USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=24 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 62 LYS NZ :NH3+ 158:sc= 0.139 (180deg=-0.234) USER MOD Set 1.2: B 65 THR OG1 : rot 151:sc= -0.977 USER MOD Set 2.1: B 59 ASN : amide:sc= -3.02! X(o=-3.1!,f=-3.2) USER MOD Set 2.2: B 87 MET CE :methyl 162:sc= -0.0696 (180deg=-0.494) USER MOD Set 3.1: B 42 ASN : amide:sc= 1.36 K(o=5.2,f=3.6) USER MOD Set 3.2: B 71 THR OG1 : rot -4:sc= 1.85 USER MOD Set 3.3: B 74 ASN : amide:sc= 2.02 K(o=5.2,f=3.6) USER MOD Set 4.1: B 32 ASN : amide:sc= 0.112 K(o=-1.1,f=-0.24) USER MOD Set 4.2: B 35 GLN : amide:sc= -1.24 K(o=-1.1,f=-0.24) USER MOD Set 5.1: B 12 SER OG : rot 180:sc= 0 USER MOD Set 5.2: B 17 ASN : amide:sc= -2.39 K(o=-2.4,f=0.33) USER MOD Set 5.3: B 31 MET CE :methyl -163:sc= 0 (180deg=-0.535) USER MOD Set 6.1: B 11 ASN : amide:sc= 0.592 K(o=1.8,f=-0.67!) USER MOD Set 6.2: B 15 SER OG : rot 84:sc= 1.26 USER MOD Single : B 10 MET CE :methyl -142:sc= -1.09 (180deg=-1.75) USER MOD Single : B 14 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : B 19 LYS NZ :NH3+ -115:sc= 1.19 (180deg=0.0838) USER MOD Single : B 21 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 22 LYS NZ :NH3+ 167:sc= -0.0346 (180deg=-0.249) USER MOD Single : B 24 LYS NZ :NH3+ -137:sc= 2 (180deg=-1.69!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 3:sc= -0.0273 USER MOD Single : B 34 ASN : amide:sc= -2.01 K(o=-2,f=-3.8!) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.454 USER MOD Single : B 40 SER OG : rot -161:sc= 1.27 USER MOD Single : B 41 SER OG : rot 180:sc=-0.000907 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot -172:sc= -0.273 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.448 K(o=-0.45,f=-4.3!) USER MOD Single : B 64 TYR OH : rot -67:sc= -1.17 USER MOD Single : B 67 ASN : amide:sc= 0.22 K(o=0.22,f=-3!) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot 180:sc= -0.889 USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 77 ASN : amide:sc= -0.0528 K(o=-0.053,f=-1.2!) USER MOD Single : B 80 ASN : amide:sc= -2.59! C(o=-2.6!,f=-4.4!) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 ASN : amide:sc= 0 X(o=0,f=0) 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+ 164:sc= 1.2 (180deg=0.841) USER MOD Single : B 93 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 11.674 0.580 5.387 1.00 0.00 N ATOM 145 CA MET B 10 10.688 1.634 5.179 1.00 0.00 C ATOM 146 C MET B 10 9.641 1.658 6.299 1.00 0.00 C ATOM 147 O MET B 10 9.806 1.036 7.348 1.00 0.00 O ATOM 148 CB MET B 10 9.993 1.453 3.823 1.00 0.00 C ATOM 149 CG MET B 10 10.938 1.428 2.630 1.00 0.00 C ATOM 150 SD MET B 10 12.006 2.878 2.523 1.00 0.00 S ATOM 151 CE MET B 10 10.810 4.209 2.573 1.00 0.00 C ATOM 0 HA MET B 10 11.218 2.586 5.191 1.00 0.00 H new ATOM 0 HB2 MET B 10 9.425 0.523 3.841 1.00 0.00 H new ATOM 0 HB3 MET B 10 9.275 2.262 3.686 1.00 0.00 H new ATOM 0 HG2 MET B 10 11.559 0.534 2.688 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.352 1.351 1.714 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.124 5.006 1.899 1.00 0.00 H new ATOM 0 HE2 MET B 10 9.835 3.834 2.263 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.742 4.599 3.589 1.00 0.00 H new ATOM 161 N ASN B 11 8.548 2.365 6.047 1.00 0.00 N ATOM 162 CA ASN B 11 7.511 2.584 7.030 1.00 0.00 C ATOM 163 C ASN B 11 6.251 1.805 6.661 1.00 0.00 C ATOM 164 O ASN B 11 5.391 1.542 7.502 1.00 0.00 O ATOM 165 CB ASN B 11 7.193 4.077 7.109 1.00 0.00 C ATOM 166 CG ASN B 11 6.411 4.481 8.354 1.00 0.00 C ATOM 167 OD1 ASN B 11 5.634 3.707 8.910 1.00 0.00 O ATOM 168 ND2 ASN B 11 6.605 5.714 8.790 1.00 0.00 N ATOM 0 H ASN B 11 8.360 2.804 5.146 1.00 0.00 H new ATOM 0 HA ASN B 11 7.863 2.233 8.000 1.00 0.00 H new ATOM 0 HB2 ASN B 11 8.127 4.639 7.081 1.00 0.00 H new ATOM 0 HB3 ASN B 11 6.622 4.363 6.226 1.00 0.00 H new ATOM 0 HD21 ASN B 11 6.102 6.049 9.612 1.00 0.00 H new ATOM 0 HD22 ASN B 11 7.257 6.330 8.305 1.00 0.00 H new ATOM 175 N SER B 12 6.169 1.411 5.396 1.00 0.00 N ATOM 176 CA SER B 12 5.010 0.691 4.868 1.00 0.00 C ATOM 177 C SER B 12 4.818 -0.605 5.639 1.00 0.00 C ATOM 178 O SER B 12 3.726 -1.171 5.696 1.00 0.00 O ATOM 179 CB SER B 12 5.212 0.410 3.372 1.00 0.00 C ATOM 180 OG SER B 12 4.077 -0.218 2.805 1.00 0.00 O ATOM 0 H SER B 12 6.901 1.580 4.706 1.00 0.00 H new ATOM 0 HA SER B 12 4.115 1.301 4.987 1.00 0.00 H new ATOM 0 HB2 SER B 12 5.411 1.345 2.849 1.00 0.00 H new ATOM 0 HB3 SER B 12 6.087 -0.225 3.235 1.00 0.00 H new ATOM 0 HG SER B 12 4.236 -0.382 1.852 1.00 0.00 H new ATOM 186 N ILE B 13 5.903 -1.025 6.264 1.00 0.00 N ATOM 187 CA ILE B 13 5.956 -2.216 7.063 1.00 0.00 C ATOM 188 C ILE B 13 4.997 -2.105 8.246 1.00 0.00 C ATOM 189 O ILE B 13 4.399 -3.085 8.690 1.00 0.00 O ATOM 190 CB ILE B 13 7.389 -2.410 7.611 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.438 -2.576 6.498 1.00 0.00 C ATOM 192 CG2 ILE B 13 7.441 -3.612 8.538 1.00 0.00 C ATOM 193 CD1 ILE B 13 8.626 -1.406 5.557 1.00 0.00 C ATOM 0 H ILE B 13 6.792 -0.526 6.223 1.00 0.00 H new ATOM 0 HA ILE B 13 5.671 -3.063 6.439 1.00 0.00 H new ATOM 0 HB ILE B 13 7.636 -1.501 8.160 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.398 -2.793 6.966 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.168 -3.449 5.904 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.456 -3.736 8.916 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.759 -3.457 9.374 1.00 0.00 H new ATOM 0 HG23 ILE B 13 7.146 -4.507 7.990 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.392 -1.651 4.821 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.686 -1.195 5.047 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.936 -0.529 6.125 1.00 0.00 H new ATOM 205 N ASN B 14 4.869 -0.893 8.751 1.00 0.00 N ATOM 206 CA ASN B 14 4.106 -0.638 9.950 1.00 0.00 C ATOM 207 C ASN B 14 2.792 0.051 9.615 1.00 0.00 C ATOM 208 O ASN B 14 1.715 -0.505 9.827 1.00 0.00 O ATOM 209 CB ASN B 14 4.928 0.237 10.898 1.00 0.00 C ATOM 210 CG ASN B 14 6.284 -0.365 11.210 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.439 -1.113 12.174 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.279 -0.034 10.400 1.00 0.00 N ATOM 0 H ASN B 14 5.292 -0.061 8.340 1.00 0.00 H new ATOM 0 HA ASN B 14 3.880 -1.589 10.433 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.065 1.222 10.452 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.375 0.381 11.826 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.215 -0.403 10.565 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.108 0.590 9.611 1.00 0.00 H new ATOM 219 N SER B 15 2.898 1.252 9.058 1.00 0.00 N ATOM 220 CA SER B 15 1.745 2.103 8.826 1.00 0.00 C ATOM 221 C SER B 15 0.784 1.519 7.790 1.00 0.00 C ATOM 222 O SER B 15 -0.369 1.261 8.110 1.00 0.00 O ATOM 223 CB SER B 15 2.208 3.501 8.415 1.00 0.00 C ATOM 224 OG SER B 15 3.026 4.076 9.426 1.00 0.00 O ATOM 0 H SER B 15 3.784 1.659 8.757 1.00 0.00 H new ATOM 0 HA SER B 15 1.188 2.167 9.761 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.763 3.445 7.479 1.00 0.00 H new ATOM 0 HB3 SER B 15 1.342 4.138 8.235 1.00 0.00 H new ATOM 0 HG SER B 15 3.949 3.764 9.317 1.00 0.00 H new ATOM 230 N VAL B 16 1.257 1.297 6.561 1.00 0.00 N ATOM 231 CA VAL B 16 0.392 0.796 5.484 1.00 0.00 C ATOM 232 C VAL B 16 -0.290 -0.509 5.881 1.00 0.00 C ATOM 233 O VAL B 16 -1.500 -0.671 5.705 1.00 0.00 O ATOM 234 CB VAL B 16 1.175 0.584 4.170 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.320 -0.121 3.125 1.00 0.00 C ATOM 236 CG2 VAL B 16 1.672 1.912 3.628 1.00 0.00 C ATOM 0 H VAL B 16 2.227 1.454 6.286 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.368 1.560 5.317 1.00 0.00 H new ATOM 0 HB VAL B 16 2.032 -0.051 4.392 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.899 -0.256 2.212 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.010 -1.094 3.505 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.562 0.482 2.910 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.222 1.744 2.702 1.00 0.00 H new ATOM 0 HG22 VAL B 16 0.822 2.566 3.432 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.329 2.381 4.360 1.00 0.00 H new ATOM 246 N ASN B 17 0.498 -1.420 6.440 1.00 0.00 N ATOM 247 CA ASN B 17 0.012 -2.713 6.882 1.00 0.00 C ATOM 248 C ASN B 17 -1.131 -2.575 7.875 1.00 0.00 C ATOM 249 O ASN B 17 -2.151 -3.253 7.763 1.00 0.00 O ATOM 250 CB ASN B 17 1.163 -3.473 7.524 1.00 0.00 C ATOM 251 CG ASN B 17 1.927 -4.341 6.543 1.00 0.00 C ATOM 252 OD1 ASN B 17 3.156 -4.372 6.538 1.00 0.00 O ATOM 253 ND2 ASN B 17 1.204 -5.096 5.744 1.00 0.00 N ATOM 0 H ASN B 17 1.496 -1.278 6.598 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.370 -3.255 6.017 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.850 -2.761 7.981 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.773 -4.099 8.326 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.662 -5.734 5.093 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.186 -5.044 5.776 1.00 0.00 H new ATOM 260 N ASP B 18 -0.946 -1.696 8.844 1.00 0.00 N ATOM 261 CA ASP B 18 -1.945 -1.467 9.882 1.00 0.00 C ATOM 262 C ASP B 18 -3.134 -0.671 9.357 1.00 0.00 C ATOM 263 O ASP B 18 -4.283 -0.991 9.652 1.00 0.00 O ATOM 264 CB ASP B 18 -1.317 -0.729 11.061 1.00 0.00 C ATOM 265 CG ASP B 18 -1.329 -1.545 12.337 1.00 0.00 C ATOM 266 OD1 ASP B 18 -2.314 -1.448 13.096 1.00 0.00 O ATOM 267 OD2 ASP B 18 -0.348 -2.275 12.596 1.00 0.00 O1- ATOM 0 H ASP B 18 -0.107 -1.123 8.937 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.308 -2.442 10.208 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.289 -0.466 10.813 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.854 0.205 11.227 1.00 0.00 H new ATOM 272 N LYS B 19 -2.847 0.355 8.571 1.00 0.00 N ATOM 273 CA LYS B 19 -3.837 1.262 8.059 1.00 0.00 C ATOM 274 C LYS B 19 -4.854 0.553 7.170 1.00 0.00 C ATOM 275 O LYS B 19 -6.061 0.756 7.301 1.00 0.00 O ATOM 276 CB LYS B 19 -3.076 2.317 7.282 1.00 0.00 C ATOM 277 CG LYS B 19 -3.874 3.056 6.258 1.00 0.00 C ATOM 278 CD LYS B 19 -4.981 3.883 6.885 1.00 0.00 C ATOM 279 CE LYS B 19 -5.805 4.593 5.828 1.00 0.00 C ATOM 280 NZ LYS B 19 -5.052 5.703 5.185 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.898 0.576 8.271 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.414 1.702 8.872 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -2.665 3.038 7.988 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.231 1.840 6.785 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.214 3.708 5.686 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -4.307 2.345 5.554 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -5.627 3.238 7.480 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.549 4.617 7.566 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -6.113 3.876 5.067 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -6.714 4.987 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -5.509 6.609 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.074 5.710 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.046 5.567 4.154 1.00 0.00 H new ATOM 294 N LEU B 20 -4.365 -0.257 6.254 1.00 0.00 N ATOM 295 CA LEU B 20 -5.239 -0.971 5.344 1.00 0.00 C ATOM 296 C LEU B 20 -5.933 -2.147 6.030 1.00 0.00 C ATOM 297 O LEU B 20 -6.965 -2.624 5.561 1.00 0.00 O ATOM 298 CB LEU B 20 -4.467 -1.444 4.116 1.00 0.00 C ATOM 299 CG LEU B 20 -3.943 -0.328 3.213 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.268 -0.906 1.980 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.073 0.607 2.817 1.00 0.00 C ATOM 0 H LEU B 20 -3.370 -0.438 6.119 1.00 0.00 H new ATOM 0 HA LEU B 20 -6.014 -0.276 5.022 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.623 -2.049 4.447 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.114 -2.094 3.527 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.200 0.244 3.769 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.902 -0.094 1.351 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.431 -1.534 2.284 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.986 -1.504 1.419 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.684 1.396 2.174 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.838 0.046 2.280 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.509 1.050 3.712 1.00 0.00 H new ATOM 313 N ASN B 21 -5.382 -2.592 7.149 1.00 0.00 N ATOM 314 CA ASN B 21 -5.939 -3.723 7.878 1.00 0.00 C ATOM 315 C ASN B 21 -6.681 -3.239 9.121 1.00 0.00 C ATOM 316 O ASN B 21 -6.153 -3.285 10.234 1.00 0.00 O ATOM 317 CB ASN B 21 -4.828 -4.695 8.279 1.00 0.00 C ATOM 318 CG ASN B 21 -5.361 -6.003 8.828 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.402 -6.498 8.394 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.652 -6.574 9.789 1.00 0.00 N ATOM 0 H ASN B 21 -4.548 -2.187 7.573 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.643 -4.241 7.227 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.200 -4.899 7.412 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.193 -4.224 9.029 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.963 -7.456 10.197 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.795 -6.132 10.121 1.00 0.00 H new ATOM 327 N LYS B 22 -7.899 -2.756 8.925 1.00 0.00 N ATOM 328 CA LYS B 22 -8.702 -2.226 10.026 1.00 0.00 C ATOM 329 C LYS B 22 -10.106 -2.821 10.033 1.00 0.00 C ATOM 330 O LYS B 22 -11.021 -2.258 10.631 1.00 0.00 O ATOM 331 CB LYS B 22 -8.792 -0.703 9.944 1.00 0.00 C ATOM 332 CG LYS B 22 -7.453 -0.004 10.095 1.00 0.00 C ATOM 333 CD LYS B 22 -7.597 1.511 10.060 1.00 0.00 C ATOM 334 CE LYS B 22 -8.387 2.031 11.250 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.725 1.713 12.544 1.00 0.00 N1+ ATOM 0 H LYS B 22 -8.357 -2.719 8.014 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.204 -2.508 10.954 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -9.231 -0.425 8.986 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -9.468 -0.345 10.720 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.991 -0.303 11.036 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -6.784 -0.324 9.296 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -6.608 1.970 10.052 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -8.094 1.808 9.136 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -8.507 3.111 11.161 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -9.387 1.597 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -8.168 2.265 13.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -7.828 0.698 12.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.715 1.953 12.485 1.00 0.00 H new ATOM 349 N GLY B 23 -10.269 -3.956 9.373 1.00 0.00 N ATOM 350 CA GLY B 23 -11.571 -4.597 9.317 1.00 0.00 C ATOM 351 C GLY B 23 -12.268 -4.372 7.992 1.00 0.00 C ATOM 352 O GLY B 23 -13.494 -4.422 7.906 1.00 0.00 O ATOM 0 H GLY B 23 -9.526 -4.447 8.875 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.454 -5.667 9.486 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.197 -4.214 10.123 1.00 0.00 H new ATOM 356 N LYS B 24 -11.480 -4.135 6.956 1.00 0.00 N ATOM 357 CA LYS B 24 -12.008 -3.881 5.624 1.00 0.00 C ATOM 358 C LYS B 24 -11.951 -5.162 4.807 1.00 0.00 C ATOM 359 O LYS B 24 -12.235 -6.252 5.311 1.00 0.00 O ATOM 360 CB LYS B 24 -11.179 -2.795 4.927 1.00 0.00 C ATOM 361 CG LYS B 24 -10.640 -1.745 5.879 1.00 0.00 C ATOM 362 CD LYS B 24 -9.779 -0.715 5.171 1.00 0.00 C ATOM 363 CE LYS B 24 -9.072 0.181 6.175 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.216 1.200 5.516 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.462 -4.113 7.013 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.041 -3.542 5.708 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -10.345 -3.264 4.405 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.795 -2.308 4.171 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -11.472 -1.243 6.372 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.054 -2.231 6.659 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -9.043 -1.219 4.545 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -10.399 -0.109 4.510 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -9.814 0.681 6.798 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -8.460 -0.431 6.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -7.308 1.269 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -8.044 0.923 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -8.695 2.123 5.538 1.00 0.00 H new ATOM 378 N GLY B 25 -11.591 -5.025 3.541 1.00 0.00 N ATOM 379 CA GLY B 25 -11.355 -6.185 2.713 1.00 0.00 C ATOM 380 C GLY B 25 -10.161 -6.967 3.205 1.00 0.00 C ATOM 381 O GLY B 25 -9.189 -6.374 3.677 1.00 0.00 O ATOM 0 H GLY B 25 -11.458 -4.129 3.072 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.238 -6.824 2.715 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.190 -5.873 1.682 1.00 0.00 H new ATOM 385 N LYS B 26 -10.233 -8.291 3.130 1.00 0.00 N ATOM 386 CA LYS B 26 -9.107 -9.121 3.519 1.00 0.00 C ATOM 387 C LYS B 26 -7.935 -8.796 2.614 1.00 0.00 C ATOM 388 O LYS B 26 -8.101 -8.707 1.401 1.00 0.00 O ATOM 389 CB LYS B 26 -9.439 -10.608 3.398 1.00 0.00 C ATOM 390 CG LYS B 26 -10.740 -11.023 4.064 1.00 0.00 C ATOM 391 CD LYS B 26 -10.904 -12.533 4.026 1.00 0.00 C ATOM 392 CE LYS B 26 -12.347 -12.957 4.246 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.838 -12.615 5.609 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.052 -8.806 2.806 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.864 -8.915 4.561 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.487 -10.871 2.341 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -8.623 -11.185 3.833 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.752 -10.677 5.097 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.581 -10.548 3.559 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.558 -12.911 3.064 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.273 -12.985 4.791 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.982 -12.475 3.503 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.435 -14.032 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.826 -12.924 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.251 -13.095 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.781 -11.586 5.751 1.00 0.00 H new ATOM 407 N LEU B 27 -6.773 -8.592 3.196 1.00 0.00 N ATOM 408 CA LEU B 27 -5.626 -8.174 2.455 1.00 0.00 C ATOM 409 C LEU B 27 -4.362 -8.658 3.158 1.00 0.00 C ATOM 410 O LEU B 27 -3.978 -8.131 4.204 1.00 0.00 O ATOM 411 CB LEU B 27 -5.645 -6.655 2.355 1.00 0.00 C ATOM 412 CG LEU B 27 -4.360 -6.059 1.846 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.222 -6.285 0.350 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.276 -4.582 2.190 1.00 0.00 C ATOM 0 H LEU B 27 -6.608 -8.714 4.195 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.640 -8.600 1.452 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.459 -6.355 1.695 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.862 -6.239 3.339 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.528 -6.562 2.340 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.287 -5.847 0.001 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.222 -7.355 0.142 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.058 -5.815 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.339 -4.173 1.812 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.113 -4.054 1.733 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.316 -4.458 3.272 1.00 0.00 H new ATOM 426 N SER B 28 -3.746 -9.688 2.603 1.00 0.00 N ATOM 427 CA SER B 28 -2.529 -10.250 3.167 1.00 0.00 C ATOM 428 C SER B 28 -1.319 -9.806 2.349 1.00 0.00 C ATOM 429 O SER B 28 -1.150 -10.227 1.202 1.00 0.00 O ATOM 430 CB SER B 28 -2.630 -11.776 3.188 1.00 0.00 C ATOM 431 OG SER B 28 -3.805 -12.195 3.866 1.00 0.00 O ATOM 0 H SER B 28 -4.071 -10.155 1.757 1.00 0.00 H new ATOM 0 HA SER B 28 -2.405 -9.890 4.188 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.638 -12.158 2.167 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.752 -12.196 3.679 1.00 0.00 H new ATOM 0 HG SER B 28 -3.851 -13.174 3.866 1.00 0.00 H new ATOM 437 N LEU B 29 -0.482 -8.960 2.938 1.00 0.00 N ATOM 438 CA LEU B 29 0.634 -8.362 2.213 1.00 0.00 C ATOM 439 C LEU B 29 1.900 -9.200 2.328 1.00 0.00 C ATOM 440 O LEU B 29 2.116 -9.917 3.306 1.00 0.00 O ATOM 441 CB LEU B 29 0.956 -6.950 2.722 1.00 0.00 C ATOM 442 CG LEU B 29 -0.134 -5.885 2.578 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.713 -5.881 1.175 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.215 -6.088 3.614 1.00 0.00 C ATOM 0 H LEU B 29 -0.554 -8.673 3.914 1.00 0.00 H new ATOM 0 HA LEU B 29 0.316 -8.315 1.172 1.00 0.00 H new ATOM 0 HB2 LEU B 29 1.218 -7.024 3.778 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.844 -6.597 2.197 1.00 0.00 H new ATOM 0 HG LEU B 29 0.320 -4.909 2.749 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.485 -5.115 1.102 1.00 0.00 H new ATOM 0 HD12 LEU B 29 0.078 -5.669 0.456 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.149 -6.856 0.958 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.981 -5.321 3.496 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.664 -7.073 3.483 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.781 -6.017 4.611 1.00 0.00 H new ATOM 456 N SER B 30 2.730 -9.068 1.318 1.00 0.00 N ATOM 457 CA SER B 30 4.045 -9.662 1.275 1.00 0.00 C ATOM 458 C SER B 30 4.972 -8.719 0.519 1.00 0.00 C ATOM 459 O SER B 30 4.531 -8.024 -0.400 1.00 0.00 O ATOM 460 CB SER B 30 3.986 -11.024 0.593 1.00 0.00 C ATOM 461 OG SER B 30 3.080 -11.011 -0.502 1.00 0.00 O ATOM 0 H SER B 30 2.502 -8.530 0.482 1.00 0.00 H new ATOM 0 HA SER B 30 4.422 -9.814 2.286 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.980 -11.302 0.243 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.679 -11.782 1.314 1.00 0.00 H new ATOM 0 HG SER B 30 2.720 -10.107 -0.618 1.00 0.00 H new ATOM 467 N MET B 31 6.237 -8.681 0.895 1.00 0.00 N ATOM 468 CA MET B 31 7.151 -7.692 0.343 1.00 0.00 C ATOM 469 C MET B 31 8.355 -8.336 -0.333 1.00 0.00 C ATOM 470 O MET B 31 8.902 -9.331 0.140 1.00 0.00 O ATOM 471 CB MET B 31 7.621 -6.728 1.434 1.00 0.00 C ATOM 472 CG MET B 31 6.489 -5.935 2.065 1.00 0.00 C ATOM 473 SD MET B 31 7.076 -4.657 3.196 1.00 0.00 S ATOM 474 CE MET B 31 5.524 -3.890 3.657 1.00 0.00 C ATOM 0 H MET B 31 6.655 -9.317 1.575 1.00 0.00 H new ATOM 0 HA MET B 31 6.601 -7.138 -0.418 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.136 -7.293 2.211 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.347 -6.035 1.009 1.00 0.00 H new ATOM 0 HG2 MET B 31 5.893 -5.472 1.278 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.831 -6.616 2.604 1.00 0.00 H new ATOM 0 HE1 MET B 31 5.718 -2.913 4.100 1.00 0.00 H new ATOM 0 HE2 MET B 31 4.901 -3.769 2.771 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.008 -4.520 4.381 1.00 0.00 H new ATOM 484 N ASN B 32 8.744 -7.751 -1.452 1.00 0.00 N ATOM 485 CA ASN B 32 9.951 -8.143 -2.169 1.00 0.00 C ATOM 486 C ASN B 32 10.751 -6.886 -2.462 1.00 0.00 C ATOM 487 O ASN B 32 10.414 -6.136 -3.374 1.00 0.00 O ATOM 488 CB ASN B 32 9.592 -8.858 -3.476 1.00 0.00 C ATOM 489 CG ASN B 32 10.814 -9.358 -4.226 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.258 -10.487 -4.022 1.00 0.00 O ATOM 491 ND2 ASN B 32 11.358 -8.532 -5.109 1.00 0.00 N ATOM 0 H ASN B 32 8.232 -6.987 -1.893 1.00 0.00 H new ATOM 0 HA ASN B 32 10.537 -8.833 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.936 -9.700 -3.256 1.00 0.00 H new ATOM 0 HB3 ASN B 32 9.032 -8.176 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN B 32 12.173 -8.826 -5.647 1.00 0.00 H new ATOM 0 HD22 ASN B 32 10.961 -7.603 -5.250 1.00 0.00 H new ATOM 498 N GLY B 33 11.787 -6.632 -1.683 1.00 0.00 N ATOM 499 CA GLY B 33 12.405 -5.324 -1.727 1.00 0.00 C ATOM 500 C GLY B 33 11.502 -4.329 -1.048 1.00 0.00 C ATOM 501 O GLY B 33 11.445 -4.269 0.181 1.00 0.00 O ATOM 0 H GLY B 33 12.207 -7.294 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY B 33 13.376 -5.350 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.582 -5.027 -2.761 1.00 0.00 H new ATOM 505 N ASN B 34 10.761 -3.584 -1.845 1.00 0.00 N ATOM 506 CA ASN B 34 9.715 -2.721 -1.326 1.00 0.00 C ATOM 507 C ASN B 34 8.428 -2.951 -2.102 1.00 0.00 C ATOM 508 O ASN B 34 7.531 -2.111 -2.097 1.00 0.00 O ATOM 509 CB ASN B 34 10.105 -1.245 -1.408 1.00 0.00 C ATOM 510 CG ASN B 34 11.237 -0.851 -0.485 1.00 0.00 C ATOM 511 OD1 ASN B 34 12.055 0.008 -0.816 1.00 0.00 O ATOM 512 ND2 ASN B 34 11.270 -1.436 0.692 1.00 0.00 N ATOM 0 H ASN B 34 10.864 -3.558 -2.859 1.00 0.00 H new ATOM 0 HA ASN B 34 9.568 -2.972 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.390 -1.012 -2.434 1.00 0.00 H new ATOM 0 HB3 ASN B 34 9.232 -0.636 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN B 34 11.991 -1.182 1.368 1.00 0.00 H new ATOM 0 HD22 ASN B 34 10.575 -2.143 0.930 1.00 0.00 H new ATOM 519 N GLN B 35 8.346 -4.096 -2.782 1.00 0.00 N ATOM 520 CA GLN B 35 7.151 -4.434 -3.542 1.00 0.00 C ATOM 521 C GLN B 35 5.996 -4.734 -2.616 1.00 0.00 C ATOM 522 O GLN B 35 6.186 -5.138 -1.467 1.00 0.00 O ATOM 523 CB GLN B 35 7.358 -5.657 -4.434 1.00 0.00 C ATOM 524 CG GLN B 35 8.437 -5.499 -5.484 1.00 0.00 C ATOM 525 CD GLN B 35 8.545 -6.709 -6.395 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.627 -7.046 -6.873 1.00 0.00 O ATOM 527 NE2 GLN B 35 7.424 -7.360 -6.661 1.00 0.00 N ATOM 0 H GLN B 35 9.087 -4.796 -2.820 1.00 0.00 H new ATOM 0 HA GLN B 35 6.934 -3.567 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.605 -6.511 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.417 -5.890 -4.932 1.00 0.00 H new ATOM 0 HG2 GLN B 35 8.228 -4.614 -6.085 1.00 0.00 H new ATOM 0 HG3 GLN B 35 9.396 -5.332 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN B 35 6.545 -7.052 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN B 35 7.439 -8.170 -7.281 1.00 0.00 H new ATOM 536 N LEU B 36 4.805 -4.566 -3.140 1.00 0.00 N ATOM 537 CA LEU B 36 3.605 -4.905 -2.418 1.00 0.00 C ATOM 538 C LEU B 36 2.867 -5.990 -3.177 1.00 0.00 C ATOM 539 O LEU B 36 2.304 -5.748 -4.244 1.00 0.00 O ATOM 540 CB LEU B 36 2.705 -3.690 -2.255 1.00 0.00 C ATOM 541 CG LEU B 36 1.643 -3.812 -1.163 1.00 0.00 C ATOM 542 CD1 LEU B 36 2.292 -3.884 0.212 1.00 0.00 C ATOM 543 CD2 LEU B 36 0.667 -2.648 -1.235 1.00 0.00 C ATOM 0 H LEU B 36 4.642 -4.192 -4.075 1.00 0.00 H new ATOM 0 HA LEU B 36 3.878 -5.259 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.328 -2.822 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.207 -3.496 -3.205 1.00 0.00 H new ATOM 0 HG LEU B 36 1.088 -4.736 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.519 -3.971 0.975 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.948 -4.753 0.260 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.875 -2.980 0.387 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.082 -2.752 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.207 -1.711 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.175 -2.645 -2.208 1.00 0.00 H new ATOM 555 N LYS B 37 2.925 -7.185 -2.642 1.00 0.00 N ATOM 556 CA LYS B 37 2.221 -8.321 -3.207 1.00 0.00 C ATOM 557 C LYS B 37 1.192 -8.772 -2.191 1.00 0.00 C ATOM 558 O LYS B 37 1.478 -8.785 -0.994 1.00 0.00 O ATOM 559 CB LYS B 37 3.193 -9.459 -3.530 1.00 0.00 C ATOM 560 CG LYS B 37 4.554 -8.978 -4.032 1.00 0.00 C ATOM 561 CD LYS B 37 5.432 -10.119 -4.518 1.00 0.00 C ATOM 562 CE LYS B 37 5.706 -11.143 -3.425 1.00 0.00 C ATOM 563 NZ LYS B 37 6.563 -12.257 -3.914 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.461 -7.402 -1.802 1.00 0.00 H new ATOM 0 HA LYS B 37 1.736 -8.037 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS B 37 3.339 -10.066 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS B 37 2.745 -10.105 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS B 37 4.407 -8.266 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS B 37 5.066 -8.446 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS B 37 4.949 -10.612 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.378 -9.717 -4.882 1.00 0.00 H new ATOM 0 HE2 LYS B 37 6.193 -10.653 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS B 37 4.761 -11.545 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 6.727 -12.934 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.087 -12.741 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 7.474 -11.876 -4.240 1.00 0.00 H new ATOM 577 N ALA B 38 0.010 -9.137 -2.637 1.00 0.00 N ATOM 578 CA ALA B 38 -1.086 -9.342 -1.706 1.00 0.00 C ATOM 579 C ALA B 38 -2.168 -10.269 -2.233 1.00 0.00 C ATOM 580 O ALA B 38 -2.409 -10.357 -3.440 1.00 0.00 O ATOM 581 CB ALA B 38 -1.701 -8.003 -1.351 1.00 0.00 C ATOM 0 H ALA B 38 -0.218 -9.296 -3.618 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.662 -9.826 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.524 -8.154 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.946 -7.367 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.076 -7.524 -2.255 1.00 0.00 H new ATOM 587 N THR B 39 -2.816 -10.946 -1.299 1.00 0.00 N ATOM 588 CA THR B 39 -4.006 -11.725 -1.573 1.00 0.00 C ATOM 589 C THR B 39 -5.171 -11.099 -0.821 1.00 0.00 C ATOM 590 O THR B 39 -4.994 -10.617 0.302 1.00 0.00 O ATOM 591 CB THR B 39 -3.821 -13.185 -1.134 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.193 -13.227 0.157 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.981 -13.959 -2.140 1.00 0.00 C ATOM 0 H THR B 39 -2.526 -10.969 -0.321 1.00 0.00 H new ATOM 0 HA THR B 39 -4.201 -11.723 -2.645 1.00 0.00 H new ATOM 0 HB THR B 39 -4.804 -13.652 -1.080 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.078 -14.160 0.435 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.867 -14.989 -1.803 1.00 0.00 H new ATOM 0 HG22 THR B 39 -3.475 -13.948 -3.112 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.999 -13.495 -2.227 1.00 0.00 H new ATOM 601 N SER B 40 -6.346 -11.085 -1.418 1.00 0.00 N ATOM 602 CA SER B 40 -7.449 -10.334 -0.849 1.00 0.00 C ATOM 603 C SER B 40 -8.775 -11.086 -0.912 1.00 0.00 C ATOM 604 O SER B 40 -8.867 -12.169 -1.494 1.00 0.00 O ATOM 605 CB SER B 40 -7.566 -8.997 -1.576 1.00 0.00 C ATOM 606 OG SER B 40 -7.633 -9.177 -2.982 1.00 0.00 O ATOM 0 H SER B 40 -6.561 -11.577 -2.285 1.00 0.00 H new ATOM 0 HA SER B 40 -7.234 -10.178 0.208 1.00 0.00 H new ATOM 0 HB2 SER B 40 -8.456 -8.471 -1.232 1.00 0.00 H new ATOM 0 HB3 SER B 40 -6.709 -8.370 -1.328 1.00 0.00 H new ATOM 0 HG SER B 40 -7.413 -8.334 -3.431 1.00 0.00 H new ATOM 612 N SER B 41 -9.790 -10.507 -0.277 1.00 0.00 N ATOM 613 CA SER B 41 -11.150 -11.024 -0.338 1.00 0.00 C ATOM 614 C SER B 41 -12.142 -9.898 -0.071 1.00 0.00 C ATOM 615 O SER B 41 -11.796 -8.882 0.537 1.00 0.00 O ATOM 616 CB SER B 41 -11.346 -12.147 0.673 1.00 0.00 C ATOM 617 OG SER B 41 -12.630 -12.736 0.554 1.00 0.00 O ATOM 0 H SER B 41 -9.691 -9.667 0.293 1.00 0.00 H new ATOM 0 HA SER B 41 -11.325 -11.428 -1.335 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.580 -12.909 0.525 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.216 -11.756 1.682 1.00 0.00 H new ATOM 0 HG SER B 41 -12.723 -13.454 1.215 1.00 0.00 H new ATOM 623 N ASN B 42 -13.371 -10.095 -0.513 1.00 0.00 N ATOM 624 CA ASN B 42 -14.397 -9.065 -0.443 1.00 0.00 C ATOM 625 C ASN B 42 -15.534 -9.498 0.465 1.00 0.00 C ATOM 626 O ASN B 42 -16.679 -9.089 0.282 1.00 0.00 O ATOM 627 CB ASN B 42 -14.940 -8.727 -1.835 1.00 0.00 C ATOM 628 CG ASN B 42 -13.937 -7.979 -2.691 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.854 -6.753 -2.643 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.172 -8.712 -3.486 1.00 0.00 N ATOM 0 H ASN B 42 -13.688 -10.970 -0.930 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.935 -8.170 -0.027 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.227 -9.648 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.843 -8.125 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.483 -8.261 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.272 -9.727 -3.496 1.00 0.00 H new ATOM 637 N ALA B 43 -15.214 -10.336 1.441 1.00 0.00 N ATOM 638 CA ALA B 43 -16.216 -10.839 2.378 1.00 0.00 C ATOM 639 C ALA B 43 -16.801 -9.719 3.233 1.00 0.00 C ATOM 640 O ALA B 43 -17.865 -9.866 3.831 1.00 0.00 O ATOM 641 CB ALA B 43 -15.619 -11.920 3.260 1.00 0.00 C ATOM 0 H ALA B 43 -14.269 -10.683 1.607 1.00 0.00 H new ATOM 0 HA ALA B 43 -17.030 -11.267 1.793 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -16.378 -12.285 3.953 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -15.269 -12.744 2.639 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -14.781 -11.509 3.823 1.00 0.00 H new ATOM 647 N GLY B 44 -16.089 -8.611 3.283 1.00 0.00 N ATOM 648 CA GLY B 44 -16.542 -7.454 4.032 1.00 0.00 C ATOM 649 C GLY B 44 -16.155 -6.159 3.347 1.00 0.00 C ATOM 650 O GLY B 44 -16.952 -5.223 3.285 1.00 0.00 O ATOM 0 H GLY B 44 -15.192 -8.486 2.813 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.625 -7.496 4.147 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.114 -7.478 5.034 1.00 0.00 H new ATOM 654 N TYR B 45 -14.924 -6.143 2.822 1.00 0.00 N ATOM 655 CA TYR B 45 -14.346 -5.027 2.078 1.00 0.00 C ATOM 656 C TYR B 45 -14.578 -3.651 2.722 1.00 0.00 C ATOM 657 O TYR B 45 -14.868 -3.544 3.912 1.00 0.00 O ATOM 658 CB TYR B 45 -14.800 -5.058 0.617 1.00 0.00 C ATOM 659 CG TYR B 45 -16.289 -4.867 0.384 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.875 -3.609 0.457 1.00 0.00 C ATOM 661 CD2 TYR B 45 -17.106 -5.950 0.087 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.227 -3.437 0.246 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.460 -5.786 -0.127 1.00 0.00 C ATOM 664 CZ TYR B 45 -19.016 -4.527 -0.046 1.00 0.00 C ATOM 665 OH TYR B 45 -20.366 -4.360 -0.258 1.00 0.00 O ATOM 0 H TYR B 45 -14.286 -6.934 2.908 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.266 -5.169 2.112 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.263 -4.281 0.073 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.503 -6.013 0.184 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -16.260 -2.750 0.683 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.675 -6.938 0.022 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.665 -2.452 0.310 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -19.080 -6.640 -0.357 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.776 -5.228 -0.454 1.00 0.00 H new ATOM 675 N GLY B 46 -14.379 -2.597 1.932 1.00 0.00 N ATOM 676 CA GLY B 46 -14.548 -1.250 2.420 1.00 0.00 C ATOM 677 C GLY B 46 -16.003 -0.842 2.425 1.00 0.00 C ATOM 678 O GLY B 46 -16.494 -0.259 1.458 1.00 0.00 O ATOM 0 H GLY B 46 -14.101 -2.661 0.953 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -14.144 -1.174 3.430 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.978 -0.562 1.796 1.00 0.00 H new ATOM 682 N ILE B 47 -16.693 -1.187 3.502 1.00 0.00 N ATOM 683 CA ILE B 47 -18.109 -0.881 3.646 1.00 0.00 C ATOM 684 C ILE B 47 -18.333 0.614 3.573 1.00 0.00 C ATOM 685 O ILE B 47 -18.896 1.133 2.606 1.00 0.00 O ATOM 686 CB ILE B 47 -18.672 -1.372 4.993 1.00 0.00 C ATOM 687 CG1 ILE B 47 -18.017 -2.681 5.413 1.00 0.00 C ATOM 688 CG2 ILE B 47 -20.180 -1.545 4.898 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.874 -2.519 6.395 1.00 0.00 C ATOM 0 H ILE B 47 -16.290 -1.684 4.297 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.622 -1.394 2.833 1.00 0.00 H new ATOM 0 HB ILE B 47 -18.447 -0.622 5.751 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.774 -3.326 5.858 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.647 -3.190 4.523 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.567 -1.892 5.856 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -20.641 -0.590 4.645 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -20.414 -2.277 4.125 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.464 -3.499 6.641 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.095 -1.902 5.948 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -17.240 -2.040 7.303 1.00 0.00 H new ATOM 701 N SER B 48 -17.885 1.297 4.605 1.00 0.00 N ATOM 702 CA SER B 48 -18.017 2.741 4.659 1.00 0.00 C ATOM 703 C SER B 48 -16.656 3.424 4.645 1.00 0.00 C ATOM 704 O SER B 48 -16.097 3.677 3.576 1.00 0.00 O ATOM 705 CB SER B 48 -18.814 3.168 5.890 1.00 0.00 C ATOM 706 OG SER B 48 -19.092 4.559 5.872 1.00 0.00 O ATOM 0 H SER B 48 -17.428 0.880 5.416 1.00 0.00 H new ATOM 0 HA SER B 48 -18.560 3.054 3.768 1.00 0.00 H new ATOM 0 HB2 SER B 48 -19.749 2.609 5.931 1.00 0.00 H new ATOM 0 HB3 SER B 48 -18.254 2.919 6.792 1.00 0.00 H new ATOM 0 HG SER B 48 -19.604 4.801 6.672 1.00 0.00 H new ATOM 712 N TYR B 49 -16.128 3.700 5.839 1.00 0.00 N ATOM 713 CA TYR B 49 -14.874 4.444 5.990 1.00 0.00 C ATOM 714 C TYR B 49 -14.966 5.776 5.268 1.00 0.00 C ATOM 715 O TYR B 49 -14.003 6.233 4.653 1.00 0.00 O ATOM 716 CB TYR B 49 -13.693 3.646 5.454 1.00 0.00 C ATOM 717 CG TYR B 49 -13.456 2.348 6.183 1.00 0.00 C ATOM 718 CD1 TYR B 49 -14.221 1.228 5.899 1.00 0.00 C ATOM 719 CD2 TYR B 49 -12.472 2.241 7.156 1.00 0.00 C ATOM 720 CE1 TYR B 49 -14.017 0.040 6.562 1.00 0.00 C ATOM 721 CE2 TYR B 49 -12.261 1.053 7.825 1.00 0.00 C ATOM 722 CZ TYR B 49 -13.037 -0.045 7.525 1.00 0.00 C ATOM 723 OH TYR B 49 -12.826 -1.231 8.187 1.00 0.00 O ATOM 0 H TYR B 49 -16.553 3.417 6.722 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.713 4.620 7.054 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.859 3.434 4.398 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.793 4.258 5.519 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -14.991 1.289 5.144 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -11.862 3.100 7.393 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -14.623 -0.823 6.328 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -11.492 0.984 8.580 1.00 0.00 H new ATOM 0 HH TYR B 49 -12.190 -1.088 8.919 1.00 0.00 H new ATOM 733 N GLU B 50 -16.125 6.403 5.425 1.00 0.00 N ATOM 734 CA GLU B 50 -16.527 7.574 4.668 1.00 0.00 C ATOM 735 C GLU B 50 -16.040 7.545 3.222 1.00 0.00 C ATOM 736 O GLU B 50 -16.674 6.944 2.353 1.00 0.00 O ATOM 737 CB GLU B 50 -16.040 8.803 5.390 1.00 0.00 C ATOM 738 CG GLU B 50 -16.591 8.878 6.790 1.00 0.00 C ATOM 739 CD GLU B 50 -18.103 8.905 6.822 1.00 0.00 C ATOM 740 OE1 GLU B 50 -18.686 10.002 6.701 1.00 0.00 O ATOM 741 OE2 GLU B 50 -18.717 7.827 6.979 1.00 0.00 O1- ATOM 0 H GLU B 50 -16.827 6.101 6.100 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.615 7.586 4.605 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -14.951 8.796 5.427 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -16.335 9.693 4.834 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -16.235 8.022 7.362 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -16.205 9.772 7.280 1.00 0.00 H new ATOM 748 N ASP B 51 -14.907 8.187 2.993 1.00 0.00 N ATOM 749 CA ASP B 51 -14.261 8.222 1.692 1.00 0.00 C ATOM 750 C ASP B 51 -12.893 8.855 1.865 1.00 0.00 C ATOM 751 O ASP B 51 -12.792 10.045 2.161 1.00 0.00 O ATOM 752 CB ASP B 51 -15.087 9.052 0.715 1.00 0.00 C ATOM 753 CG ASP B 51 -14.562 9.017 -0.704 1.00 0.00 C ATOM 754 OD1 ASP B 51 -13.531 9.659 -0.975 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -15.192 8.362 -1.562 1.00 0.00 O ATOM 0 H ASP B 51 -14.404 8.705 3.714 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.170 7.211 1.294 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.115 8.690 0.722 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.111 10.086 1.059 1.00 0.00 H new ATOM 760 N LYS B 52 -11.843 8.070 1.716 1.00 0.00 N ATOM 761 CA LYS B 52 -10.498 8.566 1.965 1.00 0.00 C ATOM 762 C LYS B 52 -9.571 8.136 0.849 1.00 0.00 C ATOM 763 O LYS B 52 -9.488 6.952 0.525 1.00 0.00 O ATOM 764 CB LYS B 52 -9.962 8.041 3.299 1.00 0.00 C ATOM 765 CG LYS B 52 -10.966 8.100 4.438 1.00 0.00 C ATOM 766 CD LYS B 52 -10.384 7.536 5.723 1.00 0.00 C ATOM 767 CE LYS B 52 -11.430 7.470 6.822 1.00 0.00 C ATOM 768 NZ LYS B 52 -10.849 7.023 8.113 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.891 7.093 1.426 1.00 0.00 H new ATOM 0 HA LYS B 52 -10.541 9.654 2.007 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.639 7.008 3.167 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.080 8.618 3.576 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.274 9.133 4.600 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.860 7.539 4.166 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -9.986 6.539 5.537 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -9.549 8.157 6.049 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -11.885 8.452 6.949 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -12.225 6.786 6.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -11.595 6.991 8.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -10.437 6.075 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -10.107 7.689 8.409 1.00 0.00 H new ATOM 782 N ASN B 53 -8.889 9.094 0.258 1.00 0.00 N ATOM 783 CA ASN B 53 -7.958 8.815 -0.815 1.00 0.00 C ATOM 784 C ASN B 53 -6.542 9.134 -0.387 1.00 0.00 C ATOM 785 O ASN B 53 -6.251 10.232 0.093 1.00 0.00 O ATOM 786 CB ASN B 53 -8.314 9.605 -2.076 1.00 0.00 C ATOM 787 CG ASN B 53 -8.535 11.085 -1.816 1.00 0.00 C ATOM 788 OD1 ASN B 53 -7.596 11.881 -1.843 1.00 0.00 O ATOM 789 ND2 ASN B 53 -9.779 11.471 -1.583 1.00 0.00 N ATOM 0 H ASN B 53 -8.963 10.081 0.505 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.027 7.752 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.515 9.487 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.216 9.182 -2.518 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -9.985 12.456 -1.418 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.532 10.783 -1.568 1.00 0.00 H new ATOM 796 N TRP B 54 -5.667 8.166 -0.536 1.00 0.00 N ATOM 797 CA TRP B 54 -4.270 8.360 -0.244 1.00 0.00 C ATOM 798 C TRP B 54 -3.426 7.522 -1.192 1.00 0.00 C ATOM 799 O TRP B 54 -3.938 6.614 -1.853 1.00 0.00 O ATOM 800 CB TRP B 54 -3.971 8.042 1.222 1.00 0.00 C ATOM 801 CG TRP B 54 -4.177 6.621 1.627 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.364 5.997 1.881 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.150 5.660 1.861 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.137 4.696 2.259 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.780 4.464 2.250 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.751 5.696 1.773 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.058 3.316 2.556 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.043 4.551 2.074 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.695 3.376 2.462 1.00 0.00 C ATOM 0 H TRP B 54 -5.904 7.229 -0.861 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.013 9.408 -0.399 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -2.936 8.315 1.431 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.600 8.675 1.848 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.337 6.458 1.797 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.855 4.015 2.506 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.239 6.600 1.476 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.557 2.407 2.858 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.035 4.562 2.009 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.110 2.498 2.692 1.00 0.00 H new ATOM 820 N GLY B 55 -2.149 7.843 -1.273 1.00 0.00 N ATOM 821 CA GLY B 55 -1.299 7.224 -2.256 1.00 0.00 C ATOM 822 C GLY B 55 -0.056 6.614 -1.658 1.00 0.00 C ATOM 823 O GLY B 55 0.459 7.092 -0.645 1.00 0.00 O ATOM 0 H GLY B 55 -1.685 8.524 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.861 6.451 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.011 7.967 -2.999 1.00 0.00 H new ATOM 827 N ILE B 56 0.407 5.539 -2.268 1.00 0.00 N ATOM 828 CA ILE B 56 1.700 4.978 -1.945 1.00 0.00 C ATOM 829 C ILE B 56 2.663 5.279 -3.081 1.00 0.00 C ATOM 830 O ILE B 56 2.250 5.383 -4.242 1.00 0.00 O ATOM 831 CB ILE B 56 1.601 3.465 -1.716 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.506 3.184 -0.690 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.933 2.903 -1.233 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.019 1.762 -0.696 1.00 0.00 C ATOM 0 H ILE B 56 -0.100 5.035 -2.996 1.00 0.00 H new ATOM 0 HA ILE B 56 2.065 5.428 -1.022 1.00 0.00 H new ATOM 0 HB ILE B 56 1.353 2.978 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.882 3.425 0.304 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.337 3.848 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.839 1.828 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.702 3.096 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.212 3.383 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.757 1.640 0.059 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.389 1.521 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.850 1.092 -0.474 1.00 0.00 H new ATOM 846 N PHE B 57 3.932 5.436 -2.753 1.00 0.00 N ATOM 847 CA PHE B 57 4.903 5.948 -3.708 1.00 0.00 C ATOM 848 C PHE B 57 6.128 5.049 -3.816 1.00 0.00 C ATOM 849 O PHE B 57 6.516 4.427 -2.840 1.00 0.00 O ATOM 850 CB PHE B 57 5.269 7.374 -3.286 1.00 0.00 C ATOM 851 CG PHE B 57 4.041 8.235 -3.229 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.552 8.832 -4.376 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.337 8.387 -2.048 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.380 9.562 -4.347 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.173 9.125 -2.013 1.00 0.00 C ATOM 856 CZ PHE B 57 1.691 9.709 -3.161 1.00 0.00 C ATOM 0 H PHE B 57 4.316 5.217 -1.834 1.00 0.00 H new ATOM 0 HA PHE B 57 4.467 5.961 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.755 7.358 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.984 7.796 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.092 8.726 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.703 7.923 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE B 57 2.004 10.017 -5.251 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.639 9.245 -1.082 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.775 10.281 -3.134 1.00 0.00 H new ATOM 866 N VAL B 58 6.721 4.963 -5.013 1.00 0.00 N ATOM 867 CA VAL B 58 7.915 4.166 -5.212 1.00 0.00 C ATOM 868 C VAL B 58 8.956 5.001 -5.945 1.00 0.00 C ATOM 869 O VAL B 58 8.627 5.715 -6.890 1.00 0.00 O ATOM 870 CB VAL B 58 7.618 2.863 -5.990 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.236 3.143 -7.438 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.805 1.917 -5.917 1.00 0.00 C ATOM 0 H VAL B 58 6.386 5.439 -5.851 1.00 0.00 H new ATOM 0 HA VAL B 58 8.298 3.871 -4.235 1.00 0.00 H new ATOM 0 HB VAL B 58 6.761 2.384 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.035 2.202 -7.950 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.343 3.768 -7.464 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.056 3.660 -7.937 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.578 1.005 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.681 2.398 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL B 58 9.009 1.668 -4.875 1.00 0.00 H new ATOM 882 N ASN B 59 10.204 4.931 -5.485 1.00 0.00 N ATOM 883 CA ASN B 59 11.284 5.782 -5.991 1.00 0.00 C ATOM 884 C ASN B 59 10.930 7.237 -5.739 1.00 0.00 C ATOM 885 O ASN B 59 11.488 8.150 -6.348 1.00 0.00 O ATOM 886 CB ASN B 59 11.540 5.573 -7.488 1.00 0.00 C ATOM 887 CG ASN B 59 11.375 4.139 -7.934 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.284 3.319 -7.822 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.204 3.844 -8.464 1.00 0.00 N ATOM 0 H ASN B 59 10.497 4.285 -4.752 1.00 0.00 H new ATOM 0 HA ASN B 59 12.197 5.508 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.856 6.203 -8.057 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.551 5.905 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.021 2.900 -8.803 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.481 4.560 -8.535 1.00 0.00 H new ATOM 896 N GLY B 60 9.977 7.435 -4.838 1.00 0.00 N ATOM 897 CA GLY B 60 9.510 8.755 -4.531 1.00 0.00 C ATOM 898 C GLY B 60 8.358 9.183 -5.422 1.00 0.00 C ATOM 899 O GLY B 60 7.783 10.258 -5.248 1.00 0.00 O ATOM 0 H GLY B 60 9.520 6.689 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.193 8.792 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.332 9.463 -4.639 1.00 0.00 H new ATOM 903 N GLU B 61 8.018 8.319 -6.366 1.00 0.00 N ATOM 904 CA GLU B 61 6.980 8.574 -7.348 1.00 0.00 C ATOM 905 C GLU B 61 5.731 7.812 -6.978 1.00 0.00 C ATOM 906 O GLU B 61 5.758 7.053 -6.049 1.00 0.00 O ATOM 907 CB GLU B 61 7.450 8.099 -8.707 1.00 0.00 C ATOM 908 CG GLU B 61 8.254 9.122 -9.483 1.00 0.00 C ATOM 909 CD GLU B 61 8.694 8.599 -10.831 1.00 0.00 C ATOM 910 OE1 GLU B 61 9.679 7.827 -10.883 1.00 0.00 O ATOM 911 OE2 GLU B 61 8.053 8.949 -11.843 1.00 0.00 O1- ATOM 0 H GLU B 61 8.463 7.407 -6.471 1.00 0.00 H new ATOM 0 HA GLU B 61 6.767 9.643 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.056 7.202 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.581 7.813 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.656 10.022 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.131 9.409 -8.903 1.00 0.00 H new ATOM 918 N LYS B 62 4.651 7.980 -7.712 1.00 0.00 N ATOM 919 CA LYS B 62 3.441 7.206 -7.443 1.00 0.00 C ATOM 920 C LYS B 62 3.715 5.704 -7.597 1.00 0.00 C ATOM 921 O LYS B 62 4.699 5.307 -8.228 1.00 0.00 O ATOM 922 CB LYS B 62 2.323 7.636 -8.397 1.00 0.00 C ATOM 923 CG LYS B 62 0.964 7.048 -8.058 1.00 0.00 C ATOM 924 CD LYS B 62 0.374 7.713 -6.828 1.00 0.00 C ATOM 925 CE LYS B 62 0.110 9.187 -7.077 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.907 9.400 -8.142 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.578 8.634 -8.491 1.00 0.00 H new ATOM 0 HA LYS B 62 3.128 7.396 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.250 8.724 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.592 7.343 -9.412 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.288 7.175 -8.904 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.061 5.976 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.556 7.215 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.058 7.600 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.229 9.655 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.040 9.679 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.329 10.344 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.453 9.328 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.650 8.677 -8.062 1.00 0.00 H new ATOM 940 N VAL B 63 2.900 4.879 -6.948 1.00 0.00 N ATOM 941 CA VAL B 63 2.874 3.453 -7.245 1.00 0.00 C ATOM 942 C VAL B 63 1.486 2.877 -6.967 1.00 0.00 C ATOM 943 O VAL B 63 1.166 1.762 -7.384 1.00 0.00 O ATOM 944 CB VAL B 63 3.936 2.669 -6.436 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.540 2.530 -4.974 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.187 1.305 -7.059 1.00 0.00 C ATOM 0 H VAL B 63 2.252 5.172 -6.217 1.00 0.00 H new ATOM 0 HA VAL B 63 3.112 3.342 -8.303 1.00 0.00 H new ATOM 0 HB VAL B 63 4.863 3.241 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.310 1.974 -4.440 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.433 3.520 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.592 1.996 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.936 0.771 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.259 0.733 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.546 1.432 -8.080 1.00 0.00 H new ATOM 956 N TYR B 64 0.648 3.653 -6.287 1.00 0.00 N ATOM 957 CA TYR B 64 -0.649 3.160 -5.851 1.00 0.00 C ATOM 958 C TYR B 64 -1.565 4.327 -5.496 1.00 0.00 C ATOM 959 O TYR B 64 -1.208 5.186 -4.693 1.00 0.00 O ATOM 960 CB TYR B 64 -0.444 2.250 -4.641 1.00 0.00 C ATOM 961 CG TYR B 64 -1.564 1.278 -4.331 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.798 1.350 -4.961 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.376 0.287 -3.375 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.810 0.464 -4.642 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.380 -0.603 -3.058 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.596 -0.508 -3.691 1.00 0.00 C ATOM 967 OH TYR B 64 -4.604 -1.379 -3.363 1.00 0.00 O ATOM 0 H TYR B 64 0.844 4.620 -6.028 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.121 2.596 -6.655 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.471 1.679 -4.795 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.284 2.878 -3.764 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.970 2.108 -5.711 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.424 0.213 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.767 0.534 -5.138 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -2.212 -1.370 -2.317 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.326 -0.890 -2.916 1.00 0.00 H new ATOM 977 N THR B 65 -2.727 4.351 -6.119 1.00 0.00 N ATOM 978 CA THR B 65 -3.731 5.383 -5.872 1.00 0.00 C ATOM 979 C THR B 65 -5.093 4.733 -5.656 1.00 0.00 C ATOM 980 O THR B 65 -5.519 3.921 -6.480 1.00 0.00 O ATOM 981 CB THR B 65 -3.832 6.357 -7.063 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.525 6.787 -7.461 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.680 7.568 -6.705 1.00 0.00 C ATOM 0 H THR B 65 -3.008 3.658 -6.812 1.00 0.00 H new ATOM 0 HA THR B 65 -3.430 5.939 -4.984 1.00 0.00 H new ATOM 0 HB THR B 65 -4.308 5.831 -7.890 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.526 6.993 -8.419 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.736 8.239 -7.562 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.684 7.242 -6.434 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.229 8.092 -5.862 1.00 0.00 H new ATOM 991 N PHE B 66 -5.774 5.069 -4.562 1.00 0.00 N ATOM 992 CA PHE B 66 -7.032 4.436 -4.250 1.00 0.00 C ATOM 993 C PHE B 66 -7.802 5.189 -3.185 1.00 0.00 C ATOM 994 O PHE B 66 -7.406 6.263 -2.729 1.00 0.00 O ATOM 995 CB PHE B 66 -6.788 3.002 -3.790 1.00 0.00 C ATOM 996 CG PHE B 66 -5.815 2.844 -2.665 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.456 2.894 -2.885 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.276 2.595 -1.397 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.564 2.699 -1.856 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.395 2.395 -0.353 1.00 0.00 C ATOM 1001 CZ PHE B 66 -4.033 2.443 -0.583 1.00 0.00 C ATOM 0 H PHE B 66 -5.470 5.772 -3.888 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.635 4.441 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.741 2.569 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.431 2.422 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.085 3.089 -3.880 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.340 2.555 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.501 2.746 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.769 2.201 0.641 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.339 2.281 0.229 1.00 0.00 H new ATOM 1011 N ASN B 67 -8.899 4.578 -2.811 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.824 5.104 -1.825 1.00 0.00 C ATOM 1013 C ASN B 67 -10.272 3.961 -0.919 1.00 0.00 C ATOM 1014 O ASN B 67 -10.109 2.796 -1.287 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.038 5.722 -2.528 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.924 6.528 -1.602 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.802 5.988 -0.927 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.712 7.832 -1.581 1.00 0.00 N ATOM 0 H ASN B 67 -9.185 3.676 -3.192 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.336 5.877 -1.231 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.691 6.365 -3.337 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.629 4.927 -2.983 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.287 8.433 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -10.974 8.238 -2.156 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.843 4.267 0.236 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.219 3.223 1.187 1.00 0.00 C ATOM 1027 C GLU B 68 -12.352 2.358 0.627 1.00 0.00 C ATOM 1028 O GLU B 68 -12.250 1.127 0.565 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.631 3.858 2.513 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.496 4.590 3.216 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.523 3.654 3.906 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -9.889 3.093 4.959 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -8.386 3.479 3.412 1.00 0.00 O ATOM 0 H GLU B 68 -11.056 5.218 0.539 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.358 2.576 1.356 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.447 4.558 2.333 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -12.016 3.082 3.174 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.955 5.195 2.488 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.915 5.276 3.952 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.410 3.023 0.183 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.596 2.368 -0.357 1.00 0.00 C ATOM 1042 C LYS B 69 -14.305 1.727 -1.712 1.00 0.00 C ATOM 1043 O LYS B 69 -15.052 0.869 -2.178 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.714 3.393 -0.497 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.059 2.794 -0.879 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.136 3.859 -0.984 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.401 4.533 0.353 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.428 5.600 0.237 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.471 4.041 0.187 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.900 1.577 0.329 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.821 3.929 0.446 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.428 4.127 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.968 2.273 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.352 2.052 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.834 4.609 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -19.058 3.408 -1.352 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -18.731 3.788 1.077 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -17.474 4.960 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -19.582 6.037 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.102 6.324 -0.435 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -20.320 5.188 -0.104 1.00 0.00 H new ATOM 1062 N SER B 70 -13.215 2.150 -2.340 1.00 0.00 N ATOM 1063 CA SER B 70 -12.766 1.551 -3.591 1.00 0.00 C ATOM 1064 C SER B 70 -12.263 0.125 -3.336 1.00 0.00 C ATOM 1065 O SER B 70 -12.029 -0.643 -4.269 1.00 0.00 O ATOM 1066 CB SER B 70 -11.678 2.430 -4.224 1.00 0.00 C ATOM 1067 OG SER B 70 -10.867 1.708 -5.126 1.00 0.00 O ATOM 0 H SER B 70 -12.623 2.909 -2.002 1.00 0.00 H new ATOM 0 HA SER B 70 -13.599 1.490 -4.291 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.146 3.264 -4.747 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.054 2.856 -3.438 1.00 0.00 H new ATOM 0 HG SER B 70 -10.190 2.305 -5.507 1.00 0.00 H new ATOM 1073 N THR B 71 -12.125 -0.204 -2.050 1.00 0.00 N ATOM 1074 CA THR B 71 -11.764 -1.523 -1.571 1.00 0.00 C ATOM 1075 C THR B 71 -10.399 -1.969 -2.087 1.00 0.00 C ATOM 1076 O THR B 71 -10.264 -2.535 -3.173 1.00 0.00 O ATOM 1077 CB THR B 71 -12.860 -2.566 -1.877 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.900 -2.902 -3.271 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.225 -2.048 -1.456 1.00 0.00 C ATOM 0 H THR B 71 -12.268 0.468 -1.296 1.00 0.00 H new ATOM 0 HA THR B 71 -11.683 -1.451 -0.486 1.00 0.00 H new ATOM 0 HB THR B 71 -12.612 -3.462 -1.308 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.257 -2.347 -3.760 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.984 -2.798 -1.680 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.222 -1.843 -0.385 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.450 -1.131 -2.000 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.389 -1.723 -1.261 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.993 -1.925 -1.636 1.00 0.00 C ATOM 1089 C VAL B 72 -7.700 -3.372 -2.029 1.00 0.00 C ATOM 1090 O VAL B 72 -6.736 -3.634 -2.742 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.047 -1.494 -0.494 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.529 -0.194 0.126 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.922 -2.583 0.559 1.00 0.00 C ATOM 0 H VAL B 72 -9.514 -1.377 -0.310 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.813 -1.299 -2.510 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.056 -1.331 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.853 0.098 0.930 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.548 0.587 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.532 -0.333 0.528 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.250 -2.249 1.349 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.904 -2.794 0.983 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.523 -3.488 0.101 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.542 -4.298 -1.583 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.344 -5.699 -1.900 1.00 0.00 C ATOM 1105 C GLY B 73 -8.253 -5.952 -3.394 1.00 0.00 C ATOM 1106 O GLY B 73 -7.341 -6.636 -3.862 1.00 0.00 O ATOM 0 H GLY B 73 -9.360 -4.102 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.431 -6.051 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.167 -6.281 -1.486 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.182 -5.378 -4.145 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.223 -5.576 -5.589 1.00 0.00 C ATOM 1112 C ASN B 74 -8.181 -4.701 -6.268 1.00 0.00 C ATOM 1113 O ASN B 74 -7.542 -5.105 -7.240 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.618 -5.259 -6.140 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.704 -6.045 -5.460 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.962 -7.204 -5.783 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.378 -5.399 -4.528 1.00 0.00 N ATOM 0 H ASN B 74 -9.917 -4.772 -3.780 1.00 0.00 H new ATOM 0 HA ASN B 74 -8.999 -6.622 -5.799 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.817 -4.194 -6.021 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.638 -5.470 -7.209 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.148 -5.860 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.129 -4.438 -4.292 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.988 -3.510 -5.720 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.046 -2.552 -6.289 1.00 0.00 C ATOM 1126 C ILE B 75 -5.623 -3.086 -6.187 1.00 0.00 C ATOM 1127 O ILE B 75 -4.845 -3.025 -7.138 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.069 -1.197 -5.559 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.456 -0.856 -5.016 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.594 -0.107 -6.503 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.445 0.350 -4.127 1.00 0.00 C ATOM 0 H ILE B 75 -8.470 -3.182 -4.883 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.351 -2.411 -7.326 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.398 -1.267 -4.703 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -9.136 -0.682 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.845 -1.709 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.610 0.853 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.578 -0.327 -6.830 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -7.253 -0.064 -7.370 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.455 0.547 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.788 0.169 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -8.084 1.212 -4.688 1.00 0.00 H new ATOM 1143 N SER B 76 -5.304 -3.606 -5.010 1.00 0.00 N ATOM 1144 CA SER B 76 -3.959 -4.100 -4.708 1.00 0.00 C ATOM 1145 C SER B 76 -3.615 -5.285 -5.589 1.00 0.00 C ATOM 1146 O SER B 76 -2.449 -5.534 -5.879 1.00 0.00 O ATOM 1147 CB SER B 76 -3.841 -4.496 -3.232 1.00 0.00 C ATOM 1148 OG SER B 76 -2.516 -4.882 -2.902 1.00 0.00 O ATOM 0 H SER B 76 -5.964 -3.699 -4.238 1.00 0.00 H new ATOM 0 HA SER B 76 -3.254 -3.294 -4.910 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.144 -3.658 -2.604 1.00 0.00 H new ATOM 0 HB3 SER B 76 -4.524 -5.318 -3.019 1.00 0.00 H new ATOM 0 HG SER B 76 -2.473 -5.127 -1.954 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.641 -6.006 -6.010 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.477 -7.126 -6.923 1.00 0.00 C ATOM 1156 C ASN B 77 -3.754 -6.669 -8.174 1.00 0.00 C ATOM 1157 O ASN B 77 -2.846 -7.331 -8.678 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.840 -7.661 -7.313 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.770 -9.066 -7.878 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.912 -9.861 -7.488 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.666 -9.383 -8.796 1.00 0.00 N ATOM 0 H ASN B 77 -5.607 -5.833 -5.730 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.897 -7.905 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.493 -7.656 -6.440 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.290 -6.997 -8.051 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.664 -10.315 -9.210 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.359 -8.695 -9.091 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.183 -5.523 -8.664 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.544 -4.887 -9.812 1.00 0.00 C ATOM 1170 C ASP B 78 -2.164 -4.357 -9.445 1.00 0.00 C ATOM 1171 O ASP B 78 -1.224 -4.480 -10.217 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.405 -3.750 -10.362 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.534 -4.245 -11.243 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.255 -4.750 -12.352 1.00 0.00 O1- ATOM 1175 OD2 ASP B 78 -6.709 -4.130 -10.834 1.00 0.00 O ATOM 0 H ASP B 78 -4.977 -5.006 -8.286 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.434 -5.647 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.821 -3.180 -9.531 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.776 -3.067 -10.934 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.044 -3.777 -8.261 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.774 -3.236 -7.784 1.00 0.00 C ATOM 1182 C ILE B 79 0.320 -4.304 -7.744 1.00 0.00 C ATOM 1183 O ILE B 79 1.507 -4.014 -7.920 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.963 -2.605 -6.413 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.012 -1.520 -6.561 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.342 -2.037 -5.868 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.679 -0.466 -7.602 1.00 0.00 C ATOM 0 H ILE B 79 -2.817 -3.667 -7.605 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.448 -2.470 -8.488 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.286 -3.359 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -2.963 -1.984 -6.822 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.150 -1.031 -5.597 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.165 -1.595 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.078 -2.836 -5.779 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.718 -1.272 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.481 0.271 -7.643 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.745 0.028 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.571 -0.940 -8.578 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.104 -5.542 -7.544 1.00 0.00 N ATOM 1200 CA ASN B 80 0.804 -6.688 -7.533 1.00 0.00 C ATOM 1201 C ASN B 80 1.536 -6.844 -8.868 1.00 0.00 C ATOM 1202 O ASN B 80 2.610 -7.438 -8.925 1.00 0.00 O ATOM 1203 CB ASN B 80 0.038 -7.981 -7.236 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.630 -7.983 -5.877 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -0.149 -7.371 -4.931 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.756 -8.670 -5.774 1.00 0.00 N ATOM 0 H ASN B 80 -1.082 -5.785 -7.385 1.00 0.00 H new ATOM 0 HA ASN B 80 1.538 -6.503 -6.749 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.719 -8.131 -8.006 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.726 -8.825 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -2.254 -8.702 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -2.126 -9.167 -6.584 1.00 0.00 H new ATOM 1213 N LYS B 81 0.962 -6.305 -9.938 1.00 0.00 N ATOM 1214 CA LYS B 81 1.508 -6.505 -11.275 1.00 0.00 C ATOM 1215 C LYS B 81 2.394 -5.329 -11.694 1.00 0.00 C ATOM 1216 O LYS B 81 2.866 -5.269 -12.827 1.00 0.00 O ATOM 1217 CB LYS B 81 0.368 -6.693 -12.285 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.261 -5.398 -12.756 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.517 -5.638 -13.574 1.00 0.00 C ATOM 1220 CE LYS B 81 -1.249 -6.500 -14.794 1.00 0.00 C ATOM 1221 NZ LYS B 81 -2.481 -6.715 -15.596 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.121 -5.728 -9.906 1.00 0.00 H new ATOM 0 HA LYS B 81 2.126 -7.403 -11.258 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.749 -7.235 -13.150 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.404 -7.316 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.504 -4.778 -11.893 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.460 -4.842 -13.355 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -2.269 -6.119 -12.949 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -1.931 -4.681 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -0.489 -6.026 -15.415 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -0.848 -7.463 -14.478 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -2.259 -7.308 -16.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.198 -7.190 -15.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -2.850 -5.798 -15.918 1.00 0.00 H new ATOM 1235 N LEU B 82 2.634 -4.408 -10.770 1.00 0.00 N ATOM 1236 CA LEU B 82 3.384 -3.192 -11.073 1.00 0.00 C ATOM 1237 C LEU B 82 4.881 -3.448 -11.115 1.00 0.00 C ATOM 1238 O LEU B 82 5.657 -2.561 -11.473 1.00 0.00 O ATOM 1239 CB LEU B 82 3.088 -2.110 -10.035 1.00 0.00 C ATOM 1240 CG LEU B 82 1.920 -1.175 -10.352 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.311 -0.183 -11.434 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.692 -1.960 -10.783 1.00 0.00 C ATOM 0 H LEU B 82 2.320 -4.478 -9.802 1.00 0.00 H new ATOM 0 HA LEU B 82 3.065 -2.855 -12.059 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.889 -2.596 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.986 -1.506 -9.904 1.00 0.00 H new ATOM 0 HG LEU B 82 1.674 -0.627 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.468 0.474 -11.647 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.158 0.412 -11.093 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.588 -0.723 -12.340 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.123 -1.270 -11.002 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.926 -2.540 -11.676 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.391 -2.634 -9.981 1.00 0.00 H new ATOM 1254 N ASN B 83 5.266 -4.680 -10.772 1.00 0.00 N ATOM 1255 CA ASN B 83 6.646 -5.055 -10.589 1.00 0.00 C ATOM 1256 C ASN B 83 7.411 -3.970 -9.838 1.00 0.00 C ATOM 1257 O ASN B 83 8.465 -3.510 -10.277 1.00 0.00 O ATOM 1258 CB ASN B 83 7.273 -5.343 -11.939 1.00 0.00 C ATOM 1259 CG ASN B 83 6.623 -6.517 -12.647 1.00 0.00 C ATOM 1260 OD1 ASN B 83 7.046 -7.662 -12.487 1.00 0.00 O ATOM 1261 ND2 ASN B 83 5.597 -6.244 -13.438 1.00 0.00 N ATOM 0 H ASN B 83 4.610 -5.445 -10.615 1.00 0.00 H new ATOM 0 HA ASN B 83 6.695 -5.959 -9.982 1.00 0.00 H new ATOM 0 HB2 ASN B 83 7.195 -4.456 -12.568 1.00 0.00 H new ATOM 0 HB3 ASN B 83 8.335 -5.547 -11.806 1.00 0.00 H new ATOM 0 HD21 ASN B 83 5.127 -6.996 -13.942 1.00 0.00 H new ATOM 0 HD22 ASN B 83 5.277 -5.281 -13.544 1.00 0.00 H new ATOM 1268 N ILE B 84 6.851 -3.583 -8.696 1.00 0.00 N ATOM 1269 CA ILE B 84 7.316 -2.445 -7.910 1.00 0.00 C ATOM 1270 C ILE B 84 8.819 -2.507 -7.607 1.00 0.00 C ATOM 1271 O ILE B 84 9.406 -3.580 -7.480 1.00 0.00 O ATOM 1272 CB ILE B 84 6.503 -2.381 -6.604 1.00 0.00 C ATOM 1273 CG1 ILE B 84 5.037 -2.158 -6.953 1.00 0.00 C ATOM 1274 CG2 ILE B 84 7.003 -1.277 -5.678 1.00 0.00 C ATOM 1275 CD1 ILE B 84 4.091 -2.421 -5.810 1.00 0.00 C ATOM 0 H ILE B 84 6.048 -4.059 -8.284 1.00 0.00 H new ATOM 0 HA ILE B 84 7.162 -1.541 -8.499 1.00 0.00 H new ATOM 0 HB ILE B 84 6.624 -3.323 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.906 -1.130 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.770 -2.805 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.403 -1.266 -4.768 1.00 0.00 H new ATOM 0 HG22 ILE B 84 8.046 -1.461 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.918 -0.314 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE B 84 3.067 -2.241 -6.136 1.00 0.00 H new ATOM 0 HD12 ILE B 84 4.191 -3.457 -5.486 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.330 -1.756 -4.980 1.00 0.00 H new ATOM 1287 N LYS B 85 9.434 -1.338 -7.531 1.00 0.00 N ATOM 1288 CA LYS B 85 10.851 -1.223 -7.216 1.00 0.00 C ATOM 1289 C LYS B 85 11.069 -1.065 -5.716 1.00 0.00 C ATOM 1290 O LYS B 85 10.171 -1.321 -4.917 1.00 0.00 O ATOM 1291 CB LYS B 85 11.431 -0.016 -7.939 1.00 0.00 C ATOM 1292 CG LYS B 85 11.272 -0.081 -9.440 1.00 0.00 C ATOM 1293 CD LYS B 85 12.108 -1.199 -10.041 1.00 0.00 C ATOM 1294 CE LYS B 85 12.062 -1.179 -11.559 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.971 -2.192 -12.157 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.968 -0.444 -7.685 1.00 0.00 H new ATOM 0 HA LYS B 85 11.351 -2.135 -7.542 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.946 0.887 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.490 0.069 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.222 -0.236 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS B 85 11.567 0.872 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS B 85 13.141 -1.102 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS B 85 11.745 -2.161 -9.678 1.00 0.00 H new ATOM 0 HE2 LYS B 85 11.041 -1.365 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS B 85 12.339 -0.187 -11.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.909 -2.145 -13.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 13.949 -2.000 -11.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 12.692 -3.141 -11.836 1.00 0.00 H new ATOM 1309 N GLY B 86 12.264 -0.633 -5.340 1.00 0.00 N ATOM 1310 CA GLY B 86 12.562 -0.429 -3.937 1.00 0.00 C ATOM 1311 C GLY B 86 13.653 0.600 -3.711 1.00 0.00 C ATOM 1312 O GLY B 86 14.807 0.381 -4.088 1.00 0.00 O ATOM 0 H GLY B 86 13.030 -0.421 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.656 -0.111 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.866 -1.377 -3.493 1.00 0.00 H new ATOM 1316 N MET B 87 13.281 1.728 -3.098 1.00 0.00 N ATOM 1317 CA MET B 87 14.244 2.765 -2.720 1.00 0.00 C ATOM 1318 C MET B 87 13.573 3.873 -1.891 1.00 0.00 C ATOM 1319 O MET B 87 14.015 4.161 -0.782 1.00 0.00 O ATOM 1320 CB MET B 87 14.972 3.360 -3.946 1.00 0.00 C ATOM 1321 CG MET B 87 14.089 4.148 -4.897 1.00 0.00 C ATOM 1322 SD MET B 87 15.000 4.838 -6.292 1.00 0.00 S ATOM 1323 CE MET B 87 15.532 3.346 -7.129 1.00 0.00 C ATOM 0 H MET B 87 12.315 1.946 -2.852 1.00 0.00 H new ATOM 0 HA MET B 87 14.999 2.283 -2.099 1.00 0.00 H new ATOM 0 HB2 MET B 87 15.772 4.011 -3.594 1.00 0.00 H new ATOM 0 HB3 MET B 87 15.442 2.548 -4.500 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.298 3.499 -5.272 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.605 4.957 -4.350 1.00 0.00 H new ATOM 0 HE1 MET B 87 15.820 3.586 -8.153 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.385 2.918 -6.603 1.00 0.00 H new ATOM 0 HE3 MET B 87 14.715 2.625 -7.142 1.00 0.00 H new ATOM 1333 N TYR B 88 12.500 4.487 -2.405 1.00 0.00 N ATOM 1334 CA TYR B 88 11.823 5.549 -1.680 1.00 0.00 C ATOM 1335 C TYR B 88 10.314 5.356 -1.751 1.00 0.00 C ATOM 1336 O TYR B 88 9.645 5.898 -2.627 1.00 0.00 O ATOM 1337 CB TYR B 88 12.216 6.907 -2.263 1.00 0.00 C ATOM 1338 CG TYR B 88 11.768 8.100 -1.440 1.00 0.00 C ATOM 1339 CD1 TYR B 88 11.230 7.943 -0.166 1.00 0.00 C ATOM 1340 CD2 TYR B 88 11.890 9.386 -1.944 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.825 9.035 0.575 1.00 0.00 C ATOM 1342 CE2 TYR B 88 11.489 10.481 -1.208 1.00 0.00 C ATOM 1343 CZ TYR B 88 10.957 10.302 0.050 1.00 0.00 C ATOM 1344 OH TYR B 88 10.551 11.395 0.783 1.00 0.00 O ATOM 0 H TYR B 88 12.091 4.264 -3.312 1.00 0.00 H new ATOM 0 HA TYR B 88 12.126 5.515 -0.633 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.300 6.942 -2.370 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.794 6.994 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR B 88 11.128 6.951 0.249 1.00 0.00 H new ATOM 0 HD2 TYR B 88 12.306 9.533 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR B 88 10.407 8.897 1.561 1.00 0.00 H new ATOM 0 HE2 TYR B 88 11.592 11.476 -1.616 1.00 0.00 H new ATOM 0 HH TYR B 88 10.714 12.213 0.269 1.00 0.00 H new ATOM 1354 N ILE B 89 9.795 4.540 -0.857 1.00 0.00 N ATOM 1355 CA ILE B 89 8.368 4.302 -0.778 1.00 0.00 C ATOM 1356 C ILE B 89 7.736 5.135 0.330 1.00 0.00 C ATOM 1357 O ILE B 89 8.026 4.933 1.507 1.00 0.00 O ATOM 1358 CB ILE B 89 8.065 2.796 -0.567 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.347 2.014 -1.854 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.621 2.581 -0.127 1.00 0.00 C ATOM 1361 CD1 ILE B 89 9.810 1.933 -2.237 1.00 0.00 C ATOM 0 H ILE B 89 10.346 4.026 -0.169 1.00 0.00 H new ATOM 0 HA ILE B 89 7.928 4.607 -1.727 1.00 0.00 H new ATOM 0 HB ILE B 89 8.718 2.428 0.224 1.00 0.00 H new ATOM 0 HG12 ILE B 89 7.958 1.002 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.796 2.477 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.438 1.516 0.013 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.445 3.106 0.812 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.946 2.968 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.914 1.362 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE B 89 10.203 2.939 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE B 89 10.368 1.440 -1.441 1.00 0.00 H new ATOM 1373 N GLU B 90 6.883 6.077 -0.048 1.00 0.00 N ATOM 1374 CA GLU B 90 6.233 6.940 0.929 1.00 0.00 C ATOM 1375 C GLU B 90 4.830 6.457 1.246 1.00 0.00 C ATOM 1376 O GLU B 90 4.354 5.462 0.695 1.00 0.00 O ATOM 1377 CB GLU B 90 6.145 8.385 0.443 1.00 0.00 C ATOM 1378 CG GLU B 90 7.469 8.996 0.040 1.00 0.00 C ATOM 1379 CD GLU B 90 7.324 10.453 -0.338 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.825 11.240 0.498 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.682 10.818 -1.473 1.00 0.00 O ATOM 0 H GLU B 90 6.626 6.263 -1.017 1.00 0.00 H new ATOM 0 HA GLU B 90 6.850 6.899 1.827 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.466 8.427 -0.409 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.704 8.994 1.232 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.178 8.903 0.863 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.884 8.442 -0.802 1.00 0.00 H new ATOM 1388 N ILE B 91 4.175 7.207 2.117 1.00 0.00 N ATOM 1389 CA ILE B 91 2.837 6.892 2.604 1.00 0.00 C ATOM 1390 C ILE B 91 2.134 8.195 2.970 1.00 0.00 C ATOM 1391 O ILE B 91 2.575 8.877 3.898 1.00 0.00 O ATOM 1392 CB ILE B 91 2.878 6.035 3.891 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.781 4.814 3.731 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.474 5.608 4.294 1.00 0.00 C ATOM 1395 CD1 ILE B 91 4.080 4.122 5.040 1.00 0.00 C ATOM 0 H ILE B 91 4.561 8.064 2.513 1.00 0.00 H new ATOM 0 HA ILE B 91 2.322 6.341 1.817 1.00 0.00 H new ATOM 0 HB ILE B 91 3.299 6.655 4.683 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.307 4.105 3.052 1.00 0.00 H new ATOM 0 HG13 ILE B 91 4.718 5.121 3.267 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.523 5.006 5.201 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.863 6.492 4.478 1.00 0.00 H new ATOM 0 HG23 ILE B 91 1.028 5.020 3.492 1.00 0.00 H new ATOM 0 HD11 ILE B 91 4.726 3.263 4.858 1.00 0.00 H new ATOM 0 HD12 ILE B 91 4.582 4.817 5.713 1.00 0.00 H new ATOM 0 HD13 ILE B 91 3.148 3.786 5.495 1.00 0.00 H new ATOM 1407 N LYS B 92 1.066 8.556 2.269 1.00 0.00 N ATOM 1408 CA LYS B 92 0.375 9.817 2.552 1.00 0.00 C ATOM 1409 C LYS B 92 -0.893 9.978 1.728 1.00 0.00 C ATOM 1410 O LYS B 92 -1.076 9.326 0.704 1.00 0.00 O ATOM 1411 CB LYS B 92 1.304 10.994 2.265 1.00 0.00 C ATOM 1412 CG LYS B 92 1.869 10.961 0.860 1.00 0.00 C ATOM 1413 CD LYS B 92 3.139 11.793 0.744 1.00 0.00 C ATOM 1414 CE LYS B 92 3.627 11.874 -0.694 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.902 12.632 -0.810 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.661 8.006 1.511 1.00 0.00 H new ATOM 0 HA LYS B 92 0.094 9.798 3.605 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.759 11.926 2.412 1.00 0.00 H new ATOM 0 HB3 LYS B 92 2.124 10.988 2.983 1.00 0.00 H new ATOM 0 HG2 LYS B 92 2.082 9.930 0.578 1.00 0.00 H new ATOM 0 HG3 LYS B 92 1.123 11.336 0.159 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.952 12.798 1.122 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.918 11.357 1.369 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.768 10.867 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.864 12.352 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 5.338 12.439 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.710 13.650 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.551 12.337 -0.053 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.755 10.866 2.200 1.00 0.00 N ATOM 1430 CA GLN B 93 -2.963 11.248 1.494 1.00 0.00 C ATOM 1431 C GLN B 93 -2.628 12.108 0.287 1.00 0.00 C ATOM 1432 O GLN B 93 -1.554 12.707 0.208 1.00 0.00 O ATOM 1433 CB GLN B 93 -3.918 11.977 2.449 1.00 0.00 C ATOM 1434 CG GLN B 93 -3.216 12.841 3.492 1.00 0.00 C ATOM 1435 CD GLN B 93 -2.515 14.052 2.907 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.994 14.666 1.956 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -1.352 14.377 3.446 1.00 0.00 N ATOM 0 H GLN B 93 -1.632 11.345 3.092 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.461 10.349 1.130 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.590 12.606 1.864 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.536 11.239 2.960 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -3.948 13.176 4.227 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -2.486 12.231 4.025 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -0.988 13.842 4.235 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -0.819 15.162 3.073 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.547 12.145 -0.652 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.355 12.866 -1.893 1.00 0.00 C ATOM 1448 C ILE B 94 -4.434 13.924 -2.079 1.00 0.00 C ATOM 1449 O ILE B 94 -4.876 14.138 -3.225 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.384 11.874 -3.066 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.515 10.868 -2.840 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.047 11.162 -3.172 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.683 9.856 -3.953 1.00 0.00 C ATOM 1454 OXT ILE B 94 -4.857 14.527 -1.067 1.00 0.00 O ATOM 0 H ILE B 94 -4.450 11.676 -0.578 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.389 13.370 -1.861 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.562 12.407 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.331 10.336 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.451 11.413 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.074 10.460 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.257 11.894 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.849 10.620 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.505 9.183 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.901 10.375 -4.887 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.764 9.281 -4.064 1.00 0.00 H new