USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 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 64 TYR OH : rot 165:sc= 0.542 USER MOD Set 1.2: B 76 SER OG : rot 84:sc= 1.75 USER MOD Set 2.1: B 59 ASN : amide:sc= -4.04! X(o=-5.4!,f=-5.1) USER MOD Set 2.2: B 87 MET CE :methyl 177:sc= -1.34 (180deg=-1.43) USER MOD Set 3.1: B 22 LYS NZ :NH3+ -147:sc= 1.24 (180deg=0) USER MOD Set 3.2: B 49 TYR OH : rot 30:sc= 1.13 USER MOD Set 4.1: B 42 ASN : amide:sc= 0.758 K(o=1.4,f=0.0017) USER MOD Set 4.2: B 74 ASN : amide:sc= 0.679 K(o=1.4,f=0.0017) USER MOD Set 5.1: B 14 ASN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Set 5.2: B 31 MET CE :methyl 172:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl -168:sc= -0.0754 (180deg=-0.367) USER MOD Single : B 11 ASN : amide:sc= -0.155 K(o=-0.15,f=-4.4!) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot -80:sc= 0.363 USER MOD Single : B 17 ASN : amide:sc= -2.38 K(o=-2.4,f=-0.16) USER MOD Single : B 19 LYS NZ :NH3+ -174:sc= 1.93 (180deg=1.9) USER MOD Single : B 21 ASN : amide:sc= -0.356 K(o=-0.36,f=-1.6) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0.0992 (180deg=0.0992) USER MOD Single : B 26 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0314) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 4:sc=-0.00306 USER MOD Single : B 32 ASN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : B 34 ASN : amide:sc= -2.24! C(o=-2.2!,f=-3.8!) USER MOD Single : B 35 GLN : amide:sc= -6.83! C(o=-6.8!,f=-1.7!) 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 -166:sc= 1.26 USER MOD Single : B 41 SER OG : rot 180:sc=-0.00581 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0.00678 USER MOD Single : B 52 LYS NZ :NH3+ 149:sc= -1.49 (180deg=-2.6!) USER MOD Single : B 53 ASN : amide:sc= 0.515 K(o=0.52,f=-6!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 THR OG1 : rot 180:sc= -0.729 USER MOD Single : B 67 ASN : amide:sc= -2.79! K(o=-2.8!,f=-0.16) USER MOD Single : B 69 LYS NZ :NH3+ 172:sc= 1.13 (180deg=0.963) USER MOD Single : B 70 SER OG : rot -165:sc= -3.15! USER MOD Single : B 71 THR OG1 : rot -29:sc= 0.972 USER MOD Single : B 77 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.4!) USER MOD Single : B 80 ASN : amide:sc= 0.234 K(o=0.23,f=-7.7!) USER MOD Single : B 81 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.761) USER MOD Single : B 83 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.87) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 174:sc= 1.26 (180deg=0.935) USER MOD Single : B 93 GLN : amide:sc= -2.55! C(o=-2.5!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 10.892 -0.802 4.684 1.00 0.00 N ATOM 145 CA MET B 10 10.427 0.506 5.148 1.00 0.00 C ATOM 146 C MET B 10 9.227 0.391 6.075 1.00 0.00 C ATOM 147 O MET B 10 8.372 -0.478 5.919 1.00 0.00 O ATOM 148 CB MET B 10 10.061 1.403 3.960 1.00 0.00 C ATOM 149 CG MET B 10 11.254 1.854 3.130 1.00 0.00 C ATOM 150 SD MET B 10 12.518 2.688 4.113 1.00 0.00 S ATOM 151 CE MET B 10 11.589 4.060 4.798 1.00 0.00 C ATOM 0 HA MET B 10 11.250 0.951 5.707 1.00 0.00 H new ATOM 0 HB2 MET B 10 9.365 0.867 3.315 1.00 0.00 H new ATOM 0 HB3 MET B 10 9.537 2.284 4.332 1.00 0.00 H new ATOM 0 HG2 MET B 10 11.696 0.988 2.638 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.910 2.526 2.344 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.276 4.776 5.248 1.00 0.00 H new ATOM 0 HE2 MET B 10 11.024 4.549 4.004 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.901 3.690 5.558 1.00 0.00 H new ATOM 161 N ASN B 11 9.187 1.294 7.042 1.00 0.00 N ATOM 162 CA ASN B 11 8.137 1.352 8.045 1.00 0.00 C ATOM 163 C ASN B 11 6.751 1.341 7.416 1.00 0.00 C ATOM 164 O ASN B 11 5.792 0.865 8.021 1.00 0.00 O ATOM 165 CB ASN B 11 8.291 2.610 8.903 1.00 0.00 C ATOM 166 CG ASN B 11 9.612 2.670 9.648 1.00 0.00 C ATOM 167 OD1 ASN B 11 10.638 2.193 9.166 1.00 0.00 O ATOM 168 ND2 ASN B 11 9.597 3.260 10.830 1.00 0.00 N ATOM 0 H ASN B 11 9.896 2.019 7.153 1.00 0.00 H new ATOM 0 HA ASN B 11 8.237 0.463 8.668 1.00 0.00 H new ATOM 0 HB2 ASN B 11 8.201 3.490 8.265 1.00 0.00 H new ATOM 0 HB3 ASN B 11 7.474 2.653 9.623 1.00 0.00 H new ATOM 0 HD21 ASN B 11 10.456 3.331 11.375 1.00 0.00 H new ATOM 0 HD22 ASN B 11 8.726 3.644 11.197 1.00 0.00 H new ATOM 175 N SER B 12 6.665 1.839 6.188 1.00 0.00 N ATOM 176 CA SER B 12 5.406 1.948 5.478 1.00 0.00 C ATOM 177 C SER B 12 4.855 0.565 5.166 1.00 0.00 C ATOM 178 O SER B 12 3.647 0.359 5.139 1.00 0.00 O ATOM 179 CB SER B 12 5.626 2.726 4.185 1.00 0.00 C ATOM 180 OG SER B 12 6.416 3.879 4.426 1.00 0.00 O ATOM 0 H SER B 12 7.469 2.178 5.660 1.00 0.00 H new ATOM 0 HA SER B 12 4.684 2.474 6.103 1.00 0.00 H new ATOM 0 HB2 SER B 12 6.117 2.089 3.450 1.00 0.00 H new ATOM 0 HB3 SER B 12 4.665 3.019 3.762 1.00 0.00 H new ATOM 0 HG SER B 12 6.549 4.366 3.586 1.00 0.00 H new ATOM 186 N ILE B 13 5.757 -0.387 4.967 1.00 0.00 N ATOM 187 CA ILE B 13 5.371 -1.743 4.622 1.00 0.00 C ATOM 188 C ILE B 13 4.578 -2.362 5.764 1.00 0.00 C ATOM 189 O ILE B 13 3.681 -3.175 5.559 1.00 0.00 O ATOM 190 CB ILE B 13 6.606 -2.634 4.356 1.00 0.00 C ATOM 191 CG1 ILE B 13 7.624 -1.910 3.471 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.188 -3.950 3.715 1.00 0.00 C ATOM 193 CD1 ILE B 13 7.174 -1.710 2.039 1.00 0.00 C ATOM 0 H ILE B 13 6.764 -0.241 5.040 1.00 0.00 H new ATOM 0 HA ILE B 13 4.767 -1.689 3.716 1.00 0.00 H new ATOM 0 HB ILE B 13 7.079 -2.848 5.314 1.00 0.00 H new ATOM 0 HG12 ILE B 13 7.842 -0.937 3.910 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.556 -2.476 3.471 1.00 0.00 H new ATOM 0 HG21 ILE B 13 7.071 -4.564 3.535 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.507 -4.480 4.382 1.00 0.00 H new ATOM 0 HG23 ILE B 13 5.686 -3.750 2.768 1.00 0.00 H new ATOM 0 HD11 ILE B 13 7.953 -1.190 1.482 1.00 0.00 H new ATOM 0 HD12 ILE B 13 6.984 -2.680 1.578 1.00 0.00 H new ATOM 0 HD13 ILE B 13 6.260 -1.116 2.024 1.00 0.00 H new ATOM 205 N ASN B 14 4.910 -1.930 6.967 1.00 0.00 N ATOM 206 CA ASN B 14 4.376 -2.515 8.182 1.00 0.00 C ATOM 207 C ASN B 14 3.120 -1.777 8.632 1.00 0.00 C ATOM 208 O ASN B 14 2.117 -2.396 8.984 1.00 0.00 O ATOM 209 CB ASN B 14 5.447 -2.469 9.275 1.00 0.00 C ATOM 210 CG ASN B 14 6.737 -3.150 8.846 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.930 -4.343 9.074 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.631 -2.392 8.216 1.00 0.00 N ATOM 0 H ASN B 14 5.560 -1.161 7.129 1.00 0.00 H new ATOM 0 HA ASN B 14 4.100 -3.552 7.988 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.655 -1.431 9.534 1.00 0.00 H new ATOM 0 HB3 ASN B 14 5.066 -2.951 10.175 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.513 -2.797 7.904 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.434 -1.406 8.045 1.00 0.00 H new ATOM 219 N SER B 15 3.171 -0.451 8.593 1.00 0.00 N ATOM 220 CA SER B 15 2.061 0.369 9.029 1.00 0.00 C ATOM 221 C SER B 15 0.896 0.279 8.052 1.00 0.00 C ATOM 222 O SER B 15 -0.253 0.114 8.459 1.00 0.00 O ATOM 223 CB SER B 15 2.520 1.817 9.180 1.00 0.00 C ATOM 224 OG SER B 15 3.235 2.241 8.031 1.00 0.00 O ATOM 0 H SER B 15 3.978 0.077 8.260 1.00 0.00 H new ATOM 0 HA SER B 15 1.715 -0.000 9.994 1.00 0.00 H new ATOM 0 HB2 SER B 15 1.656 2.463 9.335 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.152 1.913 10.063 1.00 0.00 H new ATOM 0 HG SER B 15 4.155 1.907 8.076 1.00 0.00 H new ATOM 230 N VAL B 16 1.205 0.371 6.762 1.00 0.00 N ATOM 231 CA VAL B 16 0.189 0.309 5.720 1.00 0.00 C ATOM 232 C VAL B 16 -0.414 -1.091 5.641 1.00 0.00 C ATOM 233 O VAL B 16 -1.588 -1.251 5.304 1.00 0.00 O ATOM 234 CB VAL B 16 0.766 0.727 4.352 1.00 0.00 C ATOM 235 CG1 VAL B 16 -0.256 0.559 3.239 1.00 0.00 C ATOM 236 CG2 VAL B 16 1.247 2.166 4.409 1.00 0.00 C ATOM 0 H VAL B 16 2.156 0.489 6.413 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.601 1.014 5.981 1.00 0.00 H new ATOM 0 HB VAL B 16 1.609 0.073 4.130 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.186 0.863 2.290 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -0.560 -0.486 3.179 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -1.128 1.179 3.449 1.00 0.00 H new ATOM 0 HG21 VAL B 16 1.653 2.453 3.439 1.00 0.00 H new ATOM 0 HG22 VAL B 16 0.411 2.819 4.660 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.023 2.261 5.169 1.00 0.00 H new ATOM 246 N ASN B 17 0.394 -2.093 5.982 1.00 0.00 N ATOM 247 CA ASN B 17 -0.076 -3.474 6.064 1.00 0.00 C ATOM 248 C ASN B 17 -1.291 -3.564 6.977 1.00 0.00 C ATOM 249 O ASN B 17 -2.303 -4.168 6.628 1.00 0.00 O ATOM 250 CB ASN B 17 1.039 -4.382 6.599 1.00 0.00 C ATOM 251 CG ASN B 17 0.598 -5.820 6.826 1.00 0.00 C ATOM 252 OD1 ASN B 17 1.054 -6.477 7.761 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.281 -6.322 5.977 1.00 0.00 N ATOM 0 H ASN B 17 1.382 -1.973 6.207 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.357 -3.804 5.064 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.872 -4.373 5.896 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.410 -3.972 7.538 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.603 -7.284 6.085 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.638 -5.748 5.213 1.00 0.00 H new ATOM 260 N ASP B 18 -1.182 -2.937 8.135 1.00 0.00 N ATOM 261 CA ASP B 18 -2.257 -2.928 9.105 1.00 0.00 C ATOM 262 C ASP B 18 -3.325 -1.911 8.714 1.00 0.00 C ATOM 263 O ASP B 18 -4.516 -2.192 8.786 1.00 0.00 O ATOM 264 CB ASP B 18 -1.688 -2.591 10.482 1.00 0.00 C ATOM 265 CG ASP B 18 -1.798 -3.740 11.462 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.951 -4.655 11.410 1.00 0.00 O ATOM 267 OD2 ASP B 18 -2.721 -3.731 12.302 1.00 0.00 O1- ATOM 0 H ASP B 18 -0.350 -2.423 8.426 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.721 -3.914 9.133 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.641 -2.308 10.377 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -2.213 -1.725 10.885 1.00 0.00 H new ATOM 272 N LYS B 19 -2.879 -0.736 8.274 1.00 0.00 N ATOM 273 CA LYS B 19 -3.759 0.365 7.941 1.00 0.00 C ATOM 274 C LYS B 19 -4.766 -0.003 6.849 1.00 0.00 C ATOM 275 O LYS B 19 -5.947 0.338 6.937 1.00 0.00 O ATOM 276 CB LYS B 19 -2.880 1.518 7.486 1.00 0.00 C ATOM 277 CG LYS B 19 -3.260 2.853 8.072 1.00 0.00 C ATOM 278 CD LYS B 19 -4.399 3.524 7.320 1.00 0.00 C ATOM 279 CE LYS B 19 -3.930 4.136 6.009 1.00 0.00 C ATOM 280 NZ LYS B 19 -4.949 5.047 5.418 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.890 -0.527 8.140 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.349 0.635 8.816 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.846 1.298 7.751 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.923 1.586 6.399 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.549 2.718 9.114 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.390 3.509 8.065 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -5.182 2.793 7.120 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.840 4.300 7.946 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.006 4.688 6.178 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.701 3.341 5.300 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.631 5.361 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.854 4.543 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.075 5.874 6.036 1.00 0.00 H new ATOM 294 N LEU B 20 -4.301 -0.696 5.821 1.00 0.00 N ATOM 295 CA LEU B 20 -5.160 -1.062 4.703 1.00 0.00 C ATOM 296 C LEU B 20 -6.016 -2.283 5.025 1.00 0.00 C ATOM 297 O LEU B 20 -7.090 -2.463 4.455 1.00 0.00 O ATOM 298 CB LEU B 20 -4.328 -1.319 3.451 1.00 0.00 C ATOM 299 CG LEU B 20 -3.776 -0.071 2.763 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.149 -0.436 1.426 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.866 0.974 2.579 1.00 0.00 C ATOM 0 H LEU B 20 -3.336 -1.016 5.737 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.831 -0.223 4.519 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.492 -1.966 3.717 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.940 -1.867 2.735 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.003 0.358 3.401 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.761 0.464 0.949 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.334 -1.142 1.587 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.902 -0.892 0.783 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.448 1.853 2.087 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.666 0.561 1.965 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.265 1.258 3.552 1.00 0.00 H new ATOM 313 N ASN B 21 -5.556 -3.100 5.959 1.00 0.00 N ATOM 314 CA ASN B 21 -6.233 -4.352 6.279 1.00 0.00 C ATOM 315 C ASN B 21 -6.982 -4.253 7.609 1.00 0.00 C ATOM 316 O ASN B 21 -6.574 -4.842 8.606 1.00 0.00 O ATOM 317 CB ASN B 21 -5.214 -5.493 6.339 1.00 0.00 C ATOM 318 CG ASN B 21 -5.850 -6.850 6.587 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.965 -7.125 6.140 1.00 0.00 O ATOM 320 ND2 ASN B 21 -5.148 -7.704 7.316 1.00 0.00 N ATOM 0 H ASN B 21 -4.717 -2.921 6.510 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.962 -4.554 5.494 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.658 -5.525 5.402 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.493 -5.287 7.130 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.527 -8.627 7.526 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -4.228 -7.438 7.668 1.00 0.00 H new ATOM 327 N LYS B 22 -8.069 -3.491 7.623 1.00 0.00 N ATOM 328 CA LYS B 22 -8.926 -3.404 8.806 1.00 0.00 C ATOM 329 C LYS B 22 -10.402 -3.423 8.410 1.00 0.00 C ATOM 330 O LYS B 22 -11.004 -4.489 8.279 1.00 0.00 O ATOM 331 CB LYS B 22 -8.607 -2.160 9.636 1.00 0.00 C ATOM 332 CG LYS B 22 -7.233 -2.205 10.293 1.00 0.00 C ATOM 333 CD LYS B 22 -7.081 -1.142 11.359 1.00 0.00 C ATOM 334 CE LYS B 22 -7.603 0.177 10.862 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.702 1.190 11.946 1.00 0.00 N1+ ATOM 0 H LYS B 22 -8.380 -2.925 6.833 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.724 -4.278 9.425 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.666 -1.280 8.995 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -9.367 -2.043 10.409 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -7.075 -3.188 10.736 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -6.463 -2.070 9.533 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -7.622 -1.439 12.258 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.032 -1.044 11.637 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -6.947 0.552 10.076 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.586 0.031 10.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -8.511 1.818 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -7.837 0.710 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.828 1.752 11.977 1.00 0.00 H new ATOM 349 N GLY B 23 -10.977 -2.245 8.202 1.00 0.00 N ATOM 350 CA GLY B 23 -12.352 -2.154 7.741 1.00 0.00 C ATOM 351 C GLY B 23 -12.421 -2.066 6.241 1.00 0.00 C ATOM 352 O GLY B 23 -13.281 -1.386 5.695 1.00 0.00 O ATOM 0 H GLY B 23 -10.515 -1.347 8.345 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -12.911 -3.026 8.082 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.828 -1.278 8.181 1.00 0.00 H new ATOM 356 N LYS B 24 -11.471 -2.716 5.584 1.00 0.00 N ATOM 357 CA LYS B 24 -11.468 -2.833 4.144 1.00 0.00 C ATOM 358 C LYS B 24 -11.412 -4.309 3.785 1.00 0.00 C ATOM 359 O LYS B 24 -11.690 -5.165 4.624 1.00 0.00 O ATOM 360 CB LYS B 24 -10.275 -2.113 3.498 1.00 0.00 C ATOM 361 CG LYS B 24 -10.017 -0.688 3.974 1.00 0.00 C ATOM 362 CD LYS B 24 -9.491 -0.619 5.405 1.00 0.00 C ATOM 363 CE LYS B 24 -9.151 0.803 5.822 1.00 0.00 C ATOM 364 NZ LYS B 24 -7.916 1.309 5.168 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.683 -3.175 6.040 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.375 -2.362 3.764 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.377 -2.704 3.680 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.429 -2.092 2.419 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -9.298 -0.213 3.306 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.942 -0.116 3.906 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -10.238 -1.027 6.085 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -8.603 -1.245 5.495 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -9.985 1.460 5.574 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.027 0.841 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -7.728 2.281 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -7.113 0.700 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -8.041 1.300 4.136 1.00 0.00 H new ATOM 378 N GLY B 25 -11.058 -4.604 2.547 1.00 0.00 N ATOM 379 CA GLY B 25 -10.932 -5.986 2.136 1.00 0.00 C ATOM 380 C GLY B 25 -9.764 -6.657 2.825 1.00 0.00 C ATOM 381 O GLY B 25 -8.750 -6.009 3.085 1.00 0.00 O ATOM 0 H GLY B 25 -10.856 -3.916 1.821 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -11.852 -6.523 2.368 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -10.798 -6.036 1.055 1.00 0.00 H new ATOM 385 N LYS B 26 -9.910 -7.939 3.141 1.00 0.00 N ATOM 386 CA LYS B 26 -8.831 -8.685 3.778 1.00 0.00 C ATOM 387 C LYS B 26 -7.641 -8.722 2.846 1.00 0.00 C ATOM 388 O LYS B 26 -7.815 -8.786 1.636 1.00 0.00 O ATOM 389 CB LYS B 26 -9.252 -10.119 4.086 1.00 0.00 C ATOM 390 CG LYS B 26 -10.616 -10.244 4.733 1.00 0.00 C ATOM 391 CD LYS B 26 -10.940 -11.693 5.045 1.00 0.00 C ATOM 392 CE LYS B 26 -12.419 -11.885 5.312 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.880 -11.098 6.487 1.00 0.00 N1+ ATOM 0 H LYS B 26 -10.757 -8.480 2.968 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.579 -8.187 4.714 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.249 -10.693 3.159 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -8.509 -10.570 4.743 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.642 -9.656 5.651 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.376 -9.833 4.069 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.635 -12.323 4.210 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.367 -12.016 5.914 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.988 -11.588 4.431 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.623 -12.942 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.865 -11.348 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.277 -11.312 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.821 -10.083 6.270 1.00 0.00 H new ATOM 407 N LEU B 27 -6.448 -8.669 3.397 1.00 0.00 N ATOM 408 CA LEU B 27 -5.252 -8.664 2.607 1.00 0.00 C ATOM 409 C LEU B 27 -4.101 -9.315 3.360 1.00 0.00 C ATOM 410 O LEU B 27 -3.708 -8.863 4.438 1.00 0.00 O ATOM 411 CB LEU B 27 -4.930 -7.228 2.257 1.00 0.00 C ATOM 412 CG LEU B 27 -5.245 -6.823 0.830 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.070 -5.325 0.658 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.363 -7.576 -0.151 1.00 0.00 C ATOM 0 H LEU B 27 -6.288 -8.628 4.403 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.403 -9.243 1.696 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.481 -6.574 2.933 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -3.870 -7.055 2.441 1.00 0.00 H new ATOM 0 HG LEU B 27 -6.283 -7.080 0.621 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -5.299 -5.048 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.745 -4.800 1.334 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.040 -5.050 0.887 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.606 -7.270 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.316 -7.352 0.055 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.533 -8.647 -0.044 1.00 0.00 H new ATOM 426 N SER B 28 -3.589 -10.392 2.800 1.00 0.00 N ATOM 427 CA SER B 28 -2.448 -11.087 3.363 1.00 0.00 C ATOM 428 C SER B 28 -1.188 -10.666 2.625 1.00 0.00 C ATOM 429 O SER B 28 -0.896 -11.174 1.545 1.00 0.00 O ATOM 430 CB SER B 28 -2.655 -12.593 3.246 1.00 0.00 C ATOM 431 OG SER B 28 -3.927 -12.969 3.752 1.00 0.00 O ATOM 0 H SER B 28 -3.951 -10.810 1.943 1.00 0.00 H new ATOM 0 HA SER B 28 -2.344 -10.830 4.417 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.570 -12.896 2.202 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.872 -13.116 3.795 1.00 0.00 H new ATOM 0 HG SER B 28 -4.040 -13.939 3.666 1.00 0.00 H new ATOM 437 N LEU B 29 -0.455 -9.726 3.201 1.00 0.00 N ATOM 438 CA LEU B 29 0.679 -9.123 2.515 1.00 0.00 C ATOM 439 C LEU B 29 1.950 -9.925 2.702 1.00 0.00 C ATOM 440 O LEU B 29 2.059 -10.769 3.590 1.00 0.00 O ATOM 441 CB LEU B 29 0.927 -7.685 2.982 1.00 0.00 C ATOM 442 CG LEU B 29 0.017 -6.609 2.377 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.428 -6.794 2.810 1.00 0.00 C ATOM 444 CD2 LEU B 29 0.515 -5.224 2.760 1.00 0.00 C ATOM 0 H LEU B 29 -0.624 -9.364 4.140 1.00 0.00 H new ATOM 0 HA LEU B 29 0.417 -9.117 1.457 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.820 -7.654 4.066 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.961 -7.425 2.756 1.00 0.00 H new ATOM 0 HG LEU B 29 0.052 -6.711 1.292 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.045 -6.014 2.363 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.784 -7.771 2.482 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.493 -6.730 3.896 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.139 -4.469 2.324 1.00 0.00 H new ATOM 0 HD22 LEU B 29 0.513 -5.124 3.845 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.529 -5.085 2.385 1.00 0.00 H new ATOM 456 N SER B 30 2.900 -9.636 1.839 1.00 0.00 N ATOM 457 CA SER B 30 4.212 -10.235 1.871 1.00 0.00 C ATOM 458 C SER B 30 5.238 -9.215 1.392 1.00 0.00 C ATOM 459 O SER B 30 4.926 -8.358 0.559 1.00 0.00 O ATOM 460 CB SER B 30 4.229 -11.478 0.991 1.00 0.00 C ATOM 461 OG SER B 30 3.417 -11.300 -0.159 1.00 0.00 O ATOM 0 H SER B 30 2.777 -8.964 1.081 1.00 0.00 H new ATOM 0 HA SER B 30 4.463 -10.534 2.889 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.252 -11.698 0.687 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.874 -12.336 1.561 1.00 0.00 H new ATOM 0 HG SER B 30 3.062 -10.387 -0.170 1.00 0.00 H new ATOM 467 N MET B 31 6.450 -9.301 1.914 1.00 0.00 N ATOM 468 CA MET B 31 7.462 -8.291 1.641 1.00 0.00 C ATOM 469 C MET B 31 8.388 -8.714 0.507 1.00 0.00 C ATOM 470 O MET B 31 8.772 -9.880 0.400 1.00 0.00 O ATOM 471 CB MET B 31 8.276 -7.990 2.902 1.00 0.00 C ATOM 472 CG MET B 31 7.430 -7.495 4.065 1.00 0.00 C ATOM 473 SD MET B 31 8.419 -6.953 5.472 1.00 0.00 S ATOM 474 CE MET B 31 7.128 -6.565 6.650 1.00 0.00 C ATOM 0 H MET B 31 6.758 -10.056 2.527 1.00 0.00 H new ATOM 0 HA MET B 31 6.943 -7.385 1.329 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.806 -8.892 3.207 1.00 0.00 H new ATOM 0 HB3 MET B 31 9.031 -7.240 2.667 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.805 -6.669 3.727 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.759 -8.292 4.385 1.00 0.00 H new ATOM 0 HE1 MET B 31 7.574 -6.350 7.621 1.00 0.00 H new ATOM 0 HE2 MET B 31 6.571 -5.693 6.306 1.00 0.00 H new ATOM 0 HE3 MET B 31 6.451 -7.415 6.741 1.00 0.00 H new ATOM 484 N ASN B 32 8.720 -7.751 -0.340 1.00 0.00 N ATOM 485 CA ASN B 32 9.650 -7.955 -1.447 1.00 0.00 C ATOM 486 C ASN B 32 10.238 -6.613 -1.847 1.00 0.00 C ATOM 487 O ASN B 32 9.654 -5.890 -2.656 1.00 0.00 O ATOM 488 CB ASN B 32 8.937 -8.598 -2.642 1.00 0.00 C ATOM 489 CG ASN B 32 9.849 -8.822 -3.838 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.517 -9.852 -3.939 1.00 0.00 O ATOM 491 ND2 ASN B 32 9.862 -7.873 -4.763 1.00 0.00 N ATOM 0 H ASN B 32 8.352 -6.802 -0.281 1.00 0.00 H new ATOM 0 HA ASN B 32 10.447 -8.628 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.514 -9.554 -2.332 1.00 0.00 H new ATOM 0 HB3 ASN B 32 8.104 -7.963 -2.943 1.00 0.00 H new ATOM 0 HD21 ASN B 32 10.440 -7.981 -5.596 1.00 0.00 H new ATOM 0 HD22 ASN B 32 9.294 -7.035 -4.641 1.00 0.00 H new ATOM 498 N GLY B 33 11.371 -6.268 -1.259 1.00 0.00 N ATOM 499 CA GLY B 33 11.918 -4.944 -1.456 1.00 0.00 C ATOM 500 C GLY B 33 11.051 -3.908 -0.782 1.00 0.00 C ATOM 501 O GLY B 33 11.148 -3.697 0.426 1.00 0.00 O ATOM 0 H GLY B 33 11.919 -6.877 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.930 -4.898 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.990 -4.729 -2.522 1.00 0.00 H new ATOM 505 N ASN B 34 10.185 -3.287 -1.565 1.00 0.00 N ATOM 506 CA ASN B 34 9.206 -2.344 -1.054 1.00 0.00 C ATOM 507 C ASN B 34 7.917 -2.532 -1.823 1.00 0.00 C ATOM 508 O ASN B 34 7.069 -1.642 -1.885 1.00 0.00 O ATOM 509 CB ASN B 34 9.689 -0.893 -1.176 1.00 0.00 C ATOM 510 CG ASN B 34 10.759 -0.532 -0.172 1.00 0.00 C ATOM 511 OD1 ASN B 34 11.686 0.220 -0.470 1.00 0.00 O ATOM 512 ND2 ASN B 34 10.618 -1.026 1.038 1.00 0.00 N ATOM 0 H ASN B 34 10.141 -3.423 -2.575 1.00 0.00 H new ATOM 0 HA ASN B 34 9.051 -2.538 0.007 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.075 -0.729 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN B 34 8.839 -0.223 -1.048 1.00 0.00 H new ATOM 0 HD21 ASN B 34 11.290 -0.789 1.767 1.00 0.00 H new ATOM 0 HD22 ASN B 34 9.836 -1.647 1.248 1.00 0.00 H new ATOM 519 N GLN B 35 7.783 -3.710 -2.413 1.00 0.00 N ATOM 520 CA GLN B 35 6.667 -4.031 -3.234 1.00 0.00 C ATOM 521 C GLN B 35 5.538 -4.539 -2.353 1.00 0.00 C ATOM 522 O GLN B 35 5.764 -5.010 -1.236 1.00 0.00 O ATOM 523 CB GLN B 35 7.129 -5.091 -4.235 1.00 0.00 C ATOM 524 CG GLN B 35 6.195 -6.215 -4.409 1.00 0.00 C ATOM 525 CD GLN B 35 5.145 -5.997 -5.492 1.00 0.00 C ATOM 526 OE1 GLN B 35 4.668 -6.945 -6.104 1.00 0.00 O ATOM 527 NE2 GLN B 35 4.803 -4.748 -5.757 1.00 0.00 N ATOM 0 H GLN B 35 8.463 -4.465 -2.323 1.00 0.00 H new ATOM 0 HA GLN B 35 6.295 -3.163 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.288 -4.614 -5.202 1.00 0.00 H new ATOM 0 HB3 GLN B 35 8.093 -5.483 -3.911 1.00 0.00 H new ATOM 0 HG2 GLN B 35 6.766 -7.112 -4.648 1.00 0.00 H new ATOM 0 HG3 GLN B 35 5.689 -6.402 -3.462 1.00 0.00 H new ATOM 0 HE21 GLN B 35 5.220 -3.982 -5.228 1.00 0.00 H new ATOM 0 HE22 GLN B 35 4.122 -4.550 -6.491 1.00 0.00 H new ATOM 536 N LEU B 36 4.342 -4.455 -2.869 1.00 0.00 N ATOM 537 CA LEU B 36 3.167 -4.881 -2.142 1.00 0.00 C ATOM 538 C LEU B 36 2.594 -6.111 -2.814 1.00 0.00 C ATOM 539 O LEU B 36 1.885 -6.020 -3.815 1.00 0.00 O ATOM 540 CB LEU B 36 2.120 -3.774 -2.098 1.00 0.00 C ATOM 541 CG LEU B 36 1.174 -3.800 -0.888 1.00 0.00 C ATOM 542 CD1 LEU B 36 0.304 -2.556 -0.872 1.00 0.00 C ATOM 543 CD2 LEU B 36 0.299 -5.047 -0.895 1.00 0.00 C ATOM 0 H LEU B 36 4.150 -4.091 -3.802 1.00 0.00 H new ATOM 0 HA LEU B 36 3.450 -5.114 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.633 -2.813 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU B 36 1.520 -3.830 -3.006 1.00 0.00 H new ATOM 0 HG LEU B 36 1.787 -3.821 0.013 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.361 -2.588 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.936 -1.670 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.289 -2.515 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.359 -5.035 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.302 -5.065 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.930 -5.935 -0.860 1.00 0.00 H new ATOM 555 N LYS B 37 2.931 -7.251 -2.267 1.00 0.00 N ATOM 556 CA LYS B 37 2.438 -8.518 -2.772 1.00 0.00 C ATOM 557 C LYS B 37 1.509 -9.106 -1.735 1.00 0.00 C ATOM 558 O LYS B 37 1.814 -9.062 -0.543 1.00 0.00 O ATOM 559 CB LYS B 37 3.593 -9.477 -3.061 1.00 0.00 C ATOM 560 CG LYS B 37 4.885 -8.760 -3.422 1.00 0.00 C ATOM 561 CD LYS B 37 5.850 -9.634 -4.193 1.00 0.00 C ATOM 562 CE LYS B 37 6.323 -10.820 -3.365 1.00 0.00 C ATOM 563 NZ LYS B 37 7.211 -11.724 -4.141 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.552 -7.333 -1.462 1.00 0.00 H new ATOM 0 HA LYS B 37 1.905 -8.360 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS B 37 3.764 -10.104 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.311 -10.140 -3.879 1.00 0.00 H new ATOM 0 HG2 LYS B 37 4.650 -7.876 -4.015 1.00 0.00 H new ATOM 0 HG3 LYS B 37 5.368 -8.412 -2.509 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.368 -9.994 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.710 -9.041 -4.503 1.00 0.00 H new ATOM 0 HE2 LYS B 37 6.854 -10.458 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.459 -11.380 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 7.510 -12.518 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.697 -12.090 -4.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 8.049 -11.197 -4.460 1.00 0.00 H new ATOM 577 N ALA B 38 0.386 -9.647 -2.170 1.00 0.00 N ATOM 578 CA ALA B 38 -0.651 -10.052 -1.233 1.00 0.00 C ATOM 579 C ALA B 38 -1.789 -10.795 -1.914 1.00 0.00 C ATOM 580 O ALA B 38 -1.869 -10.848 -3.142 1.00 0.00 O ATOM 581 CB ALA B 38 -1.203 -8.822 -0.528 1.00 0.00 C ATOM 0 H ALA B 38 0.168 -9.815 -3.152 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.196 -10.735 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.980 -9.123 0.174 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.400 -8.321 0.012 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -1.625 -8.139 -1.265 1.00 0.00 H new ATOM 587 N THR B 39 -2.657 -11.369 -1.090 1.00 0.00 N ATOM 588 CA THR B 39 -3.908 -11.945 -1.543 1.00 0.00 C ATOM 589 C THR B 39 -5.040 -11.369 -0.703 1.00 0.00 C ATOM 590 O THR B 39 -4.883 -11.185 0.506 1.00 0.00 O ATOM 591 CB THR B 39 -3.898 -13.476 -1.422 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.297 -13.870 -0.179 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.150 -14.115 -2.583 1.00 0.00 C ATOM 0 H THR B 39 -2.508 -11.446 -0.084 1.00 0.00 H new ATOM 0 HA THR B 39 -4.049 -11.698 -2.595 1.00 0.00 H new ATOM 0 HB THR B 39 -4.931 -13.822 -1.449 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.297 -14.848 -0.111 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.160 -15.199 -2.470 1.00 0.00 H new ATOM 0 HG22 THR B 39 -3.634 -13.844 -3.521 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.119 -13.760 -2.591 1.00 0.00 H new ATOM 601 N SER B 40 -6.167 -11.073 -1.322 1.00 0.00 N ATOM 602 CA SER B 40 -7.208 -10.324 -0.637 1.00 0.00 C ATOM 603 C SER B 40 -8.549 -11.056 -0.619 1.00 0.00 C ATOM 604 O SER B 40 -8.752 -12.034 -1.344 1.00 0.00 O ATOM 605 CB SER B 40 -7.354 -8.950 -1.291 1.00 0.00 C ATOM 606 OG SER B 40 -7.662 -9.065 -2.669 1.00 0.00 O ATOM 0 H SER B 40 -6.385 -11.334 -2.284 1.00 0.00 H new ATOM 0 HA SER B 40 -6.906 -10.212 0.404 1.00 0.00 H new ATOM 0 HB2 SER B 40 -8.139 -8.387 -0.787 1.00 0.00 H new ATOM 0 HB3 SER B 40 -6.429 -8.387 -1.169 1.00 0.00 H new ATOM 0 HG SER B 40 -7.539 -8.196 -3.105 1.00 0.00 H new ATOM 612 N SER B 41 -9.452 -10.581 0.237 1.00 0.00 N ATOM 613 CA SER B 41 -10.805 -11.122 0.314 1.00 0.00 C ATOM 614 C SER B 41 -11.832 -9.995 0.297 1.00 0.00 C ATOM 615 O SER B 41 -11.527 -8.851 0.645 1.00 0.00 O ATOM 616 CB SER B 41 -10.979 -11.965 1.573 1.00 0.00 C ATOM 617 OG SER B 41 -12.257 -12.579 1.615 1.00 0.00 O ATOM 0 H SER B 41 -9.268 -9.819 0.889 1.00 0.00 H new ATOM 0 HA SER B 41 -10.965 -11.759 -0.556 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.205 -12.731 1.609 1.00 0.00 H new ATOM 0 HB3 SER B 41 -10.847 -11.337 2.454 1.00 0.00 H new ATOM 0 HG SER B 41 -12.337 -13.113 2.433 1.00 0.00 H new ATOM 623 N ASN B 42 -13.053 -10.334 -0.089 1.00 0.00 N ATOM 624 CA ASN B 42 -14.100 -9.346 -0.312 1.00 0.00 C ATOM 625 C ASN B 42 -15.260 -9.543 0.650 1.00 0.00 C ATOM 626 O ASN B 42 -16.362 -9.042 0.422 1.00 0.00 O ATOM 627 CB ASN B 42 -14.609 -9.420 -1.753 1.00 0.00 C ATOM 628 CG ASN B 42 -13.514 -9.178 -2.768 1.00 0.00 C ATOM 629 OD1 ASN B 42 -12.896 -10.114 -3.273 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.253 -7.917 -3.057 1.00 0.00 N ATOM 0 H ASN B 42 -13.346 -11.297 -0.256 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.667 -8.362 -0.133 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.052 -10.400 -1.928 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.400 -8.683 -1.894 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.514 -7.689 -3.722 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.790 -7.171 -2.615 1.00 0.00 H new ATOM 637 N ALA B 43 -15.003 -10.268 1.726 1.00 0.00 N ATOM 638 CA ALA B 43 -16.053 -10.658 2.670 1.00 0.00 C ATOM 639 C ALA B 43 -16.693 -9.462 3.361 1.00 0.00 C ATOM 640 O ALA B 43 -17.816 -9.546 3.855 1.00 0.00 O ATOM 641 CB ALA B 43 -15.502 -11.621 3.704 1.00 0.00 C ATOM 0 H ALA B 43 -14.072 -10.603 1.974 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.833 -11.151 2.089 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -16.294 -11.902 4.398 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -15.124 -12.513 3.205 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -14.692 -11.141 4.253 1.00 0.00 H new ATOM 647 N GLY B 44 -15.979 -8.357 3.388 1.00 0.00 N ATOM 648 CA GLY B 44 -16.487 -7.163 4.028 1.00 0.00 C ATOM 649 C GLY B 44 -16.092 -5.909 3.286 1.00 0.00 C ATOM 650 O GLY B 44 -16.940 -5.076 2.993 1.00 0.00 O ATOM 0 H GLY B 44 -15.051 -8.261 2.977 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.574 -7.220 4.090 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.112 -7.112 5.050 1.00 0.00 H new ATOM 654 N TYR B 45 -14.802 -5.818 2.960 1.00 0.00 N ATOM 655 CA TYR B 45 -14.184 -4.670 2.302 1.00 0.00 C ATOM 656 C TYR B 45 -14.450 -3.329 3.010 1.00 0.00 C ATOM 657 O TYR B 45 -14.815 -3.308 4.178 1.00 0.00 O ATOM 658 CB TYR B 45 -14.528 -4.612 0.811 1.00 0.00 C ATOM 659 CG TYR B 45 -15.979 -4.286 0.467 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.527 -3.039 0.751 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.800 -5.233 -0.135 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.838 -2.745 0.454 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.119 -4.942 -0.439 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.632 -3.698 -0.141 1.00 0.00 C ATOM 665 OH TYR B 45 -19.944 -3.404 -0.438 1.00 0.00 O ATOM 0 H TYR B 45 -14.138 -6.567 3.154 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.109 -4.831 2.385 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.888 -3.865 0.340 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.278 -5.574 0.364 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.909 -2.285 1.215 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.403 -6.210 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.242 -1.771 0.687 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.744 -5.687 -0.908 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.367 -4.183 -0.856 1.00 0.00 H new ATOM 675 N GLY B 46 -14.192 -2.220 2.300 1.00 0.00 N ATOM 676 CA GLY B 46 -14.273 -0.888 2.877 1.00 0.00 C ATOM 677 C GLY B 46 -15.633 -0.534 3.468 1.00 0.00 C ATOM 678 O GLY B 46 -16.567 -0.189 2.740 1.00 0.00 O ATOM 0 H GLY B 46 -13.924 -2.231 1.316 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.518 -0.798 3.658 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.025 -0.157 2.107 1.00 0.00 H new ATOM 682 N ILE B 47 -15.739 -0.640 4.792 1.00 0.00 N ATOM 683 CA ILE B 47 -16.928 -0.215 5.526 1.00 0.00 C ATOM 684 C ILE B 47 -16.646 1.046 6.325 1.00 0.00 C ATOM 685 O ILE B 47 -17.181 2.118 6.047 1.00 0.00 O ATOM 686 CB ILE B 47 -17.376 -1.275 6.549 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.099 -2.676 6.033 1.00 0.00 C ATOM 688 CG2 ILE B 47 -18.853 -1.104 6.878 1.00 0.00 C ATOM 689 CD1 ILE B 47 -17.931 -3.053 4.846 1.00 0.00 C ATOM 0 H ILE B 47 -15.003 -1.023 5.385 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.701 -0.052 4.775 1.00 0.00 H new ATOM 0 HB ILE B 47 -16.800 -1.134 7.463 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -16.045 -2.754 5.767 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.280 -3.392 6.835 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.154 -1.861 7.602 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.020 -0.112 7.299 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.444 -1.216 5.969 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -17.679 -4.066 4.532 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -18.987 -3.007 5.113 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -17.733 -2.360 4.028 1.00 0.00 H new ATOM 701 N SER B 48 -15.794 0.870 7.335 1.00 0.00 N ATOM 702 CA SER B 48 -15.485 1.893 8.324 1.00 0.00 C ATOM 703 C SER B 48 -15.094 3.219 7.690 1.00 0.00 C ATOM 704 O SER B 48 -15.763 4.236 7.869 1.00 0.00 O ATOM 705 CB SER B 48 -14.345 1.389 9.199 1.00 0.00 C ATOM 706 OG SER B 48 -14.635 0.101 9.719 1.00 0.00 O ATOM 0 H SER B 48 -15.292 -0.005 7.488 1.00 0.00 H new ATOM 0 HA SER B 48 -16.383 2.076 8.914 1.00 0.00 H new ATOM 0 HB2 SER B 48 -13.424 1.351 8.617 1.00 0.00 H new ATOM 0 HB3 SER B 48 -14.175 2.087 10.019 1.00 0.00 H new ATOM 0 HG SER B 48 -13.888 -0.203 10.276 1.00 0.00 H new ATOM 712 N TYR B 49 -14.007 3.191 6.955 1.00 0.00 N ATOM 713 CA TYR B 49 -13.458 4.390 6.351 1.00 0.00 C ATOM 714 C TYR B 49 -14.157 4.701 5.041 1.00 0.00 C ATOM 715 O TYR B 49 -14.259 3.852 4.154 1.00 0.00 O ATOM 716 CB TYR B 49 -11.957 4.217 6.147 1.00 0.00 C ATOM 717 CG TYR B 49 -11.234 3.932 7.439 1.00 0.00 C ATOM 718 CD1 TYR B 49 -10.803 4.966 8.258 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.002 2.628 7.851 1.00 0.00 C ATOM 720 CE1 TYR B 49 -10.158 4.706 9.451 1.00 0.00 C ATOM 721 CE2 TYR B 49 -10.363 2.359 9.041 1.00 0.00 C ATOM 722 CZ TYR B 49 -9.941 3.401 9.838 1.00 0.00 C ATOM 723 OH TYR B 49 -9.308 3.142 11.030 1.00 0.00 O ATOM 0 H TYR B 49 -13.478 2.342 6.757 1.00 0.00 H new ATOM 0 HA TYR B 49 -13.625 5.235 7.019 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -11.779 3.401 5.446 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -11.547 5.120 5.695 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -10.975 5.989 7.958 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -11.328 1.809 7.227 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -9.825 5.521 10.077 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -10.194 1.337 9.348 1.00 0.00 H new ATOM 0 HH TYR B 49 -9.500 3.863 11.666 1.00 0.00 H new ATOM 733 N GLU B 50 -14.641 5.929 4.940 1.00 0.00 N ATOM 734 CA GLU B 50 -15.407 6.370 3.788 1.00 0.00 C ATOM 735 C GLU B 50 -14.502 6.626 2.591 1.00 0.00 C ATOM 736 O GLU B 50 -13.305 6.321 2.620 1.00 0.00 O ATOM 737 CB GLU B 50 -16.178 7.644 4.133 1.00 0.00 C ATOM 738 CG GLU B 50 -17.072 7.494 5.347 1.00 0.00 C ATOM 739 CD GLU B 50 -17.852 8.751 5.659 1.00 0.00 C ATOM 740 OE1 GLU B 50 -17.240 9.760 6.064 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -19.091 8.738 5.501 1.00 0.00 O ATOM 0 H GLU B 50 -14.513 6.646 5.654 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.108 5.578 3.524 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -15.469 8.453 4.310 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -16.786 7.935 3.277 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -17.768 6.672 5.181 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -16.463 7.226 6.210 1.00 0.00 H new ATOM 748 N ASP B 51 -15.078 7.188 1.542 1.00 0.00 N ATOM 749 CA ASP B 51 -14.319 7.524 0.354 1.00 0.00 C ATOM 750 C ASP B 51 -13.308 8.610 0.682 1.00 0.00 C ATOM 751 O ASP B 51 -13.660 9.770 0.894 1.00 0.00 O ATOM 752 CB ASP B 51 -15.260 7.990 -0.757 1.00 0.00 C ATOM 753 CG ASP B 51 -14.532 8.345 -2.037 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.293 7.435 -2.855 1.00 0.00 O ATOM 755 OD2 ASP B 51 -14.204 9.535 -2.233 1.00 0.00 O1- ATOM 0 H ASP B 51 -16.070 7.421 1.491 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.786 6.639 0.007 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.986 7.204 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.820 8.859 -0.411 1.00 0.00 H new ATOM 760 N LYS B 52 -12.050 8.210 0.738 1.00 0.00 N ATOM 761 CA LYS B 52 -10.948 9.111 1.043 1.00 0.00 C ATOM 762 C LYS B 52 -9.733 8.675 0.250 1.00 0.00 C ATOM 763 O LYS B 52 -9.373 7.497 0.273 1.00 0.00 O ATOM 764 CB LYS B 52 -10.611 9.065 2.531 1.00 0.00 C ATOM 765 CG LYS B 52 -11.806 9.272 3.450 1.00 0.00 C ATOM 766 CD LYS B 52 -11.448 9.129 4.925 1.00 0.00 C ATOM 767 CE LYS B 52 -10.976 7.722 5.270 1.00 0.00 C ATOM 768 NZ LYS B 52 -9.499 7.582 5.154 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.761 7.246 0.573 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.237 10.129 0.780 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -10.155 8.102 2.759 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.865 9.830 2.746 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -12.224 10.263 3.277 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.582 8.550 3.197 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.666 9.845 5.178 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -12.317 9.378 5.534 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -11.284 7.476 6.286 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.461 7.005 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -9.162 6.879 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -9.254 7.270 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -9.047 8.499 5.346 1.00 0.00 H new ATOM 782 N ASN B 53 -9.120 9.600 -0.459 1.00 0.00 N ATOM 783 CA ASN B 53 -8.038 9.262 -1.365 1.00 0.00 C ATOM 784 C ASN B 53 -6.676 9.603 -0.790 1.00 0.00 C ATOM 785 O ASN B 53 -6.410 10.740 -0.392 1.00 0.00 O ATOM 786 CB ASN B 53 -8.218 9.961 -2.716 1.00 0.00 C ATOM 787 CG ASN B 53 -8.453 11.462 -2.601 1.00 0.00 C ATOM 788 OD1 ASN B 53 -9.022 11.954 -1.625 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.026 12.204 -3.604 1.00 0.00 N ATOM 0 H ASN B 53 -9.351 10.593 -0.427 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.079 8.182 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.332 9.786 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.060 9.509 -3.240 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -8.163 13.215 -3.585 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.558 11.767 -4.398 1.00 0.00 H new ATOM 796 N TRP B 54 -5.824 8.601 -0.747 1.00 0.00 N ATOM 797 CA TRP B 54 -4.429 8.792 -0.439 1.00 0.00 C ATOM 798 C TRP B 54 -3.610 7.863 -1.326 1.00 0.00 C ATOM 799 O TRP B 54 -4.163 6.944 -1.932 1.00 0.00 O ATOM 800 CB TRP B 54 -4.146 8.578 1.054 1.00 0.00 C ATOM 801 CG TRP B 54 -4.284 7.177 1.564 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.427 6.554 1.979 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.222 6.239 1.757 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.138 5.283 2.414 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.791 5.064 2.283 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.843 6.278 1.524 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.025 3.939 2.587 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.090 5.161 1.823 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.680 4.006 2.347 1.00 0.00 C ATOM 0 H TRP B 54 -6.083 7.631 -0.925 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.142 9.823 -0.646 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.132 8.919 1.262 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.820 9.217 1.624 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.413 6.996 1.967 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.815 4.612 2.776 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.377 7.164 1.118 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.477 3.048 2.997 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.024 5.179 1.649 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.061 3.149 2.567 1.00 0.00 H new ATOM 820 N GLY B 55 -2.317 8.112 -1.439 1.00 0.00 N ATOM 821 CA GLY B 55 -1.524 7.372 -2.396 1.00 0.00 C ATOM 822 C GLY B 55 -0.198 6.904 -1.840 1.00 0.00 C ATOM 823 O GLY B 55 0.319 7.470 -0.874 1.00 0.00 O ATOM 0 H GLY B 55 -1.806 8.805 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.093 6.507 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.343 7.999 -3.269 1.00 0.00 H new ATOM 827 N ILE B 56 0.344 5.860 -2.452 1.00 0.00 N ATOM 828 CA ILE B 56 1.663 5.366 -2.106 1.00 0.00 C ATOM 829 C ILE B 56 2.634 5.617 -3.253 1.00 0.00 C ATOM 830 O ILE B 56 2.288 5.429 -4.426 1.00 0.00 O ATOM 831 CB ILE B 56 1.624 3.863 -1.794 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.529 3.573 -0.771 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.975 3.392 -1.273 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.077 2.137 -0.765 1.00 0.00 C ATOM 0 H ILE B 56 -0.117 5.337 -3.197 1.00 0.00 H new ATOM 0 HA ILE B 56 1.999 5.900 -1.217 1.00 0.00 H new ATOM 0 HB ILE B 56 1.402 3.319 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.893 3.835 0.223 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.328 4.214 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.930 2.325 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.740 3.577 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.224 3.936 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.702 2.004 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.317 1.876 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.922 1.490 -0.529 1.00 0.00 H new ATOM 846 N PHE B 57 3.837 6.053 -2.914 1.00 0.00 N ATOM 847 CA PHE B 57 4.819 6.450 -3.912 1.00 0.00 C ATOM 848 C PHE B 57 6.123 5.681 -3.732 1.00 0.00 C ATOM 849 O PHE B 57 6.622 5.581 -2.619 1.00 0.00 O ATOM 850 CB PHE B 57 5.036 7.962 -3.797 1.00 0.00 C ATOM 851 CG PHE B 57 3.718 8.682 -3.815 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.130 9.013 -5.016 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.030 8.947 -2.642 1.00 0.00 C ATOM 854 CE1 PHE B 57 1.880 9.593 -5.060 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.786 9.542 -2.676 1.00 0.00 C ATOM 856 CZ PHE B 57 1.207 9.859 -3.887 1.00 0.00 C ATOM 0 H PHE B 57 4.158 6.141 -1.950 1.00 0.00 H new ATOM 0 HA PHE B 57 4.453 6.212 -4.911 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.570 8.190 -2.875 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.659 8.310 -4.621 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.657 8.815 -5.938 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.472 8.685 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.430 9.838 -6.011 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.266 9.759 -1.755 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.228 10.315 -3.916 1.00 0.00 H new ATOM 866 N VAL B 58 6.671 5.127 -4.821 1.00 0.00 N ATOM 867 CA VAL B 58 7.937 4.420 -4.729 1.00 0.00 C ATOM 868 C VAL B 58 9.017 5.189 -5.481 1.00 0.00 C ATOM 869 O VAL B 58 8.776 5.692 -6.574 1.00 0.00 O ATOM 870 CB VAL B 58 7.836 2.980 -5.277 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.546 2.979 -6.766 1.00 0.00 C ATOM 872 CG2 VAL B 58 9.105 2.202 -4.975 1.00 0.00 C ATOM 0 H VAL B 58 6.261 5.157 -5.755 1.00 0.00 H new ATOM 0 HA VAL B 58 8.201 4.352 -3.674 1.00 0.00 H new ATOM 0 HB VAL B 58 7.003 2.488 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.481 1.951 -7.123 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.601 3.489 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.348 3.496 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.014 1.190 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.956 2.698 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL B 58 9.257 2.159 -3.897 1.00 0.00 H new ATOM 882 N ASN B 59 10.200 5.300 -4.870 1.00 0.00 N ATOM 883 CA ASN B 59 11.343 6.033 -5.438 1.00 0.00 C ATOM 884 C ASN B 59 11.093 7.532 -5.412 1.00 0.00 C ATOM 885 O ASN B 59 11.992 8.323 -5.687 1.00 0.00 O ATOM 886 CB ASN B 59 11.638 5.635 -6.890 1.00 0.00 C ATOM 887 CG ASN B 59 11.624 4.149 -7.140 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.613 3.448 -6.931 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.493 3.674 -7.618 1.00 0.00 N ATOM 0 H ASN B 59 10.396 4.882 -3.961 1.00 0.00 H new ATOM 0 HA ASN B 59 12.199 5.771 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.903 6.108 -7.541 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.614 6.030 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.408 2.681 -7.833 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.702 4.299 -7.773 1.00 0.00 H new ATOM 896 N GLY B 60 9.880 7.916 -5.058 1.00 0.00 N ATOM 897 CA GLY B 60 9.471 9.280 -5.221 1.00 0.00 C ATOM 898 C GLY B 60 8.525 9.423 -6.397 1.00 0.00 C ATOM 899 O GLY B 60 8.132 10.525 -6.787 1.00 0.00 O ATOM 0 H GLY B 60 9.172 7.300 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY B 60 8.982 9.629 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.347 9.911 -5.374 1.00 0.00 H new ATOM 903 N GLU B 61 8.172 8.277 -6.950 1.00 0.00 N ATOM 904 CA GLU B 61 7.189 8.139 -8.001 1.00 0.00 C ATOM 905 C GLU B 61 5.964 7.544 -7.385 1.00 0.00 C ATOM 906 O GLU B 61 6.037 7.044 -6.299 1.00 0.00 O ATOM 907 CB GLU B 61 7.713 7.189 -9.067 1.00 0.00 C ATOM 908 CG GLU B 61 8.597 7.840 -10.114 1.00 0.00 C ATOM 909 CD GLU B 61 9.126 6.839 -11.119 1.00 0.00 C ATOM 910 OE1 GLU B 61 10.173 6.205 -10.845 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 8.499 6.671 -12.185 1.00 0.00 O ATOM 0 H GLU B 61 8.579 7.386 -6.667 1.00 0.00 H new ATOM 0 HA GLU B 61 6.975 9.105 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.275 6.392 -8.580 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.865 6.721 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.031 8.612 -10.636 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.434 8.336 -9.623 1.00 0.00 H new ATOM 918 N LYS B 62 4.861 7.585 -8.061 1.00 0.00 N ATOM 919 CA LYS B 62 3.657 6.964 -7.557 1.00 0.00 C ATOM 920 C LYS B 62 3.737 5.462 -7.795 1.00 0.00 C ATOM 921 O LYS B 62 4.714 4.988 -8.374 1.00 0.00 O ATOM 922 CB LYS B 62 2.469 7.612 -8.253 1.00 0.00 C ATOM 923 CG LYS B 62 1.140 7.418 -7.537 1.00 0.00 C ATOM 924 CD LYS B 62 0.010 8.195 -8.202 1.00 0.00 C ATOM 925 CE LYS B 62 0.337 9.672 -8.393 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.642 10.347 -9.286 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.759 8.041 -8.968 1.00 0.00 H new ATOM 0 HA LYS B 62 3.540 7.110 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.661 8.680 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.388 7.206 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.889 6.357 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.238 7.738 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.209 7.748 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.892 8.103 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.347 10.170 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.338 9.771 -8.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.384 11.349 -9.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.634 9.889 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.594 10.276 -8.874 1.00 0.00 H new ATOM 940 N VAL B 63 2.822 4.713 -7.194 1.00 0.00 N ATOM 941 CA VAL B 63 2.583 3.319 -7.577 1.00 0.00 C ATOM 942 C VAL B 63 1.184 2.879 -7.207 1.00 0.00 C ATOM 943 O VAL B 63 0.735 1.811 -7.625 1.00 0.00 O ATOM 944 CB VAL B 63 3.571 2.313 -6.951 1.00 0.00 C ATOM 945 CG1 VAL B 63 4.678 1.973 -7.932 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.135 2.831 -5.635 1.00 0.00 C ATOM 0 H VAL B 63 2.228 5.046 -6.435 1.00 0.00 H new ATOM 0 HA VAL B 63 2.727 3.309 -8.657 1.00 0.00 H new ATOM 0 HB VAL B 63 3.024 1.397 -6.727 1.00 0.00 H new ATOM 0 HG11 VAL B 63 5.365 1.262 -7.473 1.00 0.00 H new ATOM 0 HG12 VAL B 63 4.246 1.532 -8.830 1.00 0.00 H new ATOM 0 HG13 VAL B 63 5.219 2.881 -8.199 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.827 2.097 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL B 63 4.662 3.769 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL B 63 3.320 2.998 -4.931 1.00 0.00 H new ATOM 956 N TYR B 64 0.480 3.695 -6.439 1.00 0.00 N ATOM 957 CA TYR B 64 -0.778 3.244 -5.873 1.00 0.00 C ATOM 958 C TYR B 64 -1.669 4.416 -5.497 1.00 0.00 C ATOM 959 O TYR B 64 -1.263 5.320 -4.771 1.00 0.00 O ATOM 960 CB TYR B 64 -0.485 2.393 -4.638 1.00 0.00 C ATOM 961 CG TYR B 64 -1.514 1.329 -4.318 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.773 1.337 -4.898 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.214 0.308 -3.423 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.700 0.366 -4.595 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.142 -0.667 -3.113 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.383 -0.633 -3.703 1.00 0.00 C ATOM 967 OH TYR B 64 -4.316 -1.589 -3.391 1.00 0.00 O ATOM 0 H TYR B 64 0.750 4.649 -6.198 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.308 2.654 -6.621 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.482 1.909 -4.773 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.392 3.054 -3.777 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.030 2.117 -5.599 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.238 0.277 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.676 0.388 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.894 -1.450 -2.412 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.876 -2.343 -2.946 1.00 0.00 H new ATOM 977 N THR B 65 -2.876 4.378 -6.024 1.00 0.00 N ATOM 978 CA THR B 65 -3.900 5.372 -5.736 1.00 0.00 C ATOM 979 C THR B 65 -5.222 4.663 -5.455 1.00 0.00 C ATOM 980 O THR B 65 -5.618 3.768 -6.204 1.00 0.00 O ATOM 981 CB THR B 65 -4.083 6.345 -6.921 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.823 6.929 -7.275 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.075 7.447 -6.579 1.00 0.00 C ATOM 0 H THR B 65 -3.180 3.651 -6.671 1.00 0.00 H new ATOM 0 HA THR B 65 -3.586 5.948 -4.866 1.00 0.00 H new ATOM 0 HB THR B 65 -4.475 5.777 -7.765 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.947 7.544 -8.028 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.183 8.117 -7.432 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.042 7.005 -6.340 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.711 8.010 -5.720 1.00 0.00 H new ATOM 991 N PHE B 66 -5.897 5.044 -4.378 1.00 0.00 N ATOM 992 CA PHE B 66 -7.111 4.383 -3.971 1.00 0.00 C ATOM 993 C PHE B 66 -7.885 5.224 -2.982 1.00 0.00 C ATOM 994 O PHE B 66 -7.392 6.211 -2.433 1.00 0.00 O ATOM 995 CB PHE B 66 -6.810 3.017 -3.343 1.00 0.00 C ATOM 996 CG PHE B 66 -5.684 2.989 -2.351 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.356 4.074 -1.558 1.00 0.00 C ATOM 998 CD2 PHE B 66 -4.952 1.840 -2.227 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.313 3.997 -0.664 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -3.906 1.750 -1.336 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.585 2.832 -0.551 1.00 0.00 C ATOM 0 H PHE B 66 -5.614 5.814 -3.772 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.715 4.241 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.713 2.658 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.582 2.312 -4.143 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -5.923 4.989 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.200 0.986 -2.840 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -4.064 4.850 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.340 0.834 -1.254 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.766 2.770 0.151 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.109 4.818 -2.805 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.969 5.324 -1.766 1.00 0.00 C ATOM 1013 C ASN B 67 -10.311 4.182 -0.825 1.00 0.00 C ATOM 1014 O ASN B 67 -10.468 3.039 -1.257 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.242 5.904 -2.373 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.017 7.249 -3.028 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -10.641 7.332 -4.196 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.270 8.312 -2.284 1.00 0.00 N ATOM 0 H ASN B 67 -9.550 4.109 -3.391 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.461 6.117 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.638 5.207 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.997 6.006 -1.594 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -11.155 9.247 -2.675 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.580 8.197 -1.319 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.428 4.498 0.457 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.652 3.489 1.492 1.00 0.00 C ATOM 1027 C GLU B 68 -12.003 2.791 1.323 1.00 0.00 C ATOM 1028 O GLU B 68 -12.241 1.727 1.893 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.551 4.144 2.870 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.182 4.750 3.161 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.097 3.707 3.378 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.256 2.560 2.909 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -7.088 4.024 4.053 1.00 0.00 O ATOM 0 H GLU B 68 -10.371 5.453 0.811 1.00 0.00 H new ATOM 0 HA GLU B 68 -9.883 2.722 1.396 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.308 4.924 2.948 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -10.779 3.401 3.634 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -8.895 5.396 2.332 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -9.252 5.381 4.047 1.00 0.00 H new ATOM 1040 N LYS B 69 -12.873 3.393 0.522 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.178 2.827 0.222 1.00 0.00 C ATOM 1042 C LYS B 69 -14.100 1.997 -1.041 1.00 0.00 C ATOM 1043 O LYS B 69 -14.899 1.096 -1.259 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.194 3.929 -0.023 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.636 3.465 0.139 1.00 0.00 C ATOM 1046 CD LYS B 69 -16.950 3.124 1.589 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.321 2.481 1.734 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.371 1.132 1.110 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.692 4.286 0.064 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.480 2.216 1.073 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.004 4.750 0.669 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.057 4.323 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.312 4.246 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -16.811 2.591 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -16.188 2.447 1.976 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -16.908 4.030 2.193 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -18.574 2.401 2.791 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -19.073 3.122 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -19.274 0.673 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -18.289 1.224 0.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -17.585 0.554 1.469 1.00 0.00 H new ATOM 1062 N SER B 70 -13.136 2.334 -1.875 1.00 0.00 N ATOM 1063 CA SER B 70 -12.973 1.721 -3.166 1.00 0.00 C ATOM 1064 C SER B 70 -12.341 0.336 -3.024 1.00 0.00 C ATOM 1065 O SER B 70 -12.198 -0.413 -3.989 1.00 0.00 O ATOM 1066 CB SER B 70 -12.130 2.663 -4.004 1.00 0.00 C ATOM 1067 OG SER B 70 -12.741 3.938 -4.070 1.00 0.00 O ATOM 0 H SER B 70 -12.439 3.050 -1.667 1.00 0.00 H new ATOM 0 HA SER B 70 -13.933 1.562 -3.657 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.133 2.751 -3.573 1.00 0.00 H new ATOM 0 HB3 SER B 70 -12.008 2.258 -5.008 1.00 0.00 H new ATOM 0 HG SER B 70 -12.330 4.461 -4.790 1.00 0.00 H new ATOM 1073 N THR B 71 -11.969 0.034 -1.781 1.00 0.00 N ATOM 1074 CA THR B 71 -11.543 -1.271 -1.337 1.00 0.00 C ATOM 1075 C THR B 71 -10.228 -1.685 -1.983 1.00 0.00 C ATOM 1076 O THR B 71 -10.169 -2.145 -3.123 1.00 0.00 O ATOM 1077 CB THR B 71 -12.638 -2.344 -1.527 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.659 -2.851 -2.864 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.012 -1.785 -1.193 1.00 0.00 C ATOM 0 H THR B 71 -11.960 0.728 -1.033 1.00 0.00 H new ATOM 0 HA THR B 71 -11.367 -1.193 -0.264 1.00 0.00 H new ATOM 0 HB THR B 71 -12.397 -3.159 -0.845 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.352 -2.156 -3.482 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.765 -2.561 -1.335 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.027 -1.451 -0.156 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.231 -0.942 -1.849 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.161 -1.515 -1.223 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.825 -1.795 -1.710 1.00 0.00 C ATOM 1089 C VAL B 72 -7.636 -3.281 -1.997 1.00 0.00 C ATOM 1090 O VAL B 72 -6.670 -3.667 -2.640 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.762 -1.327 -0.700 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.020 0.115 -0.295 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.742 -2.236 0.516 1.00 0.00 C ATOM 0 H VAL B 72 -9.196 -1.182 -0.260 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.701 -1.242 -2.641 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.783 -1.380 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.261 0.434 0.420 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.979 0.754 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.006 0.193 0.164 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -5.984 -1.888 1.218 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.719 -2.219 0.999 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.509 -3.254 0.205 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.565 -4.108 -1.526 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.489 -5.535 -1.772 1.00 0.00 C ATOM 1105 C GLY B 73 -8.400 -5.855 -3.252 1.00 0.00 C ATOM 1106 O GLY B 73 -7.494 -6.570 -3.688 1.00 0.00 O ATOM 0 H GLY B 73 -9.372 -3.812 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.618 -5.945 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.367 -6.023 -1.348 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.325 -5.304 -4.028 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.333 -5.511 -5.470 1.00 0.00 C ATOM 1112 C ASN B 74 -8.136 -4.830 -6.105 1.00 0.00 C ATOM 1113 O ASN B 74 -7.471 -5.388 -6.977 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.611 -4.950 -6.100 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.862 -5.624 -5.619 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.873 -6.813 -5.300 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.926 -4.853 -5.553 1.00 0.00 N ATOM 0 H ASN B 74 -10.079 -4.710 -3.683 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.288 -6.585 -5.649 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.676 -3.884 -5.883 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.547 -5.051 -7.183 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.813 -5.235 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.864 -3.873 -5.829 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.859 -3.618 -5.648 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.805 -2.811 -6.246 1.00 0.00 C ATOM 1126 C ILE B 75 -5.431 -3.446 -6.046 1.00 0.00 C ATOM 1127 O ILE B 75 -4.610 -3.481 -6.963 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.790 -1.391 -5.664 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.218 -0.934 -5.360 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.120 -0.449 -6.649 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.320 0.495 -4.899 1.00 0.00 C ATOM 0 H ILE B 75 -8.346 -3.173 -4.870 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.020 -2.759 -7.313 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.225 -1.384 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.827 -1.060 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.640 -1.583 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.109 0.560 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.097 -0.779 -6.830 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.673 -0.451 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.364 0.741 -4.705 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.740 0.625 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.930 1.156 -5.673 1.00 0.00 H new ATOM 1143 N SER B 76 -5.203 -3.961 -4.845 1.00 0.00 N ATOM 1144 CA SER B 76 -3.923 -4.584 -4.492 1.00 0.00 C ATOM 1145 C SER B 76 -3.609 -5.756 -5.410 1.00 0.00 C ATOM 1146 O SER B 76 -2.443 -6.062 -5.662 1.00 0.00 O ATOM 1147 CB SER B 76 -3.925 -5.059 -3.037 1.00 0.00 C ATOM 1148 OG SER B 76 -4.132 -3.980 -2.143 1.00 0.00 O ATOM 0 H SER B 76 -5.890 -3.962 -4.091 1.00 0.00 H new ATOM 0 HA SER B 76 -3.150 -3.825 -4.615 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.707 -5.805 -2.897 1.00 0.00 H new ATOM 0 HB3 SER B 76 -2.976 -5.545 -2.810 1.00 0.00 H new ATOM 0 HG SER B 76 -5.092 -3.803 -2.061 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.654 -6.416 -5.892 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.505 -7.478 -6.883 1.00 0.00 C ATOM 1156 C ASN B 77 -3.687 -6.965 -8.051 1.00 0.00 C ATOM 1157 O ASN B 77 -2.660 -7.537 -8.421 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.880 -7.900 -7.388 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.853 -9.166 -8.236 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.881 -9.449 -8.936 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.928 -9.936 -8.180 1.00 0.00 N ATOM 0 H ASN B 77 -5.618 -6.235 -5.613 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.003 -8.331 -6.425 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.539 -8.058 -6.534 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.308 -7.088 -7.975 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.969 -10.795 -8.728 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.715 -9.670 -7.589 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.153 -5.864 -8.604 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.479 -5.221 -9.730 1.00 0.00 C ATOM 1170 C ASP B 78 -2.090 -4.723 -9.344 1.00 0.00 C ATOM 1171 O ASP B 78 -1.147 -4.836 -10.125 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.318 -4.066 -10.277 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.386 -4.544 -11.233 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.078 -4.698 -12.432 1.00 0.00 O1- ATOM 1175 OD2 ASP B 78 -6.528 -4.787 -10.792 1.00 0.00 O ATOM 0 H ASP B 78 -5.000 -5.388 -8.295 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.363 -5.973 -10.510 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.785 -3.534 -9.449 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.667 -3.355 -10.786 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.978 -4.181 -8.137 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.715 -3.671 -7.607 1.00 0.00 C ATOM 1182 C ILE B 79 0.364 -4.750 -7.557 1.00 0.00 C ATOM 1183 O ILE B 79 1.551 -4.472 -7.755 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.936 -3.091 -6.219 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.941 -1.967 -6.353 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.365 -2.592 -5.602 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.494 -0.827 -7.248 1.00 0.00 C ATOM 0 H ILE B 79 -2.763 -4.082 -7.494 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.364 -2.890 -8.282 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.312 -3.864 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -2.873 -2.375 -6.744 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.158 -1.570 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.165 -2.185 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.069 -3.420 -5.519 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.793 -1.814 -6.234 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.274 -0.067 -7.286 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.580 -0.388 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.306 -1.205 -8.253 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.064 -5.978 -7.304 1.00 0.00 N ATOM 1200 CA ASN B 80 0.840 -7.129 -7.268 1.00 0.00 C ATOM 1201 C ASN B 80 1.643 -7.252 -8.560 1.00 0.00 C ATOM 1202 O ASN B 80 2.819 -7.615 -8.539 1.00 0.00 O ATOM 1203 CB ASN B 80 0.053 -8.424 -7.038 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.045 -8.815 -5.577 1.00 0.00 C ATOM 1205 OD1 ASN B 80 0.758 -9.604 -5.079 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.023 -8.266 -4.874 1.00 0.00 N ATOM 0 H ASN B 80 -1.040 -6.209 -7.118 1.00 0.00 H new ATOM 0 HA ASN B 80 1.533 -6.969 -6.442 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.952 -8.307 -7.444 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.528 -9.233 -7.592 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -1.130 -8.493 -3.885 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -1.670 -7.616 -5.321 1.00 0.00 H new ATOM 1213 N LYS B 81 1.016 -6.918 -9.682 1.00 0.00 N ATOM 1214 CA LYS B 81 1.645 -7.105 -10.983 1.00 0.00 C ATOM 1215 C LYS B 81 2.660 -5.996 -11.269 1.00 0.00 C ATOM 1216 O LYS B 81 3.506 -6.130 -12.149 1.00 0.00 O ATOM 1217 CB LYS B 81 0.586 -7.155 -12.095 1.00 0.00 C ATOM 1218 CG LYS B 81 0.339 -5.826 -12.789 1.00 0.00 C ATOM 1219 CD LYS B 81 -0.579 -5.985 -13.992 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.040 -6.029 -13.583 1.00 0.00 C ATOM 1221 NZ LYS B 81 -2.502 -4.716 -13.061 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.078 -6.519 -9.717 1.00 0.00 H new ATOM 0 HA LYS B 81 2.176 -8.057 -10.962 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.894 -7.888 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.353 -7.509 -11.670 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.103 -5.123 -12.083 1.00 0.00 H new ATOM 0 HG3 LYS B 81 1.290 -5.400 -13.110 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -0.420 -5.157 -14.683 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -0.323 -6.900 -14.526 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -2.650 -6.315 -14.440 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.182 -6.795 -12.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -3.535 -4.648 -13.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -2.241 -4.630 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -2.053 -3.950 -13.602 1.00 0.00 H new ATOM 1235 N LEU B 82 2.606 -4.926 -10.481 1.00 0.00 N ATOM 1236 CA LEU B 82 3.422 -3.740 -10.730 1.00 0.00 C ATOM 1237 C LEU B 82 4.890 -4.060 -10.559 1.00 0.00 C ATOM 1238 O LEU B 82 5.749 -3.380 -11.121 1.00 0.00 O ATOM 1239 CB LEU B 82 3.041 -2.620 -9.759 1.00 0.00 C ATOM 1240 CG LEU B 82 1.993 -1.621 -10.252 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.571 -0.732 -11.342 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.750 -2.334 -10.758 1.00 0.00 C ATOM 0 H LEU B 82 2.003 -4.855 -9.661 1.00 0.00 H new ATOM 0 HA LEU B 82 3.240 -3.415 -11.754 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.673 -3.075 -8.839 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.945 -2.068 -9.502 1.00 0.00 H new ATOM 0 HG LEU B 82 1.706 -0.996 -9.407 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.810 -0.028 -11.679 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.425 -0.181 -10.948 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.893 -1.348 -12.181 1.00 0.00 H new ATOM 0 HD21 LEU B 82 0.023 -1.598 -11.102 1.00 0.00 H new ATOM 0 HD22 LEU B 82 1.019 -2.992 -11.584 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.315 -2.924 -9.951 1.00 0.00 H new ATOM 1254 N ASN B 83 5.158 -5.115 -9.801 1.00 0.00 N ATOM 1255 CA ASN B 83 6.515 -5.465 -9.406 1.00 0.00 C ATOM 1256 C ASN B 83 7.256 -4.216 -8.920 1.00 0.00 C ATOM 1257 O ASN B 83 8.287 -3.819 -9.470 1.00 0.00 O ATOM 1258 CB ASN B 83 7.257 -6.135 -10.568 1.00 0.00 C ATOM 1259 CG ASN B 83 8.639 -6.629 -10.182 1.00 0.00 C ATOM 1260 OD1 ASN B 83 8.892 -6.976 -9.028 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.541 -6.671 -11.150 1.00 0.00 N ATOM 0 H ASN B 83 4.444 -5.750 -9.444 1.00 0.00 H new ATOM 0 HA ASN B 83 6.474 -6.180 -8.584 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.666 -6.975 -10.934 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.347 -5.426 -11.391 1.00 0.00 H new ATOM 0 HD21 ASN B 83 10.486 -7.000 -10.953 1.00 0.00 H new ATOM 0 HD22 ASN B 83 9.291 -6.374 -12.093 1.00 0.00 H new ATOM 1268 N ILE B 84 6.678 -3.581 -7.906 1.00 0.00 N ATOM 1269 CA ILE B 84 7.187 -2.333 -7.363 1.00 0.00 C ATOM 1270 C ILE B 84 8.616 -2.470 -6.844 1.00 0.00 C ATOM 1271 O ILE B 84 8.994 -3.495 -6.273 1.00 0.00 O ATOM 1272 CB ILE B 84 6.257 -1.858 -6.237 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.881 -1.588 -6.823 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.797 -0.616 -5.543 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.801 -1.432 -5.784 1.00 0.00 C ATOM 0 H ILE B 84 5.839 -3.922 -7.437 1.00 0.00 H new ATOM 0 HA ILE B 84 7.210 -1.598 -8.167 1.00 0.00 H new ATOM 0 HB ILE B 84 6.194 -2.640 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.925 -0.682 -7.428 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.614 -2.406 -7.492 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.110 -0.313 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.773 -0.836 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.896 0.192 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.847 -1.242 -6.276 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.729 -2.346 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.044 -0.596 -5.129 1.00 0.00 H new ATOM 1287 N LYS B 85 9.398 -1.426 -7.069 1.00 0.00 N ATOM 1288 CA LYS B 85 10.793 -1.378 -6.642 1.00 0.00 C ATOM 1289 C LYS B 85 10.891 -0.849 -5.213 1.00 0.00 C ATOM 1290 O LYS B 85 9.894 -0.814 -4.493 1.00 0.00 O ATOM 1291 CB LYS B 85 11.582 -0.482 -7.598 1.00 0.00 C ATOM 1292 CG LYS B 85 11.505 -0.944 -9.043 1.00 0.00 C ATOM 1293 CD LYS B 85 12.230 0.004 -9.981 1.00 0.00 C ATOM 1294 CE LYS B 85 12.096 -0.449 -11.425 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.769 0.479 -12.371 1.00 0.00 N1+ ATOM 0 H LYS B 85 9.085 -0.585 -7.554 1.00 0.00 H new ATOM 0 HA LYS B 85 11.213 -2.384 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS B 85 11.203 0.538 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.626 -0.457 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.938 -1.941 -9.129 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.460 -1.023 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.824 1.010 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS B 85 13.284 0.055 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS B 85 12.523 -1.446 -11.532 1.00 0.00 H new ATOM 0 HE3 LYS B 85 11.040 -0.525 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.651 0.129 -13.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 12.345 1.425 -12.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 13.782 0.533 -12.143 1.00 0.00 H new ATOM 1309 N GLY B 86 12.083 -0.443 -4.796 1.00 0.00 N ATOM 1310 CA GLY B 86 12.245 0.066 -3.451 1.00 0.00 C ATOM 1311 C GLY B 86 13.351 1.095 -3.328 1.00 0.00 C ATOM 1312 O GLY B 86 14.520 0.784 -3.549 1.00 0.00 O ATOM 0 H GLY B 86 12.933 -0.457 -5.360 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.306 0.511 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.455 -0.765 -2.778 1.00 0.00 H new ATOM 1316 N MET B 87 12.981 2.330 -2.995 1.00 0.00 N ATOM 1317 CA MET B 87 13.938 3.359 -2.698 1.00 0.00 C ATOM 1318 C MET B 87 13.326 4.412 -1.768 1.00 0.00 C ATOM 1319 O MET B 87 13.622 4.429 -0.577 1.00 0.00 O ATOM 1320 CB MET B 87 14.458 4.008 -3.975 1.00 0.00 C ATOM 1321 CG MET B 87 15.111 5.331 -3.687 1.00 0.00 C ATOM 1322 SD MET B 87 16.162 5.937 -5.027 1.00 0.00 S ATOM 1323 CE MET B 87 14.981 6.149 -6.355 1.00 0.00 C ATOM 0 H MET B 87 12.009 2.631 -2.927 1.00 0.00 H new ATOM 0 HA MET B 87 14.783 2.897 -2.187 1.00 0.00 H new ATOM 0 HB2 MET B 87 15.175 3.343 -4.458 1.00 0.00 H new ATOM 0 HB3 MET B 87 13.634 4.151 -4.675 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.337 6.070 -3.483 1.00 0.00 H new ATOM 0 HG3 MET B 87 15.711 5.240 -2.781 1.00 0.00 H new ATOM 0 HE1 MET B 87 15.484 6.569 -7.226 1.00 0.00 H new ATOM 0 HE2 MET B 87 14.549 5.183 -6.616 1.00 0.00 H new ATOM 0 HE3 MET B 87 14.189 6.825 -6.033 1.00 0.00 H new ATOM 1333 N TYR B 88 12.460 5.279 -2.302 1.00 0.00 N ATOM 1334 CA TYR B 88 11.870 6.341 -1.505 1.00 0.00 C ATOM 1335 C TYR B 88 10.357 6.218 -1.518 1.00 0.00 C ATOM 1336 O TYR B 88 9.688 6.693 -2.432 1.00 0.00 O ATOM 1337 CB TYR B 88 12.297 7.713 -2.030 1.00 0.00 C ATOM 1338 CG TYR B 88 11.943 8.848 -1.097 1.00 0.00 C ATOM 1339 CD1 TYR B 88 12.822 9.250 -0.101 1.00 0.00 C ATOM 1340 CD2 TYR B 88 10.726 9.507 -1.205 1.00 0.00 C ATOM 1341 CE1 TYR B 88 12.499 10.279 0.761 1.00 0.00 C ATOM 1342 CE2 TYR B 88 10.397 10.537 -0.349 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.286 10.919 0.633 1.00 0.00 C ATOM 1344 OH TYR B 88 10.956 11.942 1.493 1.00 0.00 O ATOM 0 H TYR B 88 12.158 5.261 -3.276 1.00 0.00 H new ATOM 0 HA TYR B 88 12.225 6.244 -0.479 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.374 7.711 -2.196 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.826 7.887 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR B 88 13.774 8.750 0.001 1.00 0.00 H new ATOM 0 HD2 TYR B 88 10.026 9.208 -1.971 1.00 0.00 H new ATOM 0 HE1 TYR B 88 13.193 10.580 1.531 1.00 0.00 H new ATOM 0 HE2 TYR B 88 9.447 11.042 -0.447 1.00 0.00 H new ATOM 0 HH TYR B 88 10.067 12.286 1.266 1.00 0.00 H new ATOM 1354 N ILE B 89 9.835 5.538 -0.524 1.00 0.00 N ATOM 1355 CA ILE B 89 8.412 5.282 -0.434 1.00 0.00 C ATOM 1356 C ILE B 89 7.706 6.311 0.442 1.00 0.00 C ATOM 1357 O ILE B 89 8.122 6.584 1.571 1.00 0.00 O ATOM 1358 CB ILE B 89 8.138 3.846 0.077 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.457 2.829 -1.024 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.692 3.689 0.536 1.00 0.00 C ATOM 1361 CD1 ILE B 89 9.918 2.733 -1.394 1.00 0.00 C ATOM 0 H ILE B 89 10.381 5.147 0.244 1.00 0.00 H new ATOM 0 HA ILE B 89 8.003 5.372 -1.440 1.00 0.00 H new ATOM 0 HB ILE B 89 8.784 3.662 0.935 1.00 0.00 H new ATOM 0 HG12 ILE B 89 8.113 1.846 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.887 3.090 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.531 2.670 0.889 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.489 4.390 1.346 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.021 3.894 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE B 89 10.046 1.989 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE B 89 10.267 3.702 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE B 89 10.497 2.439 -0.518 1.00 0.00 H new ATOM 1373 N GLU B 90 6.643 6.884 -0.102 1.00 0.00 N ATOM 1374 CA GLU B 90 5.855 7.881 0.602 1.00 0.00 C ATOM 1375 C GLU B 90 4.453 7.371 0.894 1.00 0.00 C ATOM 1376 O GLU B 90 3.860 6.651 0.089 1.00 0.00 O ATOM 1377 CB GLU B 90 5.743 9.158 -0.218 1.00 0.00 C ATOM 1378 CG GLU B 90 7.031 9.952 -0.322 1.00 0.00 C ATOM 1379 CD GLU B 90 6.849 11.231 -1.108 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.436 12.246 -0.510 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.102 11.230 -2.328 1.00 0.00 O ATOM 0 H GLU B 90 6.304 6.671 -1.040 1.00 0.00 H new ATOM 0 HA GLU B 90 6.367 8.087 1.542 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.407 8.902 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.974 9.792 0.223 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.391 10.190 0.679 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.796 9.340 -0.799 1.00 0.00 H new ATOM 1388 N ILE B 91 3.936 7.769 2.046 1.00 0.00 N ATOM 1389 CA ILE B 91 2.570 7.459 2.446 1.00 0.00 C ATOM 1390 C ILE B 91 1.854 8.753 2.808 1.00 0.00 C ATOM 1391 O ILE B 91 2.199 9.397 3.803 1.00 0.00 O ATOM 1392 CB ILE B 91 2.542 6.523 3.672 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.274 5.212 3.375 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.115 6.252 4.127 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.702 4.442 2.205 1.00 0.00 C ATOM 0 H ILE B 91 4.453 8.318 2.733 1.00 0.00 H new ATOM 0 HA ILE B 91 2.076 6.958 1.613 1.00 0.00 H new ATOM 0 HB ILE B 91 3.062 7.028 4.486 1.00 0.00 H new ATOM 0 HG12 ILE B 91 4.323 5.430 3.176 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.243 4.581 4.263 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.129 5.589 4.992 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.635 7.192 4.397 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.558 5.780 3.317 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.274 3.526 2.058 1.00 0.00 H new ATOM 0 HD12 ILE B 91 1.661 4.191 2.409 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.758 5.054 1.305 1.00 0.00 H new ATOM 1407 N LYS B 92 0.871 9.138 2.009 1.00 0.00 N ATOM 1408 CA LYS B 92 0.213 10.429 2.198 1.00 0.00 C ATOM 1409 C LYS B 92 -1.083 10.542 1.406 1.00 0.00 C ATOM 1410 O LYS B 92 -1.295 9.841 0.418 1.00 0.00 O ATOM 1411 CB LYS B 92 1.156 11.552 1.771 1.00 0.00 C ATOM 1412 CG LYS B 92 1.624 11.417 0.336 1.00 0.00 C ATOM 1413 CD LYS B 92 2.797 12.336 0.045 1.00 0.00 C ATOM 1414 CE LYS B 92 3.136 12.352 -1.435 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.292 13.232 -1.729 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.512 8.585 1.231 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.034 10.513 3.256 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.651 12.510 1.894 1.00 0.00 H new ATOM 0 HB3 LYS B 92 2.023 11.562 2.431 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.913 10.384 0.142 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.801 11.650 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.560 13.347 0.376 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.667 12.010 0.615 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.358 11.338 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.269 12.690 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 4.555 13.137 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.035 14.220 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.098 12.957 -1.132 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.927 11.453 1.862 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.177 11.785 1.208 1.00 0.00 C ATOM 1431 C GLN B 93 -2.912 12.710 0.031 1.00 0.00 C ATOM 1432 O GLN B 93 -2.000 13.535 0.070 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.150 12.448 2.201 1.00 0.00 C ATOM 1434 CG GLN B 93 -3.629 13.742 2.827 1.00 0.00 C ATOM 1435 CD GLN B 93 -2.454 13.531 3.752 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.340 12.502 4.423 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -1.551 14.488 3.764 1.00 0.00 N ATOM 0 H GLN B 93 -1.757 11.991 2.712 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.636 10.866 0.843 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.087 12.659 1.686 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.377 11.739 2.997 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -3.338 14.429 2.033 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.437 14.220 3.381 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -1.685 15.323 3.193 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -0.717 14.395 4.344 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.704 12.558 -1.007 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.516 13.303 -2.236 1.00 0.00 C ATOM 1448 C ILE B 94 -4.652 14.293 -2.461 1.00 0.00 C ATOM 1449 O ILE B 94 -4.657 15.350 -1.792 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.416 12.329 -3.422 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.440 11.205 -3.245 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.009 11.763 -3.512 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.503 10.237 -4.406 1.00 0.00 C ATOM 1454 OXT ILE B 94 -5.533 14.023 -3.299 1.00 0.00 O ATOM 0 H ILE B 94 -4.496 11.916 -1.025 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.590 13.872 -2.155 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.631 12.860 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.202 10.651 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.426 11.646 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -1.947 11.074 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.298 12.577 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.771 11.231 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.252 9.472 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.773 10.776 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.530 9.765 -4.539 1.00 0.00 H new