USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=25 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 180:sc= 0.278 USER MOD Set 1.2: B 76 SER OG : rot 83:sc= 1.78 USER MOD Set 2.1: B 62 LYS NZ :NH3+ 165:sc= 0.251 (180deg=-0.173) USER MOD Set 2.2: B 65 THR OG1 : rot -100:sc= -1.39! USER MOD Set 3.1: B 53 ASN : amide:sc= -0.124! K(o=-0.41!,f=-7.3) USER MOD Set 3.2: B 67 ASN : amide:sc= -0.289! C(o=-0.41!,f=-7.1!) USER MOD Set 4.1: B 42 ASN : amide:sc= 0.603 X(o=1.1,f=1.4) USER MOD Set 4.2: B 74 ASN : amide:sc= 0.547 X(o=1.1,f=1.4) USER MOD Set 5.1: B 32 ASN : amide:sc= 0.145 K(o=-0.56,f=-0.017) USER MOD Set 5.2: B 35 GLN : amide:sc= -0.708 K(o=-0.56,f=-0.017) USER MOD Set 6.1: B 30 SER OG : rot -132:sc= -1.68! USER MOD Set 6.2: B 37 LYS NZ :NH3+ -113:sc= 0.691 (180deg=-2.25!) USER MOD Set 7.1: B 24 LYS NZ :NH3+ 167:sc= 1.58 (180deg=0.679) USER MOD Set 7.2: B 49 TYR OH : rot -15:sc= -0.295 USER MOD Single : B 10 MET CE :methyl -160:sc= -2.31 (180deg=-3.17!) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : B 12 SER OG : rot -22:sc= 0.353 USER MOD Single : B 14 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : B 15 SER OG : rot -150:sc= -0.849 USER MOD Single : B 17 ASN : amide:sc= -3.05! K(o=-3!,f=-0.099) USER MOD Single : B 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00461) USER MOD Single : B 21 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.67) USER MOD Single : B 22 LYS NZ :NH3+ 164:sc= -0.0744 (180deg=-0.371) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl -158:sc= -0.155 (180deg=-0.706) USER MOD Single : B 34 ASN : amide:sc= -1.97 K(o=-2,f=-5.2!) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot -130:sc= -0.406 USER MOD Single : B 41 SER OG : rot 140:sc= -0.184 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0.00363 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= -4.51! C(o=-4.5!,f=-5.2!) USER MOD Single : B 69 LYS NZ :NH3+ -174:sc=-0.000502 (180deg=-0.0573) USER MOD Single : B 70 SER OG : rot 180:sc= -1.26 USER MOD Single : B 71 THR OG1 : rot 37:sc= 1.11 USER MOD Single : B 77 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : B 80 ASN : amide:sc= -0.423! C(o=-0.42!,f=-8.9!) USER MOD Single : B 81 LYS NZ :NH3+ 165:sc= -0.157 (180deg=-0.242) USER MOD Single : B 83 ASN : amide:sc= 0 X(o=0,f=0.0058) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 12.727 0.584 4.595 1.00 0.00 N ATOM 145 CA MET B 10 12.485 1.772 5.401 1.00 0.00 C ATOM 146 C MET B 10 11.321 1.524 6.359 1.00 0.00 C ATOM 147 O MET B 10 10.676 0.479 6.289 1.00 0.00 O ATOM 148 CB MET B 10 12.202 3.002 4.520 1.00 0.00 C ATOM 149 CG MET B 10 12.426 2.780 3.028 1.00 0.00 C ATOM 150 SD MET B 10 10.901 2.924 2.074 1.00 0.00 S ATOM 151 CE MET B 10 9.870 1.713 2.895 1.00 0.00 C ATOM 0 HA MET B 10 13.386 1.979 5.978 1.00 0.00 H new ATOM 0 HB2 MET B 10 11.170 3.315 4.676 1.00 0.00 H new ATOM 0 HB3 MET B 10 12.837 3.823 4.851 1.00 0.00 H new ATOM 0 HG2 MET B 10 13.151 3.506 2.660 1.00 0.00 H new ATOM 0 HG3 MET B 10 12.857 1.791 2.871 1.00 0.00 H new ATOM 0 HE1 MET B 10 9.052 1.424 2.235 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.466 0.834 3.140 1.00 0.00 H new ATOM 0 HE3 MET B 10 9.463 2.142 3.810 1.00 0.00 H new ATOM 161 N ASN B 11 11.052 2.465 7.244 1.00 0.00 N ATOM 162 CA ASN B 11 10.002 2.310 8.238 1.00 0.00 C ATOM 163 C ASN B 11 8.629 2.112 7.589 1.00 0.00 C ATOM 164 O ASN B 11 7.793 1.348 8.088 1.00 0.00 O ATOM 165 CB ASN B 11 9.964 3.531 9.163 1.00 0.00 C ATOM 166 CG ASN B 11 8.990 3.363 10.314 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.811 3.700 10.207 1.00 0.00 O ATOM 168 ND2 ASN B 11 9.481 2.849 11.431 1.00 0.00 N ATOM 0 H ASN B 11 11.550 3.353 7.296 1.00 0.00 H new ATOM 0 HA ASN B 11 10.232 1.417 8.819 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.963 3.712 9.561 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.687 4.412 8.584 1.00 0.00 H new ATOM 0 HD21 ASN B 11 8.876 2.720 12.242 1.00 0.00 H new ATOM 0 HD22 ASN B 11 10.464 2.582 11.480 1.00 0.00 H new ATOM 175 N SER B 12 8.432 2.751 6.439 1.00 0.00 N ATOM 176 CA SER B 12 7.121 2.844 5.814 1.00 0.00 C ATOM 177 C SER B 12 6.628 1.488 5.312 1.00 0.00 C ATOM 178 O SER B 12 5.475 1.364 4.900 1.00 0.00 O ATOM 179 CB SER B 12 7.162 3.853 4.661 1.00 0.00 C ATOM 180 OG SER B 12 5.864 4.091 4.141 1.00 0.00 O ATOM 0 H SER B 12 9.175 3.216 5.918 1.00 0.00 H new ATOM 0 HA SER B 12 6.417 3.185 6.573 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.594 4.791 5.010 1.00 0.00 H new ATOM 0 HB3 SER B 12 7.811 3.478 3.869 1.00 0.00 H new ATOM 0 HG SER B 12 5.279 3.337 4.364 1.00 0.00 H new ATOM 186 N ILE B 13 7.496 0.479 5.347 1.00 0.00 N ATOM 187 CA ILE B 13 7.111 -0.867 4.944 1.00 0.00 C ATOM 188 C ILE B 13 5.899 -1.327 5.744 1.00 0.00 C ATOM 189 O ILE B 13 4.856 -1.688 5.197 1.00 0.00 O ATOM 190 CB ILE B 13 8.252 -1.877 5.188 1.00 0.00 C ATOM 191 CG1 ILE B 13 9.516 -1.472 4.431 1.00 0.00 C ATOM 192 CG2 ILE B 13 7.819 -3.282 4.788 1.00 0.00 C ATOM 193 CD1 ILE B 13 9.493 -1.807 2.953 1.00 0.00 C ATOM 0 H ILE B 13 8.466 0.570 5.649 1.00 0.00 H new ATOM 0 HA ILE B 13 6.880 -0.831 3.879 1.00 0.00 H new ATOM 0 HB ILE B 13 8.480 -1.874 6.254 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.666 -0.398 4.546 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.373 -1.964 4.890 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.637 -3.980 4.967 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.953 -3.578 5.380 1.00 0.00 H new ATOM 0 HG23 ILE B 13 7.557 -3.295 3.730 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.427 -1.486 2.493 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.377 -2.883 2.826 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.658 -1.293 2.476 1.00 0.00 H new ATOM 205 N ASN B 14 6.053 -1.269 7.056 1.00 0.00 N ATOM 206 CA ASN B 14 5.047 -1.754 7.982 1.00 0.00 C ATOM 207 C ASN B 14 3.911 -0.756 8.097 1.00 0.00 C ATOM 208 O ASN B 14 2.776 -1.127 8.390 1.00 0.00 O ATOM 209 CB ASN B 14 5.677 -1.980 9.350 1.00 0.00 C ATOM 210 CG ASN B 14 6.905 -2.870 9.273 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.813 -4.092 9.378 1.00 0.00 O ATOM 212 ND2 ASN B 14 8.067 -2.256 9.099 1.00 0.00 N ATOM 0 H ASN B 14 6.882 -0.883 7.509 1.00 0.00 H new ATOM 0 HA ASN B 14 4.647 -2.696 7.607 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.953 -1.019 9.785 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.943 -2.433 10.016 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.928 -2.800 9.048 1.00 0.00 H new ATOM 0 HD22 ASN B 14 8.100 -1.240 9.016 1.00 0.00 H new ATOM 219 N SER B 15 4.229 0.514 7.869 1.00 0.00 N ATOM 220 CA SER B 15 3.232 1.566 7.882 1.00 0.00 C ATOM 221 C SER B 15 2.140 1.265 6.865 1.00 0.00 C ATOM 222 O SER B 15 0.957 1.329 7.179 1.00 0.00 O ATOM 223 CB SER B 15 3.889 2.910 7.571 1.00 0.00 C ATOM 224 OG SER B 15 5.049 3.103 8.363 1.00 0.00 O ATOM 0 H SER B 15 5.177 0.836 7.672 1.00 0.00 H new ATOM 0 HA SER B 15 2.781 1.615 8.873 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.154 2.954 6.515 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.180 3.717 7.755 1.00 0.00 H new ATOM 0 HG SER B 15 5.178 4.061 8.526 1.00 0.00 H new ATOM 230 N VAL B 16 2.550 0.895 5.655 1.00 0.00 N ATOM 231 CA VAL B 16 1.601 0.565 4.596 1.00 0.00 C ATOM 232 C VAL B 16 0.834 -0.700 4.960 1.00 0.00 C ATOM 233 O VAL B 16 -0.387 -0.772 4.802 1.00 0.00 O ATOM 234 CB VAL B 16 2.303 0.355 3.236 1.00 0.00 C ATOM 235 CG1 VAL B 16 1.293 -0.005 2.158 1.00 0.00 C ATOM 236 CG2 VAL B 16 3.091 1.588 2.829 1.00 0.00 C ATOM 0 H VAL B 16 3.530 0.816 5.384 1.00 0.00 H new ATOM 0 HA VAL B 16 0.917 1.408 4.500 1.00 0.00 H new ATOM 0 HB VAL B 16 3.002 -0.474 3.349 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.809 -0.148 1.209 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.779 -0.926 2.434 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.566 0.801 2.057 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.574 1.410 1.868 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.416 2.440 2.744 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.849 1.800 3.583 1.00 0.00 H new ATOM 246 N ASN B 17 1.574 -1.684 5.461 1.00 0.00 N ATOM 247 CA ASN B 17 1.002 -2.951 5.903 1.00 0.00 C ATOM 248 C ASN B 17 -0.116 -2.722 6.917 1.00 0.00 C ATOM 249 O ASN B 17 -1.220 -3.229 6.753 1.00 0.00 O ATOM 250 CB ASN B 17 2.101 -3.823 6.522 1.00 0.00 C ATOM 251 CG ASN B 17 1.595 -5.146 7.076 1.00 0.00 C ATOM 252 OD1 ASN B 17 2.087 -5.621 8.099 1.00 0.00 O ATOM 253 ND2 ASN B 17 0.644 -5.769 6.398 1.00 0.00 N ATOM 0 H ASN B 17 2.586 -1.626 5.572 1.00 0.00 H new ATOM 0 HA ASN B 17 0.576 -3.460 5.038 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.862 -4.023 5.767 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.586 -3.266 7.323 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.296 -6.672 6.720 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.259 -5.346 5.554 1.00 0.00 H new ATOM 260 N ASP B 18 0.169 -1.930 7.941 1.00 0.00 N ATOM 261 CA ASP B 18 -0.781 -1.699 9.018 1.00 0.00 C ATOM 262 C ASP B 18 -1.931 -0.820 8.570 1.00 0.00 C ATOM 263 O ASP B 18 -3.085 -1.100 8.878 1.00 0.00 O ATOM 264 CB ASP B 18 -0.084 -1.058 10.211 1.00 0.00 C ATOM 265 CG ASP B 18 -0.119 -1.940 11.438 1.00 0.00 C ATOM 266 OD1 ASP B 18 -1.134 -1.915 12.165 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 0.869 -2.663 11.684 1.00 0.00 O ATOM 0 H ASP B 18 1.054 -1.435 8.048 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.186 -2.668 9.309 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.952 -0.842 9.951 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.561 -0.104 10.438 1.00 0.00 H new ATOM 272 N LYS B 19 -1.607 0.232 7.831 1.00 0.00 N ATOM 273 CA LYS B 19 -2.565 1.189 7.367 1.00 0.00 C ATOM 274 C LYS B 19 -3.665 0.528 6.544 1.00 0.00 C ATOM 275 O LYS B 19 -4.857 0.730 6.788 1.00 0.00 O ATOM 276 CB LYS B 19 -1.773 2.178 6.545 1.00 0.00 C ATOM 277 CG LYS B 19 -2.585 3.090 5.692 1.00 0.00 C ATOM 278 CD LYS B 19 -3.574 3.911 6.507 1.00 0.00 C ATOM 279 CE LYS B 19 -2.889 4.672 7.630 1.00 0.00 C ATOM 280 NZ LYS B 19 -1.926 5.686 7.119 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.651 0.435 7.540 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.080 1.676 8.195 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.166 2.782 7.219 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.085 1.625 5.905 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.922 3.761 5.146 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -3.127 2.504 4.950 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.088 4.615 5.852 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.334 3.252 6.926 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.642 5.166 8.244 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.364 3.968 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -1.509 6.203 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -1.172 5.210 6.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.423 6.355 6.497 1.00 0.00 H new ATOM 294 N LEU B 20 -3.257 -0.259 5.573 1.00 0.00 N ATOM 295 CA LEU B 20 -4.203 -0.983 4.746 1.00 0.00 C ATOM 296 C LEU B 20 -4.872 -2.104 5.540 1.00 0.00 C ATOM 297 O LEU B 20 -6.095 -2.252 5.502 1.00 0.00 O ATOM 298 CB LEU B 20 -3.515 -1.538 3.500 1.00 0.00 C ATOM 299 CG LEU B 20 -3.076 -0.494 2.472 1.00 0.00 C ATOM 300 CD1 LEU B 20 -2.394 -1.167 1.292 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.266 0.326 2.000 1.00 0.00 C ATOM 0 H LEU B 20 -2.278 -0.415 5.335 1.00 0.00 H new ATOM 0 HA LEU B 20 -4.978 -0.286 4.426 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.639 -2.106 3.812 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.193 -2.239 3.013 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.363 0.179 2.948 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.087 -0.411 0.569 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.517 -1.712 1.641 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.088 -1.861 0.818 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.933 1.063 1.269 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.003 -0.333 1.541 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.716 0.837 2.851 1.00 0.00 H new ATOM 313 N ASN B 21 -4.079 -2.860 6.291 1.00 0.00 N ATOM 314 CA ASN B 21 -4.595 -4.001 7.044 1.00 0.00 C ATOM 315 C ASN B 21 -5.132 -3.570 8.412 1.00 0.00 C ATOM 316 O ASN B 21 -4.647 -4.005 9.458 1.00 0.00 O ATOM 317 CB ASN B 21 -3.505 -5.063 7.222 1.00 0.00 C ATOM 318 CG ASN B 21 -4.029 -6.344 7.844 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.163 -6.751 7.599 1.00 0.00 O ATOM 320 ND2 ASN B 21 -3.215 -6.975 8.674 1.00 0.00 N ATOM 0 H ASN B 21 -3.076 -2.705 6.396 1.00 0.00 H new ATOM 0 HA ASN B 21 -5.420 -4.428 6.473 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.063 -5.290 6.252 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -2.709 -4.659 7.848 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -3.521 -7.831 9.136 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -2.281 -6.606 8.852 1.00 0.00 H new ATOM 327 N LYS B 22 -6.122 -2.689 8.402 1.00 0.00 N ATOM 328 CA LYS B 22 -6.828 -2.327 9.626 1.00 0.00 C ATOM 329 C LYS B 22 -8.198 -2.980 9.645 1.00 0.00 C ATOM 330 O LYS B 22 -8.844 -3.081 10.687 1.00 0.00 O ATOM 331 CB LYS B 22 -6.979 -0.812 9.759 1.00 0.00 C ATOM 332 CG LYS B 22 -5.669 -0.082 9.989 1.00 0.00 C ATOM 333 CD LYS B 22 -5.892 1.383 10.337 1.00 0.00 C ATOM 334 CE LYS B 22 -6.621 1.542 11.666 1.00 0.00 C ATOM 335 NZ LYS B 22 -5.900 0.874 12.781 1.00 0.00 N1+ ATOM 0 H LYS B 22 -6.455 -2.212 7.564 1.00 0.00 H new ATOM 0 HA LYS B 22 -6.238 -2.684 10.470 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.447 -0.423 8.855 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -7.655 -0.595 10.586 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -5.119 -0.567 10.795 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.051 -0.153 9.094 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -4.931 1.896 10.385 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.469 1.861 9.546 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -6.735 2.602 11.892 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -7.624 1.124 11.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.266 1.223 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.045 -0.154 12.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -4.884 1.085 12.713 1.00 0.00 H new ATOM 349 N GLY B 23 -8.631 -3.417 8.475 1.00 0.00 N ATOM 350 CA GLY B 23 -9.913 -4.056 8.335 1.00 0.00 C ATOM 351 C GLY B 23 -10.229 -4.295 6.881 1.00 0.00 C ATOM 352 O GLY B 23 -9.762 -5.274 6.300 1.00 0.00 O ATOM 0 H GLY B 23 -8.103 -3.336 7.606 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.914 -5.004 8.874 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.687 -3.433 8.784 1.00 0.00 H new ATOM 356 N LYS B 24 -10.972 -3.358 6.293 1.00 0.00 N ATOM 357 CA LYS B 24 -11.386 -3.414 4.906 1.00 0.00 C ATOM 358 C LYS B 24 -11.817 -4.820 4.517 1.00 0.00 C ATOM 359 O LYS B 24 -12.564 -5.486 5.237 1.00 0.00 O ATOM 360 CB LYS B 24 -10.245 -2.939 4.003 1.00 0.00 C ATOM 361 CG LYS B 24 -9.671 -1.585 4.392 1.00 0.00 C ATOM 362 CD LYS B 24 -8.440 -1.242 3.577 1.00 0.00 C ATOM 363 CE LYS B 24 -7.896 0.140 3.912 1.00 0.00 C ATOM 364 NZ LYS B 24 -7.549 0.287 5.353 1.00 0.00 N1+ ATOM 0 H LYS B 24 -11.305 -2.527 6.782 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.244 -2.754 4.778 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.446 -3.680 4.024 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.606 -2.888 2.976 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.428 -0.814 4.249 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.416 -1.589 5.452 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -7.667 -1.989 3.758 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -8.685 -1.287 2.516 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -7.010 0.334 3.307 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -8.637 0.893 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -6.987 1.151 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -8.421 0.350 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -6.996 -0.538 5.663 1.00 0.00 H new ATOM 378 N GLY B 25 -11.352 -5.245 3.365 1.00 0.00 N ATOM 379 CA GLY B 25 -11.597 -6.592 2.913 1.00 0.00 C ATOM 380 C GLY B 25 -10.580 -7.545 3.493 1.00 0.00 C ATOM 381 O GLY B 25 -9.581 -7.114 4.068 1.00 0.00 O ATOM 0 H GLY B 25 -10.801 -4.675 2.724 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.600 -6.902 3.205 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.557 -6.628 1.824 1.00 0.00 H new ATOM 385 N LYS B 26 -10.823 -8.832 3.360 1.00 0.00 N ATOM 386 CA LYS B 26 -9.929 -9.819 3.901 1.00 0.00 C ATOM 387 C LYS B 26 -8.834 -10.104 2.893 1.00 0.00 C ATOM 388 O LYS B 26 -9.076 -10.674 1.835 1.00 0.00 O ATOM 389 CB LYS B 26 -10.723 -11.070 4.251 1.00 0.00 C ATOM 390 CG LYS B 26 -9.979 -12.362 4.022 1.00 0.00 C ATOM 391 CD LYS B 26 -10.790 -13.571 4.458 1.00 0.00 C ATOM 392 CE LYS B 26 -12.118 -13.671 3.713 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.848 -14.920 4.048 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.637 -9.214 2.879 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.456 -9.456 4.813 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.020 -11.016 5.298 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -11.639 -11.082 3.660 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.730 -12.455 2.965 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -9.037 -12.340 4.570 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.209 -14.477 4.286 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.980 -13.512 5.530 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.739 -12.810 3.961 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.935 -13.634 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.744 -14.950 3.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.266 -15.742 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.045 -14.944 5.069 1.00 0.00 H new ATOM 407 N LEU B 27 -7.638 -9.671 3.210 1.00 0.00 N ATOM 408 CA LEU B 27 -6.527 -9.817 2.303 1.00 0.00 C ATOM 409 C LEU B 27 -5.231 -10.063 3.058 1.00 0.00 C ATOM 410 O LEU B 27 -5.166 -9.923 4.279 1.00 0.00 O ATOM 411 CB LEU B 27 -6.391 -8.590 1.391 1.00 0.00 C ATOM 412 CG LEU B 27 -5.718 -7.351 1.986 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.335 -6.397 0.869 1.00 0.00 C ATOM 414 CD2 LEU B 27 -6.629 -6.651 2.980 1.00 0.00 C ATOM 0 H LEU B 27 -7.409 -9.213 4.092 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.728 -10.687 1.677 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.830 -8.887 0.505 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -7.388 -8.305 1.056 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.823 -7.669 2.521 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.856 -5.514 1.293 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.644 -6.893 0.188 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.230 -6.097 0.324 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -6.122 -5.775 3.384 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -7.545 -6.340 2.478 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -6.875 -7.335 3.792 1.00 0.00 H new ATOM 426 N SER B 28 -4.210 -10.446 2.317 1.00 0.00 N ATOM 427 CA SER B 28 -2.926 -10.792 2.889 1.00 0.00 C ATOM 428 C SER B 28 -1.810 -9.979 2.243 1.00 0.00 C ATOM 429 O SER B 28 -1.458 -10.222 1.091 1.00 0.00 O ATOM 430 CB SER B 28 -2.675 -12.282 2.672 1.00 0.00 C ATOM 431 OG SER B 28 -3.715 -13.060 3.242 1.00 0.00 O ATOM 0 H SER B 28 -4.248 -10.526 1.301 1.00 0.00 H new ATOM 0 HA SER B 28 -2.937 -10.566 3.955 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.603 -12.491 1.605 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.720 -12.562 3.117 1.00 0.00 H new ATOM 0 HG SER B 28 -3.534 -14.011 3.089 1.00 0.00 H new ATOM 437 N LEU B 29 -1.266 -9.011 2.974 1.00 0.00 N ATOM 438 CA LEU B 29 -0.163 -8.210 2.465 1.00 0.00 C ATOM 439 C LEU B 29 1.158 -8.901 2.763 1.00 0.00 C ATOM 440 O LEU B 29 1.318 -9.539 3.806 1.00 0.00 O ATOM 441 CB LEU B 29 -0.158 -6.817 3.098 1.00 0.00 C ATOM 442 CG LEU B 29 -1.500 -6.081 3.089 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.401 -4.765 3.838 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.962 -5.834 1.665 1.00 0.00 C ATOM 0 H LEU B 29 -1.570 -8.765 3.916 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.291 -8.104 1.388 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.179 -6.908 4.131 1.00 0.00 H new ATOM 0 HB3 LEU B 29 0.576 -6.203 2.576 1.00 0.00 H new ATOM 0 HG LEU B 29 -2.232 -6.712 3.593 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.367 -4.261 3.817 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.113 -4.956 4.872 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -0.651 -4.132 3.364 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.918 -5.310 1.678 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.222 -5.227 1.143 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.078 -6.787 1.150 1.00 0.00 H new ATOM 456 N SER B 30 2.097 -8.764 1.852 1.00 0.00 N ATOM 457 CA SER B 30 3.398 -9.380 1.991 1.00 0.00 C ATOM 458 C SER B 30 4.507 -8.397 1.638 1.00 0.00 C ATOM 459 O SER B 30 4.287 -7.436 0.901 1.00 0.00 O ATOM 460 CB SER B 30 3.472 -10.607 1.096 1.00 0.00 C ATOM 461 OG SER B 30 2.962 -10.330 -0.196 1.00 0.00 O ATOM 0 H SER B 30 1.980 -8.223 0.995 1.00 0.00 H new ATOM 0 HA SER B 30 3.537 -9.680 3.030 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.507 -10.941 1.018 1.00 0.00 H new ATOM 0 HB3 SER B 30 2.907 -11.423 1.546 1.00 0.00 H new ATOM 0 HG SER B 30 2.337 -11.037 -0.460 1.00 0.00 H new ATOM 467 N MET B 31 5.700 -8.649 2.162 1.00 0.00 N ATOM 468 CA MET B 31 6.831 -7.759 1.957 1.00 0.00 C ATOM 469 C MET B 31 7.873 -8.401 1.052 1.00 0.00 C ATOM 470 O MET B 31 8.309 -9.529 1.286 1.00 0.00 O ATOM 471 CB MET B 31 7.485 -7.406 3.292 1.00 0.00 C ATOM 472 CG MET B 31 6.535 -6.795 4.309 1.00 0.00 C ATOM 473 SD MET B 31 7.314 -6.539 5.918 1.00 0.00 S ATOM 474 CE MET B 31 7.644 -8.230 6.414 1.00 0.00 C ATOM 0 H MET B 31 5.908 -9.467 2.735 1.00 0.00 H new ATOM 0 HA MET B 31 6.453 -6.853 1.483 1.00 0.00 H new ATOM 0 HB2 MET B 31 7.925 -8.308 3.718 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.302 -6.708 3.110 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.168 -5.841 3.931 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.668 -7.445 4.428 1.00 0.00 H new ATOM 0 HE1 MET B 31 7.750 -8.277 7.498 1.00 0.00 H new ATOM 0 HE2 MET B 31 6.817 -8.868 6.102 1.00 0.00 H new ATOM 0 HE3 MET B 31 8.565 -8.574 5.944 1.00 0.00 H new ATOM 484 N ASN B 32 8.258 -7.679 0.019 1.00 0.00 N ATOM 485 CA ASN B 32 9.348 -8.089 -0.860 1.00 0.00 C ATOM 486 C ASN B 32 10.033 -6.844 -1.389 1.00 0.00 C ATOM 487 O ASN B 32 9.464 -6.129 -2.208 1.00 0.00 O ATOM 488 CB ASN B 32 8.831 -8.941 -2.024 1.00 0.00 C ATOM 489 CG ASN B 32 9.954 -9.513 -2.871 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.473 -10.590 -2.581 1.00 0.00 O ATOM 491 ND2 ASN B 32 10.334 -8.808 -3.925 1.00 0.00 N ATOM 0 H ASN B 32 7.828 -6.791 -0.239 1.00 0.00 H new ATOM 0 HA ASN B 32 10.054 -8.698 -0.295 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.225 -9.757 -1.631 1.00 0.00 H new ATOM 0 HB3 ASN B 32 8.179 -8.334 -2.653 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.080 -9.154 -4.528 1.00 0.00 H new ATOM 0 HD22 ASN B 32 9.880 -7.919 -4.134 1.00 0.00 H new ATOM 498 N GLY B 33 11.240 -6.572 -0.920 1.00 0.00 N ATOM 499 CA GLY B 33 11.849 -5.290 -1.206 1.00 0.00 C ATOM 500 C GLY B 33 11.055 -4.186 -0.551 1.00 0.00 C ATOM 501 O GLY B 33 10.964 -4.126 0.675 1.00 0.00 O ATOM 0 H GLY B 33 11.803 -7.206 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.876 -5.276 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.891 -5.130 -2.283 1.00 0.00 H new ATOM 505 N ASN B 34 10.455 -3.332 -1.361 1.00 0.00 N ATOM 506 CA ASN B 34 9.529 -2.332 -0.853 1.00 0.00 C ATOM 507 C ASN B 34 8.195 -2.490 -1.567 1.00 0.00 C ATOM 508 O ASN B 34 7.381 -1.568 -1.605 1.00 0.00 O ATOM 509 CB ASN B 34 10.050 -0.904 -1.060 1.00 0.00 C ATOM 510 CG ASN B 34 11.400 -0.621 -0.407 1.00 0.00 C ATOM 511 OD1 ASN B 34 12.265 -1.487 -0.308 1.00 0.00 O ATOM 512 ND2 ASN B 34 11.590 0.608 0.042 1.00 0.00 N ATOM 0 H ASN B 34 10.591 -3.310 -2.372 1.00 0.00 H new ATOM 0 HA ASN B 34 9.417 -2.489 0.220 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.131 -0.712 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN B 34 9.316 -0.202 -0.665 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.474 0.858 0.485 1.00 0.00 H new ATOM 0 HD22 ASN B 34 10.852 1.306 -0.055 1.00 0.00 H new ATOM 519 N GLN B 35 7.990 -3.672 -2.142 1.00 0.00 N ATOM 520 CA GLN B 35 6.797 -3.947 -2.929 1.00 0.00 C ATOM 521 C GLN B 35 5.582 -4.140 -2.047 1.00 0.00 C ATOM 522 O GLN B 35 5.693 -4.475 -0.867 1.00 0.00 O ATOM 523 CB GLN B 35 6.972 -5.209 -3.774 1.00 0.00 C ATOM 524 CG GLN B 35 8.143 -5.157 -4.734 1.00 0.00 C ATOM 525 CD GLN B 35 8.320 -6.449 -5.508 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.435 -6.820 -5.866 1.00 0.00 O ATOM 527 NE2 GLN B 35 7.224 -7.146 -5.771 1.00 0.00 N ATOM 0 H GLN B 35 8.639 -4.456 -2.076 1.00 0.00 H new ATOM 0 HA GLN B 35 6.648 -3.082 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.100 -6.063 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.058 -5.382 -4.342 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.997 -4.335 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN B 35 9.055 -4.943 -4.177 1.00 0.00 H new ATOM 0 HE21 GLN B 35 6.315 -6.805 -5.457 1.00 0.00 H new ATOM 0 HE22 GLN B 35 7.289 -8.023 -6.287 1.00 0.00 H new ATOM 536 N LEU B 36 4.427 -3.957 -2.650 1.00 0.00 N ATOM 537 CA LEU B 36 3.168 -4.216 -1.990 1.00 0.00 C ATOM 538 C LEU B 36 2.471 -5.350 -2.717 1.00 0.00 C ATOM 539 O LEU B 36 1.940 -5.166 -3.810 1.00 0.00 O ATOM 540 CB LEU B 36 2.288 -2.972 -2.014 1.00 0.00 C ATOM 541 CG LEU B 36 1.329 -2.800 -0.829 1.00 0.00 C ATOM 542 CD1 LEU B 36 0.569 -1.492 -0.961 1.00 0.00 C ATOM 543 CD2 LEU B 36 0.352 -3.964 -0.726 1.00 0.00 C ATOM 0 H LEU B 36 4.336 -3.625 -3.610 1.00 0.00 H new ATOM 0 HA LEU B 36 3.349 -4.487 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU B 36 2.934 -2.096 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU B 36 1.700 -2.985 -2.932 1.00 0.00 H new ATOM 0 HG LEU B 36 1.925 -2.783 0.084 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.109 -1.378 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.274 -0.661 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.004 -1.496 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.312 -3.808 0.125 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.238 -4.026 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.906 -4.893 -0.588 1.00 0.00 H new ATOM 555 N LYS B 37 2.505 -6.520 -2.121 1.00 0.00 N ATOM 556 CA LYS B 37 1.864 -7.687 -2.704 1.00 0.00 C ATOM 557 C LYS B 37 0.740 -8.136 -1.793 1.00 0.00 C ATOM 558 O LYS B 37 0.871 -8.071 -0.568 1.00 0.00 O ATOM 559 CB LYS B 37 2.858 -8.836 -2.897 1.00 0.00 C ATOM 560 CG LYS B 37 4.260 -8.392 -3.293 1.00 0.00 C ATOM 561 CD LYS B 37 5.146 -9.560 -3.721 1.00 0.00 C ATOM 562 CE LYS B 37 5.473 -10.516 -2.574 1.00 0.00 C ATOM 563 NZ LYS B 37 4.361 -11.463 -2.277 1.00 0.00 N1+ ATOM 0 H LYS B 37 2.970 -6.694 -1.230 1.00 0.00 H new ATOM 0 HA LYS B 37 1.474 -7.414 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.919 -9.408 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS B 37 2.473 -9.509 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS B 37 4.193 -7.673 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.725 -7.877 -2.453 1.00 0.00 H new ATOM 0 HD2 LYS B 37 4.648 -10.114 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.075 -9.170 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS B 37 6.370 -11.083 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.701 -9.938 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 3.966 -11.251 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 3.617 -11.361 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 4.723 -12.438 -2.289 1.00 0.00 H new ATOM 577 N ALA B 38 -0.356 -8.587 -2.375 1.00 0.00 N ATOM 578 CA ALA B 38 -1.520 -8.959 -1.589 1.00 0.00 C ATOM 579 C ALA B 38 -2.452 -9.902 -2.335 1.00 0.00 C ATOM 580 O ALA B 38 -2.455 -9.951 -3.565 1.00 0.00 O ATOM 581 CB ALA B 38 -2.286 -7.713 -1.179 1.00 0.00 C ATOM 0 H ALA B 38 -0.466 -8.704 -3.382 1.00 0.00 H new ATOM 0 HA ALA B 38 -1.155 -9.487 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -3.157 -7.999 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -1.640 -7.069 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.611 -7.176 -2.070 1.00 0.00 H new ATOM 587 N THR B 39 -3.237 -10.649 -1.571 1.00 0.00 N ATOM 588 CA THR B 39 -4.317 -11.454 -2.111 1.00 0.00 C ATOM 589 C THR B 39 -5.574 -11.172 -1.309 1.00 0.00 C ATOM 590 O THR B 39 -5.522 -11.147 -0.081 1.00 0.00 O ATOM 591 CB THR B 39 -3.994 -12.951 -2.058 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.307 -13.263 -0.837 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.152 -13.378 -3.252 1.00 0.00 C ATOM 0 H THR B 39 -3.140 -10.712 -0.558 1.00 0.00 H new ATOM 0 HA THR B 39 -4.459 -11.189 -3.159 1.00 0.00 H new ATOM 0 HB THR B 39 -4.935 -13.500 -2.094 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.106 -14.222 -0.811 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.940 -14.445 -3.185 1.00 0.00 H new ATOM 0 HG22 THR B 39 -3.697 -13.174 -4.173 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.215 -12.821 -3.254 1.00 0.00 H new ATOM 601 N SER B 40 -6.693 -10.975 -1.981 1.00 0.00 N ATOM 602 CA SER B 40 -7.852 -10.368 -1.339 1.00 0.00 C ATOM 603 C SER B 40 -9.129 -11.199 -1.472 1.00 0.00 C ATOM 604 O SER B 40 -9.255 -12.068 -2.339 1.00 0.00 O ATOM 605 CB SER B 40 -8.079 -8.974 -1.927 1.00 0.00 C ATOM 606 OG SER B 40 -9.188 -8.327 -1.324 1.00 0.00 O ATOM 0 H SER B 40 -6.827 -11.222 -2.961 1.00 0.00 H new ATOM 0 HA SER B 40 -7.632 -10.311 -0.273 1.00 0.00 H new ATOM 0 HB2 SER B 40 -7.183 -8.369 -1.786 1.00 0.00 H new ATOM 0 HB3 SER B 40 -8.244 -9.054 -3.001 1.00 0.00 H new ATOM 0 HG SER B 40 -9.782 -7.978 -2.021 1.00 0.00 H new ATOM 612 N SER B 41 -10.064 -10.905 -0.579 1.00 0.00 N ATOM 613 CA SER B 41 -11.394 -11.474 -0.589 1.00 0.00 C ATOM 614 C SER B 41 -12.411 -10.362 -0.367 1.00 0.00 C ATOM 615 O SER B 41 -12.082 -9.303 0.176 1.00 0.00 O ATOM 616 CB SER B 41 -11.523 -12.536 0.497 1.00 0.00 C ATOM 617 OG SER B 41 -12.795 -13.154 0.467 1.00 0.00 O ATOM 0 H SER B 41 -9.910 -10.249 0.187 1.00 0.00 H new ATOM 0 HA SER B 41 -11.580 -11.949 -1.552 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.747 -13.290 0.364 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.361 -12.081 1.474 1.00 0.00 H new ATOM 0 HG SER B 41 -12.696 -14.115 0.630 1.00 0.00 H new ATOM 623 N ASN B 42 -13.647 -10.619 -0.746 1.00 0.00 N ATOM 624 CA ASN B 42 -14.675 -9.589 -0.770 1.00 0.00 C ATOM 625 C ASN B 42 -15.691 -9.819 0.332 1.00 0.00 C ATOM 626 O ASN B 42 -16.854 -9.439 0.217 1.00 0.00 O ATOM 627 CB ASN B 42 -15.372 -9.555 -2.133 1.00 0.00 C ATOM 628 CG ASN B 42 -14.410 -9.248 -3.263 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.837 -10.153 -3.873 1.00 0.00 O ATOM 630 ND2 ASN B 42 -14.210 -7.970 -3.539 1.00 0.00 N ATOM 0 H ASN B 42 -13.969 -11.540 -1.045 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.193 -8.626 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.851 -10.516 -2.318 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -16.161 -8.803 -2.116 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.562 -7.704 -4.280 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.704 -7.251 -3.011 1.00 0.00 H new ATOM 637 N ALA B 43 -15.222 -10.419 1.412 1.00 0.00 N ATOM 638 CA ALA B 43 -16.076 -10.789 2.545 1.00 0.00 C ATOM 639 C ALA B 43 -16.500 -9.584 3.393 1.00 0.00 C ATOM 640 O ALA B 43 -16.843 -9.736 4.566 1.00 0.00 O ATOM 641 CB ALA B 43 -15.362 -11.814 3.415 1.00 0.00 C ATOM 0 H ALA B 43 -14.240 -10.667 1.536 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.988 -11.219 2.131 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -16.001 -12.086 4.256 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -15.142 -12.703 2.824 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -14.431 -11.388 3.789 1.00 0.00 H new ATOM 647 N GLY B 44 -16.471 -8.390 2.813 1.00 0.00 N ATOM 648 CA GLY B 44 -16.869 -7.203 3.548 1.00 0.00 C ATOM 649 C GLY B 44 -16.265 -5.938 2.973 1.00 0.00 C ATOM 650 O GLY B 44 -16.933 -4.909 2.906 1.00 0.00 O ATOM 0 H GLY B 44 -16.180 -8.222 1.850 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.956 -7.120 3.538 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.566 -7.306 4.590 1.00 0.00 H new ATOM 654 N TYR B 45 -15.007 -6.048 2.537 1.00 0.00 N ATOM 655 CA TYR B 45 -14.231 -4.950 1.965 1.00 0.00 C ATOM 656 C TYR B 45 -14.330 -3.639 2.764 1.00 0.00 C ATOM 657 O TYR B 45 -14.622 -3.662 3.953 1.00 0.00 O ATOM 658 CB TYR B 45 -14.562 -4.760 0.487 1.00 0.00 C ATOM 659 CG TYR B 45 -15.989 -4.331 0.168 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.427 -3.033 0.408 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.893 -5.230 -0.382 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.717 -2.644 0.113 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.187 -4.848 -0.683 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.593 -3.553 -0.433 1.00 0.00 C ATOM 665 OH TYR B 45 -19.878 -3.163 -0.736 1.00 0.00 O ATOM 0 H TYR B 45 -14.489 -6.926 2.574 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.183 -5.240 2.039 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.880 -4.015 0.076 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.361 -5.697 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.743 -2.314 0.834 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.580 -6.245 -0.578 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.037 -1.632 0.310 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.877 -5.560 -1.112 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.369 -3.921 -1.115 1.00 0.00 H new ATOM 675 N GLY B 46 -14.023 -2.508 2.128 1.00 0.00 N ATOM 676 CA GLY B 46 -14.000 -1.240 2.830 1.00 0.00 C ATOM 677 C GLY B 46 -15.382 -0.767 3.254 1.00 0.00 C ATOM 678 O GLY B 46 -16.230 -0.490 2.408 1.00 0.00 O ATOM 0 H GLY B 46 -13.790 -2.451 1.137 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.367 -1.332 3.713 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.545 -0.485 2.189 1.00 0.00 H new ATOM 682 N ILE B 47 -15.616 -0.693 4.564 1.00 0.00 N ATOM 683 CA ILE B 47 -16.886 -0.186 5.087 1.00 0.00 C ATOM 684 C ILE B 47 -16.656 1.005 6.003 1.00 0.00 C ATOM 685 O ILE B 47 -17.162 2.100 5.754 1.00 0.00 O ATOM 686 CB ILE B 47 -17.663 -1.233 5.910 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.244 -2.658 5.562 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.155 -1.049 5.704 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.128 -3.185 6.441 1.00 0.00 C ATOM 0 H ILE B 47 -14.947 -0.976 5.280 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.468 0.087 4.207 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.423 -1.076 6.962 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.109 -3.316 5.651 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -16.924 -2.691 4.521 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.697 -1.792 6.288 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.446 -0.050 6.027 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.394 -1.173 4.648 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.878 -4.203 6.141 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.249 -2.549 6.334 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.453 -3.183 7.482 1.00 0.00 H new ATOM 701 N SER B 48 -15.908 0.746 7.078 1.00 0.00 N ATOM 702 CA SER B 48 -15.595 1.739 8.108 1.00 0.00 C ATOM 703 C SER B 48 -15.287 3.105 7.511 1.00 0.00 C ATOM 704 O SER B 48 -15.923 4.110 7.834 1.00 0.00 O ATOM 705 CB SER B 48 -14.395 1.253 8.911 1.00 0.00 C ATOM 706 OG SER B 48 -14.630 -0.042 9.443 1.00 0.00 O ATOM 0 H SER B 48 -15.498 -0.170 7.260 1.00 0.00 H new ATOM 0 HA SER B 48 -16.470 1.851 8.749 1.00 0.00 H new ATOM 0 HB2 SER B 48 -13.511 1.234 8.274 1.00 0.00 H new ATOM 0 HB3 SER B 48 -14.189 1.951 9.722 1.00 0.00 H new ATOM 0 HG SER B 48 -13.845 -0.334 9.953 1.00 0.00 H new ATOM 712 N TYR B 49 -14.302 3.119 6.644 1.00 0.00 N ATOM 713 CA TYR B 49 -13.922 4.319 5.924 1.00 0.00 C ATOM 714 C TYR B 49 -14.898 4.533 4.781 1.00 0.00 C ATOM 715 O TYR B 49 -14.869 3.809 3.784 1.00 0.00 O ATOM 716 CB TYR B 49 -12.502 4.183 5.373 1.00 0.00 C ATOM 717 CG TYR B 49 -11.697 3.076 6.014 1.00 0.00 C ATOM 718 CD1 TYR B 49 -11.824 1.766 5.574 1.00 0.00 C ATOM 719 CD2 TYR B 49 -10.811 3.337 7.048 1.00 0.00 C ATOM 720 CE1 TYR B 49 -11.093 0.749 6.147 1.00 0.00 C ATOM 721 CE2 TYR B 49 -10.070 2.323 7.625 1.00 0.00 C ATOM 722 CZ TYR B 49 -10.216 1.030 7.170 1.00 0.00 C ATOM 723 OH TYR B 49 -9.473 0.015 7.729 1.00 0.00 O ATOM 0 H TYR B 49 -13.739 2.300 6.415 1.00 0.00 H new ATOM 0 HA TYR B 49 -13.948 5.172 6.602 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -12.556 4.004 4.299 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -11.977 5.128 5.513 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -12.507 1.540 4.769 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -10.698 4.349 7.408 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -11.208 -0.266 5.795 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -9.381 2.542 8.427 1.00 0.00 H new ATOM 0 HH TYR B 49 -9.851 -0.850 7.466 1.00 0.00 H new ATOM 733 N GLU B 50 -15.774 5.515 4.948 1.00 0.00 N ATOM 734 CA GLU B 50 -16.813 5.796 3.968 1.00 0.00 C ATOM 735 C GLU B 50 -16.201 6.140 2.623 1.00 0.00 C ATOM 736 O GLU B 50 -16.589 5.590 1.594 1.00 0.00 O ATOM 737 CB GLU B 50 -17.699 6.945 4.443 1.00 0.00 C ATOM 738 CG GLU B 50 -18.300 6.712 5.816 1.00 0.00 C ATOM 739 CD GLU B 50 -19.259 7.809 6.225 1.00 0.00 C ATOM 740 OE1 GLU B 50 -20.451 7.725 5.863 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -18.826 8.757 6.914 1.00 0.00 O ATOM 0 H GLU B 50 -15.785 6.134 5.759 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.424 4.901 3.857 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -17.112 7.863 4.462 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -18.503 7.096 3.723 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.823 5.756 5.822 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.499 6.641 6.552 1.00 0.00 H new ATOM 748 N ASP B 51 -15.240 7.047 2.641 1.00 0.00 N ATOM 749 CA ASP B 51 -14.567 7.465 1.425 1.00 0.00 C ATOM 750 C ASP B 51 -13.292 8.223 1.770 1.00 0.00 C ATOM 751 O ASP B 51 -13.344 9.336 2.295 1.00 0.00 O ATOM 752 CB ASP B 51 -15.491 8.359 0.604 1.00 0.00 C ATOM 753 CG ASP B 51 -14.956 8.660 -0.779 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.012 9.467 -0.896 1.00 0.00 O ATOM 755 OD2 ASP B 51 -15.484 8.100 -1.759 1.00 0.00 O1- ATOM 0 H ASP B 51 -14.908 7.509 3.487 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.309 6.582 0.841 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.465 7.878 0.513 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.647 9.296 1.138 1.00 0.00 H new ATOM 760 N LYS B 52 -12.154 7.618 1.482 1.00 0.00 N ATOM 761 CA LYS B 52 -10.867 8.250 1.737 1.00 0.00 C ATOM 762 C LYS B 52 -9.985 8.090 0.514 1.00 0.00 C ATOM 763 O LYS B 52 -9.877 6.994 -0.034 1.00 0.00 O ATOM 764 CB LYS B 52 -10.154 7.622 2.941 1.00 0.00 C ATOM 765 CG LYS B 52 -10.986 7.531 4.214 1.00 0.00 C ATOM 766 CD LYS B 52 -11.250 8.897 4.825 1.00 0.00 C ATOM 767 CE LYS B 52 -11.881 8.768 6.203 1.00 0.00 C ATOM 768 NZ LYS B 52 -12.141 10.093 6.824 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.092 6.687 1.070 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.048 9.303 1.955 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.828 6.619 2.667 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.256 8.202 3.154 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.936 7.045 3.991 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -10.469 6.904 4.940 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.315 9.452 4.900 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -11.909 9.470 4.172 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.817 8.216 6.122 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.223 8.188 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -12.571 9.959 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -11.245 10.611 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -12.789 10.638 6.221 1.00 0.00 H new ATOM 782 N ASN B 53 -9.370 9.173 0.081 1.00 0.00 N ATOM 783 CA ASN B 53 -8.464 9.127 -1.048 1.00 0.00 C ATOM 784 C ASN B 53 -7.057 9.408 -0.576 1.00 0.00 C ATOM 785 O ASN B 53 -6.803 10.424 0.074 1.00 0.00 O ATOM 786 CB ASN B 53 -8.842 10.157 -2.110 1.00 0.00 C ATOM 787 CG ASN B 53 -10.264 10.011 -2.612 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.535 9.248 -3.541 1.00 0.00 O ATOM 789 ND2 ASN B 53 -11.184 10.754 -2.015 1.00 0.00 N ATOM 0 H ASN B 53 -9.482 10.098 0.496 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.529 8.133 -1.490 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.711 11.157 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -8.156 10.067 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -12.156 10.706 -2.321 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.921 11.374 -1.249 1.00 0.00 H new ATOM 796 N TRP B 54 -6.145 8.517 -0.889 1.00 0.00 N ATOM 797 CA TRP B 54 -4.765 8.710 -0.533 1.00 0.00 C ATOM 798 C TRP B 54 -3.848 7.985 -1.505 1.00 0.00 C ATOM 799 O TRP B 54 -4.302 7.169 -2.311 1.00 0.00 O ATOM 800 CB TRP B 54 -4.523 8.273 0.908 1.00 0.00 C ATOM 801 CG TRP B 54 -4.627 6.807 1.179 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.757 6.037 1.198 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.545 5.947 1.524 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.436 4.743 1.534 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.077 4.664 1.736 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.166 6.146 1.667 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.278 3.579 2.092 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.377 5.067 2.018 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.936 3.799 2.227 1.00 0.00 C ATOM 0 H TRP B 54 -6.338 7.650 -1.391 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.531 9.772 -0.602 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.529 8.607 1.205 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.237 8.791 1.548 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.754 6.393 0.981 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.096 3.970 1.619 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.729 7.121 1.507 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.704 2.600 2.255 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.312 5.203 2.133 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.291 2.977 2.501 1.00 0.00 H new ATOM 820 N GLY B 55 -2.566 8.307 -1.445 1.00 0.00 N ATOM 821 CA GLY B 55 -1.622 7.750 -2.385 1.00 0.00 C ATOM 822 C GLY B 55 -0.397 7.169 -1.713 1.00 0.00 C ATOM 823 O GLY B 55 0.078 7.698 -0.706 1.00 0.00 O ATOM 0 H GLY B 55 -2.163 8.946 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.114 6.972 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.313 8.526 -3.085 1.00 0.00 H new ATOM 827 N ILE B 56 0.090 6.062 -2.253 1.00 0.00 N ATOM 828 CA ILE B 56 1.368 5.506 -1.844 1.00 0.00 C ATOM 829 C ILE B 56 2.396 5.759 -2.938 1.00 0.00 C ATOM 830 O ILE B 56 2.044 5.857 -4.120 1.00 0.00 O ATOM 831 CB ILE B 56 1.256 3.999 -1.577 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.051 3.728 -0.682 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.526 3.475 -0.919 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.359 2.282 -0.650 1.00 0.00 C ATOM 0 H ILE B 56 -0.386 5.529 -2.981 1.00 0.00 H new ATOM 0 HA ILE B 56 1.679 5.991 -0.919 1.00 0.00 H new ATOM 0 HB ILE B 56 1.125 3.481 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.281 4.055 0.332 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.791 4.329 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.427 2.405 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.377 3.655 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.684 3.990 0.028 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.222 2.163 0.006 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.621 1.956 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.467 1.678 -0.276 1.00 0.00 H new ATOM 846 N PHE B 57 3.656 5.870 -2.550 1.00 0.00 N ATOM 847 CA PHE B 57 4.698 6.306 -3.466 1.00 0.00 C ATOM 848 C PHE B 57 5.916 5.398 -3.389 1.00 0.00 C ATOM 849 O PHE B 57 6.293 4.964 -2.304 1.00 0.00 O ATOM 850 CB PHE B 57 5.054 7.758 -3.137 1.00 0.00 C ATOM 851 CG PHE B 57 3.831 8.624 -3.175 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.353 9.107 -4.380 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.125 8.900 -2.017 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.190 9.849 -4.430 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.971 9.647 -2.062 1.00 0.00 C ATOM 856 CZ PHE B 57 1.498 10.119 -3.268 1.00 0.00 C ATOM 0 H PHE B 57 3.983 5.664 -1.606 1.00 0.00 H new ATOM 0 HA PHE B 57 4.335 6.247 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.513 7.811 -2.150 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.790 8.128 -3.851 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.895 8.901 -5.291 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.483 8.525 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.823 10.217 -5.377 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.434 9.864 -1.150 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.588 10.699 -3.303 1.00 0.00 H new ATOM 866 N VAL B 58 6.526 5.102 -4.540 1.00 0.00 N ATOM 867 CA VAL B 58 7.666 4.214 -4.573 1.00 0.00 C ATOM 868 C VAL B 58 8.832 4.909 -5.250 1.00 0.00 C ATOM 869 O VAL B 58 8.673 5.518 -6.306 1.00 0.00 O ATOM 870 CB VAL B 58 7.345 2.879 -5.285 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.061 3.084 -6.767 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.478 1.880 -5.084 1.00 0.00 C ATOM 0 H VAL B 58 6.244 5.467 -5.450 1.00 0.00 H new ATOM 0 HA VAL B 58 7.931 3.970 -3.544 1.00 0.00 H new ATOM 0 HB VAL B 58 6.439 2.474 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.840 2.123 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.206 3.749 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL B 58 7.934 3.527 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.235 0.947 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.400 2.288 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.611 1.690 -4.019 1.00 0.00 H new ATOM 882 N ASN B 59 9.994 4.848 -4.609 1.00 0.00 N ATOM 883 CA ASN B 59 11.194 5.532 -5.081 1.00 0.00 C ATOM 884 C ASN B 59 10.969 7.035 -5.045 1.00 0.00 C ATOM 885 O ASN B 59 11.757 7.809 -5.583 1.00 0.00 O ATOM 886 CB ASN B 59 11.573 5.111 -6.506 1.00 0.00 C ATOM 887 CG ASN B 59 11.355 3.639 -6.785 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.187 2.793 -6.462 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.233 3.339 -7.416 1.00 0.00 N ATOM 0 H ASN B 59 10.131 4.322 -3.746 1.00 0.00 H new ATOM 0 HA ASN B 59 12.015 5.253 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.989 5.697 -7.216 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.621 5.353 -6.680 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.026 2.369 -7.656 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.574 4.077 -7.663 1.00 0.00 H new ATOM 896 N GLY B 60 9.885 7.436 -4.397 1.00 0.00 N ATOM 897 CA GLY B 60 9.512 8.825 -4.363 1.00 0.00 C ATOM 898 C GLY B 60 8.469 9.169 -5.413 1.00 0.00 C ATOM 899 O GLY B 60 7.981 10.301 -5.483 1.00 0.00 O ATOM 0 H GLY B 60 9.255 6.813 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.124 9.070 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.398 9.441 -4.519 1.00 0.00 H new ATOM 903 N GLU B 61 8.133 8.181 -6.226 1.00 0.00 N ATOM 904 CA GLU B 61 7.189 8.333 -7.316 1.00 0.00 C ATOM 905 C GLU B 61 5.862 7.732 -6.925 1.00 0.00 C ATOM 906 O GLU B 61 5.750 7.173 -5.861 1.00 0.00 O ATOM 907 CB GLU B 61 7.714 7.614 -8.548 1.00 0.00 C ATOM 908 CG GLU B 61 8.566 8.482 -9.452 1.00 0.00 C ATOM 909 CD GLU B 61 9.198 7.698 -10.577 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.523 7.453 -11.597 1.00 0.00 O ATOM 911 OE2 GLU B 61 10.380 7.318 -10.449 1.00 0.00 O1- ATOM 0 H GLU B 61 8.515 7.239 -6.145 1.00 0.00 H new ATOM 0 HA GLU B 61 7.062 9.393 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.301 6.752 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.869 7.231 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.951 9.279 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.348 8.959 -8.861 1.00 0.00 H new ATOM 918 N LYS B 62 4.862 7.829 -7.774 1.00 0.00 N ATOM 919 CA LYS B 62 3.589 7.182 -7.494 1.00 0.00 C ATOM 920 C LYS B 62 3.772 5.662 -7.450 1.00 0.00 C ATOM 921 O LYS B 62 4.781 5.139 -7.922 1.00 0.00 O ATOM 922 CB LYS B 62 2.564 7.565 -8.568 1.00 0.00 C ATOM 923 CG LYS B 62 1.157 7.074 -8.280 1.00 0.00 C ATOM 924 CD LYS B 62 0.523 7.865 -7.153 1.00 0.00 C ATOM 925 CE LYS B 62 0.290 9.310 -7.557 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.738 9.431 -8.625 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.899 8.342 -8.655 1.00 0.00 H new ATOM 0 HA LYS B 62 3.223 7.517 -6.523 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.546 8.650 -8.668 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.890 7.162 -9.527 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.547 7.162 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.184 6.017 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.425 7.406 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.167 7.830 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.024 9.884 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.227 9.745 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.051 10.420 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.331 9.132 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.552 8.826 -8.394 1.00 0.00 H new ATOM 940 N VAL B 63 2.849 4.970 -6.798 1.00 0.00 N ATOM 941 CA VAL B 63 2.743 3.524 -6.943 1.00 0.00 C ATOM 942 C VAL B 63 1.311 3.070 -6.675 1.00 0.00 C ATOM 943 O VAL B 63 0.941 1.934 -6.961 1.00 0.00 O ATOM 944 CB VAL B 63 3.716 2.767 -6.005 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.269 2.841 -4.554 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.881 1.321 -6.448 1.00 0.00 C ATOM 0 H VAL B 63 2.164 5.384 -6.165 1.00 0.00 H new ATOM 0 HA VAL B 63 3.020 3.284 -7.969 1.00 0.00 H new ATOM 0 HB VAL B 63 4.686 3.259 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL B 63 3.977 2.298 -3.927 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.230 3.883 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.280 2.394 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.569 0.810 -5.774 1.00 0.00 H new ATOM 0 HG22 VAL B 63 2.913 0.821 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.280 1.294 -7.462 1.00 0.00 H new ATOM 956 N TYR B 64 0.497 3.975 -6.144 1.00 0.00 N ATOM 957 CA TYR B 64 -0.848 3.620 -5.735 1.00 0.00 C ATOM 958 C TYR B 64 -1.714 4.869 -5.602 1.00 0.00 C ATOM 959 O TYR B 64 -1.277 5.892 -5.073 1.00 0.00 O ATOM 960 CB TYR B 64 -0.782 2.890 -4.397 1.00 0.00 C ATOM 961 CG TYR B 64 -1.710 1.702 -4.251 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.936 1.652 -4.897 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.363 0.636 -3.429 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.786 0.580 -4.727 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.207 -0.443 -3.261 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.418 -0.463 -3.908 1.00 0.00 C ATOM 967 OH TYR B 64 -4.268 -1.529 -3.740 1.00 0.00 O ATOM 0 H TYR B 64 0.746 4.952 -5.989 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.294 2.973 -6.490 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.242 2.550 -4.240 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.006 3.603 -3.604 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.230 2.466 -5.544 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.415 0.652 -2.912 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.739 0.559 -5.235 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.917 -1.266 -2.625 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.860 -2.180 -3.132 1.00 0.00 H new ATOM 977 N THR B 65 -2.924 4.776 -6.110 1.00 0.00 N ATOM 978 CA THR B 65 -3.932 5.824 -5.970 1.00 0.00 C ATOM 979 C THR B 65 -5.313 5.179 -5.948 1.00 0.00 C ATOM 980 O THR B 65 -5.714 4.532 -6.917 1.00 0.00 O ATOM 981 CB THR B 65 -3.845 6.858 -7.113 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.539 7.448 -7.124 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.893 7.950 -6.948 1.00 0.00 C ATOM 0 H THR B 65 -3.246 3.965 -6.639 1.00 0.00 H new ATOM 0 HA THR B 65 -3.751 6.358 -5.037 1.00 0.00 H new ATOM 0 HB THR B 65 -4.032 6.343 -8.056 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.572 8.325 -6.687 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.807 8.663 -7.768 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.888 7.504 -6.958 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.735 8.465 -6.000 1.00 0.00 H new ATOM 991 N PHE B 66 -6.035 5.353 -4.845 1.00 0.00 N ATOM 992 CA PHE B 66 -7.195 4.544 -4.567 1.00 0.00 C ATOM 993 C PHE B 66 -8.011 5.118 -3.425 1.00 0.00 C ATOM 994 O PHE B 66 -7.533 5.933 -2.632 1.00 0.00 O ATOM 995 CB PHE B 66 -6.764 3.104 -4.251 1.00 0.00 C ATOM 996 CG PHE B 66 -5.766 2.918 -3.140 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.918 3.925 -2.698 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.664 1.677 -2.570 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.990 3.680 -1.704 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -4.743 1.419 -1.576 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.901 2.421 -1.145 1.00 0.00 C ATOM 0 H PHE B 66 -5.828 6.053 -4.132 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.829 4.541 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.657 2.530 -4.004 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.346 2.669 -5.159 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.985 4.910 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -6.317 0.885 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.337 4.471 -1.366 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -4.682 0.434 -1.137 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.173 2.222 -0.372 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.251 4.698 -3.395 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.198 5.082 -2.359 1.00 0.00 C ATOM 1013 C ASN B 67 -10.577 3.855 -1.531 1.00 0.00 C ATOM 1014 O ASN B 67 -10.448 2.722 -1.999 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.449 5.680 -3.007 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.371 6.358 -2.016 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -13.199 5.715 -1.373 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -12.238 7.663 -1.893 1.00 0.00 N ATOM 0 H ASN B 67 -9.644 4.070 -4.096 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.742 5.826 -1.706 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.147 6.403 -3.765 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.997 4.890 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.835 8.178 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.538 8.159 -2.445 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.066 4.082 -0.317 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.411 2.993 0.593 1.00 0.00 C ATOM 1027 C GLU B 68 -12.703 2.303 0.153 1.00 0.00 C ATOM 1028 O GLU B 68 -12.860 1.092 0.309 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.558 3.536 2.012 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.290 4.182 2.550 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.219 3.177 2.926 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.458 2.747 2.038 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -9.134 2.820 4.121 1.00 0.00 O1- ATOM 0 H GLU B 68 -11.233 5.014 0.062 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.610 2.254 0.572 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.365 4.268 2.030 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.851 2.722 2.675 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.891 4.864 1.799 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.539 4.782 3.425 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.616 3.089 -0.406 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.872 2.583 -0.952 1.00 0.00 C ATOM 1042 C LYS B 69 -14.585 1.765 -2.194 1.00 0.00 C ATOM 1043 O LYS B 69 -15.296 0.821 -2.532 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.770 3.747 -1.350 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.229 3.363 -1.536 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.063 4.555 -1.975 1.00 0.00 C ATOM 1047 CE LYS B 69 -19.550 4.238 -1.958 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.889 3.077 -2.823 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.506 4.099 -0.494 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.364 1.972 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.703 4.522 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.397 4.180 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.306 2.569 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.624 2.965 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.864 5.401 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.767 4.856 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.863 4.030 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -20.110 5.112 -2.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -20.922 2.962 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.524 3.241 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.458 2.215 -2.432 1.00 0.00 H new ATOM 1062 N SER B 70 -13.536 2.180 -2.876 1.00 0.00 N ATOM 1063 CA SER B 70 -13.062 1.539 -4.071 1.00 0.00 C ATOM 1064 C SER B 70 -12.241 0.293 -3.704 1.00 0.00 C ATOM 1065 O SER B 70 -11.747 -0.424 -4.574 1.00 0.00 O ATOM 1066 CB SER B 70 -12.246 2.585 -4.818 1.00 0.00 C ATOM 1067 OG SER B 70 -13.033 3.743 -5.053 1.00 0.00 O ATOM 0 H SER B 70 -12.982 2.991 -2.602 1.00 0.00 H new ATOM 0 HA SER B 70 -13.874 1.186 -4.707 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.361 2.849 -4.239 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.896 2.176 -5.766 1.00 0.00 H new ATOM 0 HG SER B 70 -12.498 4.410 -5.532 1.00 0.00 H new ATOM 1073 N THR B 71 -12.142 0.061 -2.394 1.00 0.00 N ATOM 1074 CA THR B 71 -11.684 -1.177 -1.791 1.00 0.00 C ATOM 1075 C THR B 71 -10.327 -1.639 -2.300 1.00 0.00 C ATOM 1076 O THR B 71 -10.203 -2.263 -3.360 1.00 0.00 O ATOM 1077 CB THR B 71 -12.733 -2.290 -1.935 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.801 -2.776 -3.283 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.101 -1.784 -1.518 1.00 0.00 C ATOM 0 H THR B 71 -12.391 0.766 -1.700 1.00 0.00 H new ATOM 0 HA THR B 71 -11.550 -0.957 -0.732 1.00 0.00 H new ATOM 0 HB THR B 71 -12.429 -3.110 -1.284 1.00 0.00 H new ATOM 0 HG1 THR B 71 -11.901 -2.793 -3.671 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.833 -2.584 -1.626 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.068 -1.460 -0.478 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.386 -0.943 -2.151 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.321 -1.362 -1.484 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.930 -1.644 -1.809 1.00 0.00 C ATOM 1089 C VAL B 72 -7.704 -3.120 -2.133 1.00 0.00 C ATOM 1090 O VAL B 72 -6.739 -3.462 -2.802 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.999 -1.234 -0.643 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.421 0.112 -0.068 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.970 -2.299 0.445 1.00 0.00 C ATOM 0 H VAL B 72 -9.448 -0.931 -0.568 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.692 -1.056 -2.695 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.989 -1.139 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.754 0.383 0.751 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.368 0.873 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.443 0.044 0.304 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.307 -1.980 1.249 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.976 -2.443 0.840 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.607 -3.237 0.026 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.601 -3.983 -1.666 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.445 -5.409 -1.877 1.00 0.00 C ATOM 1105 C GLY B 73 -8.352 -5.772 -3.344 1.00 0.00 C ATOM 1106 O GLY B 73 -7.385 -6.403 -3.778 1.00 0.00 O ATOM 0 H GLY B 73 -9.436 -3.718 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.547 -5.753 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.289 -5.934 -1.429 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.343 -5.348 -4.117 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.377 -5.650 -5.544 1.00 0.00 C ATOM 1112 C ASN B 74 -8.278 -4.887 -6.268 1.00 0.00 C ATOM 1113 O ASN B 74 -7.727 -5.355 -7.268 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.736 -5.289 -6.158 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.908 -5.916 -5.452 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.814 -6.998 -4.869 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.027 -5.219 -5.494 1.00 0.00 N ATOM 0 H ASN B 74 -10.132 -4.795 -3.782 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.218 -6.722 -5.660 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.854 -4.205 -6.145 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.746 -5.598 -7.203 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.865 -5.571 -5.031 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.055 -4.328 -5.990 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.960 -3.705 -5.761 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.940 -2.866 -6.378 1.00 0.00 C ATOM 1126 C ILE B 75 -5.552 -3.460 -6.193 1.00 0.00 C ATOM 1127 O ILE B 75 -4.744 -3.472 -7.119 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.945 -1.450 -5.795 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.374 -1.029 -5.480 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.297 -0.487 -6.777 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.499 0.390 -4.993 1.00 0.00 C ATOM 0 H ILE B 75 -8.391 -3.305 -4.927 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.180 -2.819 -7.440 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.370 -1.433 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.984 -1.150 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.781 -1.700 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.303 0.519 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.269 -0.796 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.854 -0.493 -7.714 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.546 0.614 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.918 0.514 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -8.123 1.071 -5.757 1.00 0.00 H new ATOM 1143 N SER B 76 -5.292 -3.952 -4.990 1.00 0.00 N ATOM 1144 CA SER B 76 -3.994 -4.539 -4.650 1.00 0.00 C ATOM 1145 C SER B 76 -3.666 -5.697 -5.580 1.00 0.00 C ATOM 1146 O SER B 76 -2.503 -5.965 -5.866 1.00 0.00 O ATOM 1147 CB SER B 76 -3.970 -5.010 -3.193 1.00 0.00 C ATOM 1148 OG SER B 76 -4.227 -3.936 -2.303 1.00 0.00 O ATOM 0 H SER B 76 -5.966 -3.958 -4.224 1.00 0.00 H new ATOM 0 HA SER B 76 -3.236 -3.766 -4.775 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.715 -5.792 -3.048 1.00 0.00 H new ATOM 0 HB3 SER B 76 -2.999 -5.450 -2.966 1.00 0.00 H new ATOM 0 HG SER B 76 -5.194 -3.800 -2.225 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.710 -6.371 -6.048 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.573 -7.409 -7.060 1.00 0.00 C ATOM 1156 C ASN B 77 -3.805 -6.865 -8.246 1.00 0.00 C ATOM 1157 O ASN B 77 -2.807 -7.432 -8.686 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.952 -7.844 -7.534 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.920 -9.093 -8.386 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.705 -9.039 -9.599 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.165 -10.220 -7.758 1.00 0.00 N ATOM 0 H ASN B 77 -5.669 -6.214 -5.738 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.041 -8.257 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.589 -8.019 -6.667 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.406 -7.034 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.183 -11.099 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -6.337 -10.217 -6.753 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.295 -5.748 -8.751 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.653 -5.055 -9.866 1.00 0.00 C ATOM 1170 C ASP B 78 -2.279 -4.525 -9.476 1.00 0.00 C ATOM 1171 O ASP B 78 -1.341 -4.604 -10.258 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.519 -3.903 -10.376 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.606 -4.360 -11.326 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.291 -4.626 -12.507 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.781 -4.435 -10.909 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.141 -5.294 -8.408 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.532 -5.786 -10.665 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.976 -3.395 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.885 -3.174 -10.881 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.169 -3.989 -8.269 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.905 -3.461 -7.756 1.00 0.00 C ATOM 1182 C ILE B 79 0.214 -4.497 -7.829 1.00 0.00 C ATOM 1183 O ILE B 79 1.382 -4.165 -8.048 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.089 -2.970 -6.326 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.124 -1.864 -6.364 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.223 -2.476 -5.724 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.705 -0.641 -7.160 1.00 0.00 C ATOM 0 H ILE B 79 -2.949 -3.906 -7.616 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.611 -2.623 -8.388 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.422 -3.789 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.046 -2.260 -6.788 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.349 -1.558 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.049 -2.134 -4.704 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.949 -3.289 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.610 -1.651 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.504 0.100 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.801 -0.216 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.509 -0.929 -8.193 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.165 -5.756 -7.671 1.00 0.00 N ATOM 1200 CA ASN B 80 0.776 -6.874 -7.768 1.00 0.00 C ATOM 1201 C ASN B 80 1.475 -6.913 -9.130 1.00 0.00 C ATOM 1202 O ASN B 80 2.627 -7.333 -9.227 1.00 0.00 O ATOM 1203 CB ASN B 80 0.059 -8.209 -7.543 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.498 -8.364 -6.142 1.00 0.00 C ATOM 1205 OD1 ASN B 80 0.067 -7.871 -5.170 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.619 -9.058 -6.030 1.00 0.00 N ATOM 0 H ASN B 80 -1.126 -6.036 -7.473 1.00 0.00 H new ATOM 0 HA ASN B 80 1.526 -6.721 -6.992 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.755 -8.302 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.754 -9.025 -7.742 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -2.042 -9.198 -5.113 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -2.060 -9.453 -6.861 1.00 0.00 H new ATOM 1213 N LYS B 81 0.791 -6.464 -10.183 1.00 0.00 N ATOM 1214 CA LYS B 81 1.340 -6.567 -11.535 1.00 0.00 C ATOM 1215 C LYS B 81 2.286 -5.406 -11.836 1.00 0.00 C ATOM 1216 O LYS B 81 2.935 -5.379 -12.878 1.00 0.00 O ATOM 1217 CB LYS B 81 0.227 -6.626 -12.596 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.433 -5.286 -12.899 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.235 -5.325 -14.195 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.255 -6.458 -14.213 1.00 0.00 C ATOM 1221 NZ LYS B 81 -3.275 -6.316 -13.142 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.131 -6.031 -10.128 1.00 0.00 H new ATOM 0 HA LYS B 81 1.904 -7.499 -11.579 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.644 -7.027 -13.519 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.539 -7.326 -12.262 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.090 -5.011 -12.074 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.332 -4.513 -12.969 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.750 -4.374 -14.329 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -0.553 -5.440 -15.038 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -2.751 -6.482 -15.183 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -1.739 -7.411 -14.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -4.078 -6.946 -13.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -2.854 -6.571 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -3.608 -5.331 -13.108 1.00 0.00 H new ATOM 1235 N LEU B 82 2.390 -4.469 -10.905 1.00 0.00 N ATOM 1236 CA LEU B 82 3.204 -3.270 -11.103 1.00 0.00 C ATOM 1237 C LEU B 82 4.682 -3.618 -11.093 1.00 0.00 C ATOM 1238 O LEU B 82 5.517 -2.833 -11.548 1.00 0.00 O ATOM 1239 CB LEU B 82 2.922 -2.243 -10.001 1.00 0.00 C ATOM 1240 CG LEU B 82 1.776 -1.261 -10.262 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.182 -0.232 -11.306 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.517 -1.987 -10.704 1.00 0.00 C ATOM 0 H LEU B 82 1.921 -4.513 -10.001 1.00 0.00 H new ATOM 0 HA LEU B 82 2.942 -2.844 -12.071 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.706 -2.782 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.832 -1.668 -9.829 1.00 0.00 H new ATOM 0 HG LEU B 82 1.560 -0.747 -9.325 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.355 0.457 -11.478 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.050 0.324 -10.951 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.432 -0.739 -12.238 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.278 -1.262 -10.881 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.718 -2.537 -11.623 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.206 -2.683 -9.925 1.00 0.00 H new ATOM 1254 N ASN B 83 4.979 -4.815 -10.594 1.00 0.00 N ATOM 1255 CA ASN B 83 6.346 -5.250 -10.334 1.00 0.00 C ATOM 1256 C ASN B 83 7.127 -4.126 -9.660 1.00 0.00 C ATOM 1257 O ASN B 83 8.103 -3.598 -10.199 1.00 0.00 O ATOM 1258 CB ASN B 83 7.022 -5.708 -11.625 1.00 0.00 C ATOM 1259 CG ASN B 83 8.296 -6.494 -11.370 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.399 -5.944 -11.358 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.150 -7.792 -11.159 1.00 0.00 N ATOM 0 H ASN B 83 4.274 -5.513 -10.358 1.00 0.00 H new ATOM 0 HA ASN B 83 6.326 -6.105 -9.658 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.327 -6.324 -12.196 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.253 -4.837 -12.238 1.00 0.00 H new ATOM 0 HD21 ASN B 83 8.968 -8.374 -10.978 1.00 0.00 H new ATOM 0 HD22 ASN B 83 7.220 -8.210 -11.177 1.00 0.00 H new ATOM 1268 N ILE B 84 6.644 -3.754 -8.483 1.00 0.00 N ATOM 1269 CA ILE B 84 7.139 -2.603 -7.745 1.00 0.00 C ATOM 1270 C ILE B 84 8.624 -2.721 -7.399 1.00 0.00 C ATOM 1271 O ILE B 84 9.148 -3.814 -7.181 1.00 0.00 O ATOM 1272 CB ILE B 84 6.301 -2.436 -6.466 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.850 -2.215 -6.860 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.797 -1.274 -5.617 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.880 -2.398 -5.720 1.00 0.00 C ATOM 0 H ILE B 84 5.889 -4.249 -8.009 1.00 0.00 H new ATOM 0 HA ILE B 84 7.040 -1.724 -8.381 1.00 0.00 H new ATOM 0 HB ILE B 84 6.396 -3.340 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.741 -1.207 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.590 -2.907 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.180 -1.188 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.833 -1.451 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.733 -0.350 -6.192 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.864 -2.225 -6.075 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.961 -3.414 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.113 -1.688 -4.926 1.00 0.00 H new ATOM 1287 N LYS B 85 9.293 -1.581 -7.388 1.00 0.00 N ATOM 1288 CA LYS B 85 10.692 -1.500 -7.002 1.00 0.00 C ATOM 1289 C LYS B 85 10.835 -1.205 -5.515 1.00 0.00 C ATOM 1290 O LYS B 85 9.875 -1.305 -4.751 1.00 0.00 O ATOM 1291 CB LYS B 85 11.370 -0.398 -7.800 1.00 0.00 C ATOM 1292 CG LYS B 85 11.425 -0.680 -9.285 1.00 0.00 C ATOM 1293 CD LYS B 85 12.399 -1.801 -9.610 1.00 0.00 C ATOM 1294 CE LYS B 85 13.836 -1.409 -9.301 1.00 0.00 C ATOM 1295 NZ LYS B 85 14.765 -2.561 -9.432 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.881 -0.684 -7.647 1.00 0.00 H new ATOM 0 HA LYS B 85 11.163 -2.461 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.839 0.539 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.384 -0.260 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.430 -0.948 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS B 85 11.721 0.225 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS B 85 12.134 -2.690 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.313 -2.063 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS B 85 14.148 -0.612 -9.976 1.00 0.00 H new ATOM 0 HE3 LYS B 85 13.894 -1.009 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 15.734 -2.252 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 14.483 -3.312 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 14.730 -2.927 -10.405 1.00 0.00 H new ATOM 1309 N GLY B 86 12.038 -0.829 -5.110 1.00 0.00 N ATOM 1310 CA GLY B 86 12.276 -0.512 -3.719 1.00 0.00 C ATOM 1311 C GLY B 86 13.336 0.549 -3.533 1.00 0.00 C ATOM 1312 O GLY B 86 14.503 0.335 -3.863 1.00 0.00 O ATOM 0 H GLY B 86 12.852 -0.738 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.345 -0.173 -3.264 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.578 -1.417 -3.191 1.00 0.00 H new ATOM 1316 N MET B 87 12.923 1.706 -3.021 1.00 0.00 N ATOM 1317 CA MET B 87 13.824 2.782 -2.719 1.00 0.00 C ATOM 1318 C MET B 87 13.259 3.639 -1.584 1.00 0.00 C ATOM 1319 O MET B 87 13.779 3.623 -0.471 1.00 0.00 O ATOM 1320 CB MET B 87 14.034 3.616 -3.966 1.00 0.00 C ATOM 1321 CG MET B 87 14.473 5.025 -3.676 1.00 0.00 C ATOM 1322 SD MET B 87 16.215 5.144 -3.228 1.00 0.00 S ATOM 1323 CE MET B 87 16.398 6.916 -3.042 1.00 0.00 C ATOM 0 H MET B 87 11.947 1.911 -2.808 1.00 0.00 H new ATOM 0 HA MET B 87 14.783 2.379 -2.393 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.781 3.133 -4.595 1.00 0.00 H new ATOM 0 HB3 MET B 87 13.106 3.643 -4.537 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.286 5.645 -4.553 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.867 5.429 -2.865 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.426 7.148 -2.765 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.156 7.408 -3.984 1.00 0.00 H new ATOM 0 HE3 MET B 87 15.723 7.272 -2.264 1.00 0.00 H new ATOM 1333 N TYR B 88 12.173 4.367 -1.855 1.00 0.00 N ATOM 1334 CA TYR B 88 11.588 5.232 -0.851 1.00 0.00 C ATOM 1335 C TYR B 88 10.077 5.218 -0.977 1.00 0.00 C ATOM 1336 O TYR B 88 9.514 5.759 -1.928 1.00 0.00 O ATOM 1337 CB TYR B 88 12.113 6.662 -0.990 1.00 0.00 C ATOM 1338 CG TYR B 88 12.012 7.458 0.292 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.787 7.921 0.750 1.00 0.00 C ATOM 1340 CD2 TYR B 88 13.141 7.733 1.053 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.686 8.633 1.929 1.00 0.00 C ATOM 1342 CE2 TYR B 88 13.049 8.449 2.231 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.821 8.894 2.666 1.00 0.00 C ATOM 1344 OH TYR B 88 11.723 9.598 3.843 1.00 0.00 O ATOM 0 H TYR B 88 11.692 4.369 -2.754 1.00 0.00 H new ATOM 0 HA TYR B 88 11.871 4.859 0.133 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.154 6.631 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.554 7.174 -1.773 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.896 7.721 0.174 1.00 0.00 H new ATOM 0 HD2 TYR B 88 14.106 7.382 0.719 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.723 8.983 2.271 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.937 8.659 2.808 1.00 0.00 H new ATOM 0 HH TYR B 88 12.613 9.696 4.241 1.00 0.00 H new ATOM 1354 N ILE B 89 9.441 4.553 -0.040 1.00 0.00 N ATOM 1355 CA ILE B 89 7.991 4.493 0.020 1.00 0.00 C ATOM 1356 C ILE B 89 7.459 5.614 0.899 1.00 0.00 C ATOM 1357 O ILE B 89 7.942 5.819 2.015 1.00 0.00 O ATOM 1358 CB ILE B 89 7.515 3.137 0.583 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.171 1.988 -0.183 1.00 0.00 C ATOM 1360 CG2 ILE B 89 5.997 3.027 0.525 1.00 0.00 C ATOM 1361 CD1 ILE B 89 7.823 1.963 -1.646 1.00 0.00 C ATOM 0 H ILE B 89 9.911 4.037 0.704 1.00 0.00 H new ATOM 0 HA ILE B 89 7.608 4.606 -0.994 1.00 0.00 H new ATOM 0 HB ILE B 89 7.815 3.074 1.629 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.253 2.063 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.871 1.043 0.269 1.00 0.00 H new ATOM 0 HG21 ILE B 89 5.686 2.063 0.927 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.551 3.827 1.116 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.665 3.112 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE B 89 8.324 1.122 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE B 89 6.744 1.857 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.148 2.893 -2.113 1.00 0.00 H new ATOM 1373 N GLU B 90 6.485 6.352 0.394 1.00 0.00 N ATOM 1374 CA GLU B 90 5.874 7.419 1.169 1.00 0.00 C ATOM 1375 C GLU B 90 4.381 7.176 1.308 1.00 0.00 C ATOM 1376 O GLU B 90 3.815 6.316 0.628 1.00 0.00 O ATOM 1377 CB GLU B 90 6.113 8.786 0.530 1.00 0.00 C ATOM 1378 CG GLU B 90 7.483 8.928 -0.114 1.00 0.00 C ATOM 1379 CD GLU B 90 7.791 10.346 -0.537 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.247 10.802 -1.561 1.00 0.00 O ATOM 1381 OE2 GLU B 90 8.589 11.015 0.153 1.00 0.00 O1- ATOM 0 H GLU B 90 6.102 6.233 -0.544 1.00 0.00 H new ATOM 0 HA GLU B 90 6.339 7.418 2.155 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.346 8.964 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.997 9.558 1.291 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.245 8.590 0.588 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.539 8.274 -0.985 1.00 0.00 H new ATOM 1388 N ILE B 91 3.755 7.957 2.169 1.00 0.00 N ATOM 1389 CA ILE B 91 2.342 7.791 2.495 1.00 0.00 C ATOM 1390 C ILE B 91 1.705 9.145 2.784 1.00 0.00 C ATOM 1391 O ILE B 91 2.238 9.930 3.569 1.00 0.00 O ATOM 1392 CB ILE B 91 2.139 6.893 3.741 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.587 5.457 3.469 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.685 6.922 4.200 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.450 4.548 4.671 1.00 0.00 C ATOM 0 H ILE B 91 4.207 8.725 2.664 1.00 0.00 H new ATOM 0 HA ILE B 91 1.873 7.318 1.632 1.00 0.00 H new ATOM 0 HB ILE B 91 2.761 7.293 4.542 1.00 0.00 H new ATOM 0 HG12 ILE B 91 1.999 5.050 2.646 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.628 5.464 3.144 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.567 6.284 5.076 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.404 7.944 4.455 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.043 6.559 3.398 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.785 3.545 4.408 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.060 4.932 5.489 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.406 4.512 4.983 1.00 0.00 H new ATOM 1407 N LYS B 92 0.573 9.417 2.152 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.189 10.621 2.440 1.00 0.00 C ATOM 1409 C LYS B 92 -1.592 10.535 1.878 1.00 0.00 C ATOM 1410 O LYS B 92 -1.864 9.759 0.964 1.00 0.00 O ATOM 1411 CB LYS B 92 0.491 11.856 1.875 1.00 0.00 C ATOM 1412 CG LYS B 92 0.935 11.701 0.436 1.00 0.00 C ATOM 1413 CD LYS B 92 1.265 13.052 -0.174 1.00 0.00 C ATOM 1414 CE LYS B 92 1.848 12.921 -1.567 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.295 14.228 -2.112 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.162 8.819 1.435 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.241 10.704 3.526 1.00 0.00 H new ATOM 0 HB2 LYS B 92 -0.193 12.701 1.946 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.358 12.096 2.490 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.809 11.052 0.388 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.147 11.218 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS B 92 0.362 13.661 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS B 92 1.974 13.576 0.468 1.00 0.00 H new ATOM 0 HE2 LYS B 92 2.692 12.231 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS B 92 1.101 12.488 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 2.686 14.091 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 1.485 14.879 -2.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 3.027 14.631 -1.492 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.467 11.356 2.430 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.856 11.407 2.014 1.00 0.00 C ATOM 1431 C GLN B 93 -4.110 12.676 1.216 1.00 0.00 C ATOM 1432 O GLN B 93 -3.611 13.751 1.559 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.796 11.346 3.225 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.640 10.092 4.079 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.590 10.227 5.169 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -3.882 10.683 6.272 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -2.371 9.794 4.886 1.00 0.00 N ATOM 0 H GLN B 93 -2.234 12.007 3.180 1.00 0.00 H new ATOM 0 HA GLN B 93 -4.059 10.540 1.385 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.621 12.221 3.850 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.826 11.406 2.874 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -5.599 9.853 4.538 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.377 9.253 3.434 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.164 9.422 3.959 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -1.639 9.833 5.595 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.876 12.544 0.153 1.00 0.00 N ATOM 1447 CA ILE B 94 -5.132 13.647 -0.750 1.00 0.00 C ATOM 1448 C ILE B 94 -6.583 14.109 -0.653 1.00 0.00 C ATOM 1449 O ILE B 94 -7.362 13.869 -1.595 1.00 0.00 O ATOM 1450 CB ILE B 94 -4.789 13.245 -2.198 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -5.273 11.817 -2.471 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -3.290 13.353 -2.422 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.045 11.343 -3.891 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.941 14.711 0.380 1.00 0.00 O ATOM 0 H ILE B 94 -5.337 11.673 -0.109 1.00 0.00 H new ATOM 0 HA ILE B 94 -4.493 14.480 -0.458 1.00 0.00 H new ATOM 0 HB ILE B 94 -5.293 13.920 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.765 11.137 -1.787 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -6.338 11.758 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -3.054 13.068 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -2.969 14.380 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.770 12.689 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.416 10.324 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.576 11.997 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.979 11.366 -4.116 1.00 0.00 H new