 1.00 0.00 H new ATOM 0 HA SER D 70 -13.309 -2.965 -3.645 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.249 -3.770 -4.842 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.276 -3.056 -3.571 1.00 0.00 H new ATOM 0 HG SER D 70 -10.724 -5.301 -3.177 1.00 0.00 H new ATOM 1071 N THR D 71 -13.034 -2.373 -1.208 1.00 0.00 N ATOM 1072 CA THR D 71 -12.970 -1.899 0.158 1.00 0.00 C ATOM 1073 C THR D 71 -11.604 -2.230 0.744 1.00 0.00 C ATOM 1074 O THR D 71 -11.189 -3.387 0.709 1.00 0.00 O ATOM 1075 CB THR D 71 -14.072 -2.553 0.970 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.933 -3.964 0.978 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.459 -2.238 0.455 1.00 0.00 C ATOM 0 H THR D 71 -13.741 -3.088 -1.381 1.00 0.00 H new ATOM 0 HA THR D 71 -13.110 -0.818 0.184 1.00 0.00 H new ATOM 0 HB THR D 71 -13.965 -2.142 1.974 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.654 -4.361 1.509 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.201 -2.736 1.079 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.623 -1.161 0.486 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.554 -2.590 -0.572 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.867 -1.213 1.209 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.525 -1.411 1.711 1.00 0.00 C ATOM 1087 C VAL D 72 -9.503 -2.436 2.840 1.00 0.00 C ATOM 1088 O VAL D 72 -8.473 -3.047 3.120 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.820 -0.098 2.138 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.548 0.042 1.329 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.695 1.141 1.909 1.00 0.00 C ATOM 0 H VAL D 72 -11.190 -0.246 1.243 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.950 -1.802 0.872 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.614 -0.157 3.207 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.035 0.961 1.614 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.898 -0.811 1.522 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.794 0.078 0.268 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.153 2.032 2.225 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.941 1.222 0.850 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.613 1.050 2.489 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.695 -2.753 3.339 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.871 -3.844 4.255 1.00 0.00 C ATOM 1103 C GLY D 73 -10.667 -5.188 3.606 1.00 0.00 C ATOM 1104 O GLY D 73 -9.766 -5.938 3.980 1.00 0.00 O ATOM 0 H GLY D 73 -11.555 -2.254 3.112 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.170 -3.735 5.082 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.874 -3.799 4.679 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.485 -5.467 2.596 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.376 -6.709 1.839 1.00 0.00 C ATOM 1110 C ASN D 74 -10.031 -6.773 1.139 1.00 0.00 C ATOM 1111 O ASN D 74 -9.472 -7.849 0.941 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.501 -6.808 0.805 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.477 -8.121 0.051 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -12.645 -9.189 0.643 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -12.263 -8.054 -1.255 1.00 0.00 N ATOM 0 H ASN D 74 -12.232 -4.848 2.282 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.462 -7.545 2.533 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.463 -6.697 1.306 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.414 -5.984 0.097 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -12.232 -8.908 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -12.129 -7.148 -1.704 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.486 -5.602 0.846 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.159 -5.506 0.244 1.00 0.00 C ATOM 1124 C ILE D 75 -7.085 -5.949 1.225 1.00 0.00 C ATOM 1125 O ILE D 75 -6.156 -6.650 0.857 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.832 -4.074 -0.193 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.801 -3.547 -1.261 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.399 -3.975 -0.688 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.509 -2.114 -1.627 1.00 0.00 C ATOM 0 H ILE D 75 -9.939 -4.704 1.014 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.171 -6.159 -0.629 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.950 -3.444 0.689 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.733 -4.170 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.824 -3.627 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.189 -2.950 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.717 -4.262 0.112 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.261 -4.642 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.217 -1.781 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.603 -1.486 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.495 -2.038 -2.019 1.00 0.00 H new ATOM 1141 N SER D 76 -7.176 -5.486 2.464 1.00 0.00 N ATOM 1142 CA SER D 76 -6.154 -5.807 3.450 1.00 0.00 C ATOM 1143 C SER D 76 -6.301 -7.227 3.948 1.00 0.00 C ATOM 1144 O SER D 76 -5.301 -7.865 4.267 1.00 0.00 O ATOM 1145 CB SER D 76 -6.166 -4.812 4.606 1.00 0.00 C ATOM 1146 OG SER D 76 -5.258 -5.195 5.622 1.00 0.00 O ATOM 0 H SER D 76 -7.934 -4.896 2.807 1.00 0.00 H new ATOM 0 HA SER D 76 -5.185 -5.727 2.958 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.906 -3.820 4.238 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.172 -4.744 5.020 1.00 0.00 H new ATOM 0 HG SER D 76 -5.659 -5.026 6.500 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.483 -7.798 3.760 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.624 -9.232 3.927 1.00 0.00 C ATOM 1154 C ASN D 77 -6.785 -9.925 2.869 1.00 0.00 C ATOM 1155 O ASN D 77 -6.194 -10.965 3.130 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.084 -9.687 3.829 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.919 -9.229 5.007 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.621 -9.561 6.154 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -10.976 -8.481 4.738 1.00 0.00 N ATOM 0 H ASN D 77 -8.336 -7.303 3.499 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.279 -9.500 4.926 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.520 -9.300 2.908 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.118 -10.775 3.766 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.578 -8.158 5.495 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -11.189 -8.227 3.773 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.660 -9.274 1.706 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.801 -9.770 0.632 1.00 0.00 C ATOM 1168 C ASP D 78 -4.330 -9.471 0.876 1.00 0.00 C ATOM 1169 O ASP D 78 -3.472 -10.264 0.511 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.210 -9.195 -0.728 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.543 -9.714 -1.207 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.699 -10.946 -1.304 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -8.428 -8.894 -1.514 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.144 -8.403 1.488 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.935 -10.852 0.623 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.252 -8.108 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.445 -9.439 -1.465 1.00 0.00 H new ATOM 1178 N ILE D 79 -4.018 -8.296 1.387 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.621 -7.911 1.527 1.00 0.00 C ATOM 1180 C ILE D 79 -1.930 -8.788 2.571 1.00 0.00 C ATOM 1181 O ILE D 79 -0.706 -8.923 2.578 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.465 -6.413 1.890 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.347 -5.570 0.977 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -1.015 -5.980 1.715 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.307 -4.090 1.282 1.00 0.00 C ATOM 0 H ILE D 79 -4.694 -7.602 1.707 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.142 -8.063 0.560 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.763 -6.271 2.929 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -3.038 -5.726 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.376 -5.920 1.058 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.917 -4.926 1.973 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.376 -6.574 2.368 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.713 -6.130 0.678 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.960 -3.558 0.590 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.646 -3.920 2.304 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.286 -3.723 1.172 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.734 -9.454 3.389 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.230 -10.395 4.368 1.00 0.00 C ATOM 1199 C ASN D 80 -1.708 -11.664 3.702 1.00 0.00 C ATOM 1200 O ASN D 80 -0.623 -12.138 4.042 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.328 -10.732 5.371 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.707 -9.557 6.255 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -4.620 -9.655 7.071 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.999 -8.442 6.116 1.00 0.00 N ATOM 0 H ASN D 80 -3.749 -9.355 3.389 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.394 -9.931 4.892 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.212 -11.074 4.832 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.997 -11.560 5.999 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.206 -7.630 6.698 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.248 -8.397 5.427 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.438 -12.186 2.713 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.965 -13.358 1.989 1.00 0.00 C ATOM 1213 C LYS D 81 -0.815 -13.000 1.053 1.00 0.00 C ATOM 1214 O LYS D 81 0.245 -13.614 1.119 1.00 0.00 O ATOM 1215 CB LYS D 81 -3.078 -14.084 1.219 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.971 -13.195 0.383 1.00 0.00 C ATOM 1217 CD LYS D 81 -5.205 -12.790 1.159 1.00 0.00 C ATOM 1218 CE LYS D 81 -6.089 -13.979 1.514 1.00 0.00 C ATOM 1219 NZ LYS D 81 -7.291 -13.561 2.289 1.00 0.00 N1+ ATOM 0 H LYS D 81 -3.339 -11.822 2.403 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.603 -14.053 2.747 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.620 -14.828 0.567 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.698 -14.625 1.934 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.421 -12.305 0.076 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -4.264 -13.719 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.903 -12.280 2.074 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.782 -12.076 0.571 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -6.403 -14.485 0.601 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -5.514 -14.699 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -7.479 -14.256 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -7.122 -12.628 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -8.112 -13.507 1.653 1.00 0.00 H new ATOM 1233 N LEU D 82 -1.016 -11.982 0.215 1.00 0.00 N ATOM 1234 CA LEU D 82 0.012 -11.511 -0.706 1.00 0.00 C ATOM 1235 C LEU D 82 1.369 -11.310 -0.026 1.00 0.00 C ATOM 1236 O LEU D 82 2.402 -11.577 -0.636 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.453 -10.227 -1.359 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.431 -10.409 -2.522 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.719 -10.999 -3.726 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.620 -11.284 -2.163 1.00 0.00 C ATOM 0 H LEU D 82 -1.893 -11.465 0.158 1.00 0.00 H new ATOM 0 HA LEU D 82 0.160 -12.282 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.926 -9.602 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.420 -9.684 -1.720 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.813 -9.416 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.429 -11.122 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.083 -10.330 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.299 -11.969 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.278 -11.376 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.268 -12.272 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.168 -10.832 -1.336 1.00 0.00 H new ATOM 1252 N ASN D 83 1.330 -10.927 1.263 1.00 0.00 N ATOM 1253 CA ASN D 83 2.528 -10.770 2.113 1.00 0.00 C ATOM 1254 C ASN D 83 3.728 -10.259 1.308 1.00 0.00 C ATOM 1255 O ASN D 83 4.672 -11.005 1.042 1.00 0.00 O ATOM 1256 CB ASN D 83 2.865 -12.116 2.777 1.00 0.00 C ATOM 1257 CG ASN D 83 3.962 -12.036 3.832 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.364 -13.054 4.392 1.00 0.00 O ATOM 1259 ND2 ASN D 83 4.433 -10.835 4.135 1.00 0.00 N ATOM 0 H ASN D 83 0.459 -10.715 1.750 1.00 0.00 H new ATOM 0 HA ASN D 83 2.309 -10.027 2.880 1.00 0.00 H new ATOM 0 HB2 ASN D 83 1.962 -12.517 3.238 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.170 -12.823 2.005 1.00 0.00 H new ATOM 0 HD21 ASN D 83 5.151 -10.735 4.852 1.00 0.00 H new ATOM 0 HD22 ASN D 83 4.077 -10.011 3.651 1.00 0.00 H new ATOM 1266 N ILE D 84 3.626 -9.038 0.803 1.00 0.00 N ATOM 1267 CA ILE D 84 4.640 -8.522 -0.102 1.00 0.00 C ATOM 1268 C ILE D 84 5.724 -7.743 0.639 1.00 0.00 C ATOM 1269 O ILE D 84 5.557 -6.565 0.950 1.00 0.00 O ATOM 1270 CB ILE D 84 4.009 -7.643 -1.200 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.894 -8.413 -1.912 1.00 0.00 C ATOM 1272 CG2 ILE D 84 5.060 -7.204 -2.208 1.00 0.00 C ATOM 1273 CD1 ILE D 84 2.221 -7.625 -3.013 1.00 0.00 C ATOM 0 H ILE D 84 2.861 -8.394 1.002 1.00 0.00 H new ATOM 0 HA ILE D 84 5.112 -9.385 -0.572 1.00 0.00 H new ATOM 0 HB ILE D 84 3.588 -6.755 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE D 84 3.308 -9.329 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.144 -8.710 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.593 -6.585 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.834 -6.630 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.507 -8.082 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE D 84 1.442 -8.234 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.776 -6.722 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE D 84 2.959 -7.350 -3.767 1.00 0.00 H new ATOM 1285 N LYS D 85 6.854 -8.401 0.875 1.00 0.00 N ATOM 1286 CA LYS D 85 7.993 -7.767 1.530 1.00 0.00 C ATOM 1287 C LYS D 85 9.298 -7.984 0.754 1.00 0.00 C ATOM 1288 O LYS D 85 10.003 -8.966 0.946 1.00 0.00 O ATOM 1289 CB LYS D 85 8.107 -8.233 3.002 1.00 0.00 C ATOM 1290 CG LYS D 85 7.662 -9.685 3.282 1.00 0.00 C ATOM 1291 CD LYS D 85 8.439 -10.765 2.522 1.00 0.00 C ATOM 1292 CE LYS D 85 9.874 -10.952 3.021 1.00 0.00 C ATOM 1293 NZ LYS D 85 10.578 -12.022 2.262 1.00 0.00 N1+ ATOM 0 H LYS D 85 7.006 -9.377 0.621 1.00 0.00 H new ATOM 0 HA LYS D 85 7.817 -6.691 1.535 1.00 0.00 H new ATOM 0 HB2 LYS D 85 9.144 -8.123 3.319 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.511 -7.564 3.623 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.756 -9.877 4.351 1.00 0.00 H new ATOM 0 HG3 LYS D 85 6.605 -9.778 3.033 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.907 -11.712 2.608 1.00 0.00 H new ATOM 0 HD3 LYS D 85 8.462 -10.507 1.463 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.420 -10.014 2.922 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.862 -11.204 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 11.548 -12.124 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 10.069 -12.922 2.377 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 10.610 -11.769 1.254 1.00 0.00 H new ATOM 1307 N GLY D 86 9.642 -7.026 -0.097 1.00 0.00 N ATOM 1308 CA GLY D 86 10.882 -7.104 -0.850 1.00 0.00 C ATOM 1309 C GLY D 86 10.859 -8.156 -1.935 1.00 0.00 C ATOM 1310 O GLY D 86 10.093 -9.123 -1.871 1.00 0.00 O ATOM 0 H GLY D 86 9.083 -6.193 -0.281 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.087 -6.133 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.702 -7.317 -0.164 1.00 0.00 H new ATOM 1314 N PRO D 87 11.699 -7.986 -2.961 1.00 0.00 N ATOM 1315 CA PRO D 87 12.616 -6.849 -3.065 1.00 0.00 C ATOM 1316 C PRO D 87 11.996 -5.640 -3.782 1.00 0.00 C ATOM 1317 O PRO D 87 10.821 -5.684 -4.135 1.00 0.00 O ATOM 1318 CB PRO D 87 13.753 -7.453 -3.871 1.00 0.00 C ATOM 1319 CG PRO D 87 13.089 -8.409 -4.804 1.00 0.00 C ATOM 1320 CD PRO D 87 11.833 -8.898 -4.108 1.00 0.00 C ATOM 0 HA PRO D 87 12.910 -6.444 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.304 -6.686 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.469 -7.962 -3.226 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.843 -7.921 -5.747 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.751 -9.243 -5.039 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.965 -8.847 -4.765 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.930 -9.935 -3.787 1.00 0.00 H new ATOM 1328 N TYR D 88 12.801 -4.559 -3.906 1.00 0.00 N ATOM 1329 CA TYR D 88 12.404 -3.248 -4.491 1.00 0.00 C ATOM 1330 C TYR D 88 10.913 -3.129 -4.783 1.00 0.00 C ATOM 1331 O TYR D 88 10.447 -3.556 -5.837 1.00 0.00 O ATOM 1332 CB TYR D 88 13.174 -2.962 -5.788 1.00 0.00 C ATOM 1333 CG TYR D 88 14.680 -2.968 -5.638 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.414 -1.796 -5.754 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.367 -4.150 -5.408 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.791 -1.804 -5.636 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.739 -4.166 -5.286 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.447 -2.993 -5.399 1.00 0.00 C ATOM 1339 OH TYR D 88 18.817 -3.008 -5.279 1.00 0.00 O ATOM 0 H TYR D 88 13.772 -4.571 -3.595 1.00 0.00 H new ATOM 0 HA TYR D 88 12.654 -2.515 -3.724 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.893 -3.705 -6.534 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.864 -1.991 -6.173 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.901 -0.864 -5.939 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.816 -5.075 -5.323 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.350 -0.884 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.256 -5.096 -5.102 1.00 0.00 H new ATOM 0 HH TYR D 88 19.121 -3.925 -5.113 1.00 0.00 H new ATOM 1349 N ILE D 89 10.166 -2.580 -3.839 1.00 0.00 N ATOM 1350 CA ILE D 89 8.726 -2.458 -3.992 1.00 0.00 C ATOM 1351 C ILE D 89 8.294 -1.018 -4.214 1.00 0.00 C ATOM 1352 O ILE D 89 8.657 -0.124 -3.446 1.00 0.00 O ATOM 1353 CB ILE D 89 7.995 -3.009 -2.754 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.310 -4.493 -2.557 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.498 -2.835 -2.908 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.653 -5.066 -1.324 1.00 0.00 C ATOM 0 H ILE D 89 10.532 -2.213 -2.961 1.00 0.00 H new ATOM 0 HA ILE D 89 8.458 -3.042 -4.873 1.00 0.00 H new ATOM 0 HB ILE D 89 8.340 -2.452 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.979 -5.051 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.389 -4.625 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE D 89 5.993 -3.229 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.264 -1.776 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.158 -3.375 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE D 89 7.909 -6.121 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.003 -4.529 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.571 -4.961 -1.406 1.00 0.00 H new ATOM 1368 N GLU D 90 7.363 -0.844 -5.141 1.00 0.00 N ATOM 1369 CA GLU D 90 6.702 0.439 -5.316 1.00 0.00 C ATOM 1370 C GLU D 90 5.231 0.324 -4.944 1.00 0.00 C ATOM 1371 O GLU D 90 4.387 -0.006 -5.774 1.00 0.00 O ATOM 1372 CB GLU D 90 6.837 0.958 -6.746 1.00 0.00 C ATOM 1373 CG GLU D 90 8.277 1.089 -7.215 1.00 0.00 C ATOM 1374 CD GLU D 90 9.058 2.124 -6.432 1.00 0.00 C ATOM 1375 OE1 GLU D 90 10.269 2.270 -6.688 1.00 0.00 O ATOM 1376 OE2 GLU D 90 8.462 2.816 -5.582 1.00 0.00 O1- ATOM 0 H GLU D 90 7.050 -1.573 -5.781 1.00 0.00 H new ATOM 0 HA GLU D 90 7.192 1.154 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.305 0.286 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.351 1.931 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.773 0.122 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.287 1.356 -8.272 1.00 0.00 H new ATOM 1383 N ILE D 91 4.949 0.632 -3.696 1.00 0.00 N ATOM 1384 CA ILE D 91 3.602 0.623 -3.158 1.00 0.00 C ATOM 1385 C ILE D 91 3.000 2.024 -3.262 1.00 0.00 C ATOM 1386 O ILE D 91 3.325 2.913 -2.468 1.00 0.00 O ATOM 1387 CB ILE D 91 3.628 0.127 -1.683 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.912 -1.370 -1.632 1.00 0.00 C ATOM 1389 CG2 ILE D 91 2.356 0.440 -0.924 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.840 -1.951 -0.236 1.00 0.00 C ATOM 0 H ILE D 91 5.659 0.900 -3.015 1.00 0.00 H new ATOM 0 HA ILE D 91 2.978 -0.061 -3.734 1.00 0.00 H new ATOM 0 HB ILE D 91 4.431 0.674 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.197 -1.889 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.903 -1.558 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE D 91 2.440 0.067 0.097 1.00 0.00 H new ATOM 0 HG22 ILE D 91 2.200 1.519 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.511 -0.040 -1.417 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.053 -3.019 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.574 -1.458 0.402 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.841 -1.795 0.172 1.00 0.00 H new ATOM 1402 N LYS D 92 2.156 2.219 -4.280 1.00 0.00 N ATOM 1403 CA LYS D 92 1.530 3.519 -4.532 1.00 0.00 C ATOM 1404 C LYS D 92 0.324 3.380 -5.454 1.00 0.00 C ATOM 1405 O LYS D 92 0.180 2.364 -6.143 1.00 0.00 O ATOM 1406 CB LYS D 92 2.562 4.519 -5.098 1.00 0.00 C ATOM 1407 CG LYS D 92 3.284 4.089 -6.382 1.00 0.00 C ATOM 1408 CD LYS D 92 2.310 3.868 -7.517 1.00 0.00 C ATOM 1409 CE LYS D 92 2.969 3.799 -8.885 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.709 5.050 -9.213 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.891 1.491 -4.944 1.00 0.00 H new ATOM 0 HA LYS D 92 1.168 3.913 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.054 5.464 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.312 4.710 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS D 92 4.009 4.852 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.843 3.172 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS D 92 1.764 2.941 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS D 92 1.577 4.675 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS D 92 3.656 2.953 -8.914 1.00 0.00 H new ATOM 0 HE3 LYS D 92 2.209 3.618 -9.645 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.850 5.110 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 3.161 5.873 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 4.634 5.041 -8.737 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.460 4.445 -5.590 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.523 4.433 -6.581 1.00 0.00 C ATOM 1426 C GLN D 93 -1.004 4.900 -7.927 1.00 0.00 C ATOM 1427 O GLN D 93 0.032 5.556 -8.027 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.728 5.258 -6.190 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.440 6.733 -6.079 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.685 7.545 -5.795 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.649 7.505 -6.561 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.675 8.285 -4.699 1.00 0.00 N ATOM 0 H GLN D 93 -0.382 5.302 -5.043 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.856 3.397 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.517 5.105 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.110 4.898 -5.235 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.712 6.899 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.986 7.082 -7.006 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.855 8.288 -4.093 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.488 8.853 -4.460 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.647 4.401 -8.950 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.189 4.559 -10.313 1.00 0.00 C ATOM 1443 C ILE D 94 -2.185 5.339 -11.161 1.00 0.00 C ATOM 1444 O ILE D 94 -2.098 5.262 -12.402 1.00 0.00 O ATOM 1445 CB ILE D 94 -0.970 3.171 -10.909 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.226 2.340 -10.682 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.241 2.494 -10.293 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.111 0.904 -11.104 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.046 6.025 -10.581 1.00 0.00 O ATOM 0 H ILE D 94 -2.512 3.868 -8.864 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.259 5.128 -10.307 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.777 3.264 -11.978 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.482 2.374 -9.623 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.052 2.799 -11.225 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.371 1.507 -10.737 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.130 3.097 -10.481 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.093 2.391 -9.218 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.051 0.390 -10.905 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.889 0.855 -12.170 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.309 0.423 -10.544 1.00 0.00 H new