USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=27 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 53 ASN : amide:sc= -4.9! K(o=-8.4!,f=-1.2) USER MOD Set 1.2: B 67 ASN : amide:sc= -3.52! C(o=-8.4!,f=-4.2!) USER MOD Set 2.1: B 45 TYR OH : rot 30:sc= 0.301 USER MOD Set 2.2: B 69 LYS NZ :NH3+ -111:sc= 1.76 (180deg=0.507) USER MOD Set 3.1: B 42 ASN : amide:sc= 0.707 K(o=2.4,f=1.7) USER MOD Set 3.2: B 71 THR OG1 : rot 3:sc= 1.12 USER MOD Set 3.3: B 74 ASN : amide:sc= 0.535 K(o=2.4,f=1.7) USER MOD Set 4.1: B 32 ASN : amide:sc= 0.0479 K(o=-0.87,f=-2.5) USER MOD Set 4.2: B 35 GLN : amide:sc= -0.764 K(o=-0.87,f=-2.5!) USER MOD Set 4.3: B 83 ASN : amide:sc= -0.159 X(o=-0.87,f=-0.85) USER MOD Set 5.1: B 30 SER OG : rot -35:sc= 1.2 USER MOD Set 5.2: B 37 LYS NZ :NH3+ -147:sc= 0.707 (180deg=-0.0175) USER MOD Single : B 10 MET CE :methyl -176:sc= -0.155 (180deg=-0.175) USER MOD Single : B 11 ASN : amide:sc= -0.0729 X(o=-0.073,f=-0.073) USER MOD Single : B 12 SER OG : rot -140:sc= -0.125 USER MOD Single : B 14 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.017) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= -1.95 K(o=-2,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 167:sc= -0.0171 (180deg=-0.271) USER MOD Single : B 24 LYS NZ :NH3+ -169:sc= 1.54 (180deg=1.02) 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= -0.182 (180deg=-0.775) USER MOD Single : B 34 ASN : amide:sc= -1.45 K(o=-1.5,f=-3.4!) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot -161:sc= 1.13 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0357 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1) USER MOD Single : B 59 ASN : amide:sc= -4.47! K(o=-4.5!,f=-1.8) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 TYR OH : rot 146:sc= 0.959 USER MOD Single : B 65 THR OG1 : rot -148:sc= -0.653 USER MOD Single : B 70 SER OG : rot 180:sc= -0.118 USER MOD Single : B 76 SER OG : rot -80:sc= -0.0138 USER MOD Single : B 77 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.2!) USER MOD Single : B 80 ASN : amide:sc= 0.144 K(o=0.14,f=-5.8!) USER MOD Single : B 81 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0.979) USER MOD Single : B 85 LYS NZ :NH3+ 166:sc=-0.00929 (180deg=-0.209) USER MOD Single : B 87 MET CE :methyl -172:sc= 0 (180deg=-0.177) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.478) USER MOD Single : B 93 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 13.169 2.561 4.904 1.00 0.00 N ATOM 145 CA MET B 10 12.088 3.536 4.922 1.00 0.00 C ATOM 146 C MET B 10 10.935 3.015 5.768 1.00 0.00 C ATOM 147 O MET B 10 10.597 1.840 5.684 1.00 0.00 O ATOM 148 CB MET B 10 11.591 3.804 3.497 1.00 0.00 C ATOM 149 CG MET B 10 12.626 4.441 2.584 1.00 0.00 C ATOM 150 SD MET B 10 13.124 6.082 3.139 1.00 0.00 S ATOM 151 CE MET B 10 14.280 6.537 1.851 1.00 0.00 C ATOM 0 HA MET B 10 12.464 4.465 5.351 1.00 0.00 H new ATOM 0 HB2 MET B 10 11.264 2.863 3.055 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.717 4.454 3.545 1.00 0.00 H new ATOM 0 HG2 MET B 10 13.504 3.797 2.532 1.00 0.00 H new ATOM 0 HG3 MET B 10 12.221 4.510 1.574 1.00 0.00 H new ATOM 0 HE1 MET B 10 14.730 7.501 2.090 1.00 0.00 H new ATOM 0 HE2 MET B 10 15.061 5.780 1.779 1.00 0.00 H new ATOM 0 HE3 MET B 10 13.754 6.608 0.899 1.00 0.00 H new ATOM 161 N ASN B 11 10.358 3.918 6.575 1.00 0.00 N ATOM 162 CA ASN B 11 9.219 3.655 7.478 1.00 0.00 C ATOM 163 C ASN B 11 8.138 2.748 6.875 1.00 0.00 C ATOM 164 O ASN B 11 7.336 2.145 7.593 1.00 0.00 O ATOM 165 CB ASN B 11 8.594 4.994 7.880 1.00 0.00 C ATOM 166 CG ASN B 11 7.330 4.849 8.714 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.389 4.637 9.926 1.00 0.00 O ATOM 168 ND2 ASN B 11 6.180 4.997 8.076 1.00 0.00 N ATOM 0 H ASN B 11 10.680 4.885 6.621 1.00 0.00 H new ATOM 0 HA ASN B 11 9.616 3.119 8.340 1.00 0.00 H new ATOM 0 HB2 ASN B 11 9.326 5.573 8.443 1.00 0.00 H new ATOM 0 HB3 ASN B 11 8.362 5.562 6.979 1.00 0.00 H new ATOM 0 HD21 ASN B 11 5.301 4.937 8.589 1.00 0.00 H new ATOM 0 HD22 ASN B 11 6.173 5.171 7.071 1.00 0.00 H new ATOM 175 N SER B 12 8.135 2.657 5.563 1.00 0.00 N ATOM 176 CA SER B 12 7.221 1.814 4.821 1.00 0.00 C ATOM 177 C SER B 12 7.364 0.330 5.192 1.00 0.00 C ATOM 178 O SER B 12 6.562 -0.483 4.736 1.00 0.00 O ATOM 179 CB SER B 12 7.487 2.009 3.323 1.00 0.00 C ATOM 180 OG SER B 12 6.686 1.154 2.530 1.00 0.00 O ATOM 0 H SER B 12 8.781 3.177 4.969 1.00 0.00 H new ATOM 0 HA SER B 12 6.202 2.105 5.074 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.290 3.046 3.051 1.00 0.00 H new ATOM 0 HB3 SER B 12 8.540 1.818 3.113 1.00 0.00 H new ATOM 0 HG SER B 12 7.217 0.810 1.781 1.00 0.00 H new ATOM 186 N ILE B 13 8.375 -0.021 6.005 1.00 0.00 N ATOM 187 CA ILE B 13 8.639 -1.419 6.343 1.00 0.00 C ATOM 188 C ILE B 13 7.370 -2.152 6.765 1.00 0.00 C ATOM 189 O ILE B 13 6.958 -3.124 6.138 1.00 0.00 O ATOM 190 CB ILE B 13 9.668 -1.617 7.478 1.00 0.00 C ATOM 191 CG1 ILE B 13 10.711 -0.517 7.483 1.00 0.00 C ATOM 192 CG2 ILE B 13 10.338 -2.975 7.347 1.00 0.00 C ATOM 193 CD1 ILE B 13 10.324 0.616 8.377 1.00 0.00 C ATOM 0 H ILE B 13 9.017 0.645 6.436 1.00 0.00 H new ATOM 0 HA ILE B 13 9.049 -1.830 5.420 1.00 0.00 H new ATOM 0 HB ILE B 13 9.132 -1.571 8.426 1.00 0.00 H new ATOM 0 HG12 ILE B 13 11.668 -0.926 7.809 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.852 -0.146 6.468 1.00 0.00 H new ATOM 0 HG21 ILE B 13 11.061 -3.103 8.152 1.00 0.00 H new ATOM 0 HG22 ILE B 13 9.584 -3.760 7.408 1.00 0.00 H new ATOM 0 HG23 ILE B 13 10.850 -3.037 6.387 1.00 0.00 H new ATOM 0 HD11 ILE B 13 11.099 1.382 8.350 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.381 1.043 8.036 1.00 0.00 H new ATOM 0 HD13 ILE B 13 10.209 0.251 9.398 1.00 0.00 H new ATOM 205 N ASN B 14 6.773 -1.688 7.851 1.00 0.00 N ATOM 206 CA ASN B 14 5.585 -2.315 8.402 1.00 0.00 C ATOM 207 C ASN B 14 4.354 -1.468 8.132 1.00 0.00 C ATOM 208 O ASN B 14 3.226 -1.965 8.169 1.00 0.00 O ATOM 209 CB ASN B 14 5.748 -2.491 9.903 1.00 0.00 C ATOM 210 CG ASN B 14 6.965 -3.315 10.271 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.889 -4.539 10.387 1.00 0.00 O ATOM 212 ND2 ASN B 14 8.097 -2.654 10.459 1.00 0.00 N ATOM 0 H ASN B 14 7.096 -0.872 8.371 1.00 0.00 H new ATOM 0 HA ASN B 14 5.457 -3.286 7.924 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.824 -1.510 10.373 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.856 -2.970 10.307 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.947 -3.159 10.709 1.00 0.00 H new ATOM 0 HD22 ASN B 14 8.119 -1.640 10.353 1.00 0.00 H new ATOM 219 N SER B 15 4.586 -0.187 7.866 1.00 0.00 N ATOM 220 CA SER B 15 3.516 0.776 7.680 1.00 0.00 C ATOM 221 C SER B 15 2.528 0.303 6.620 1.00 0.00 C ATOM 222 O SER B 15 1.326 0.459 6.785 1.00 0.00 O ATOM 223 CB SER B 15 4.095 2.141 7.297 1.00 0.00 C ATOM 224 OG SER B 15 3.082 3.129 7.214 1.00 0.00 O ATOM 0 H SER B 15 5.522 0.209 7.774 1.00 0.00 H new ATOM 0 HA SER B 15 2.977 0.871 8.623 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.839 2.442 8.035 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.609 2.064 6.339 1.00 0.00 H new ATOM 0 HG SER B 15 3.483 3.989 6.969 1.00 0.00 H new ATOM 230 N VAL B 16 3.039 -0.318 5.560 1.00 0.00 N ATOM 231 CA VAL B 16 2.192 -0.748 4.444 1.00 0.00 C ATOM 232 C VAL B 16 1.084 -1.681 4.920 1.00 0.00 C ATOM 233 O VAL B 16 -0.072 -1.556 4.507 1.00 0.00 O ATOM 234 CB VAL B 16 3.003 -1.465 3.342 1.00 0.00 C ATOM 235 CG1 VAL B 16 2.094 -1.925 2.212 1.00 0.00 C ATOM 236 CG2 VAL B 16 4.095 -0.563 2.802 1.00 0.00 C ATOM 0 H VAL B 16 4.029 -0.535 5.448 1.00 0.00 H new ATOM 0 HA VAL B 16 1.756 0.159 4.026 1.00 0.00 H new ATOM 0 HB VAL B 16 3.469 -2.343 3.789 1.00 0.00 H new ATOM 0 HG11 VAL B 16 2.688 -2.427 1.448 1.00 0.00 H new ATOM 0 HG12 VAL B 16 1.348 -2.616 2.604 1.00 0.00 H new ATOM 0 HG13 VAL B 16 1.594 -1.062 1.773 1.00 0.00 H new ATOM 0 HG21 VAL B 16 4.652 -1.090 2.027 1.00 0.00 H new ATOM 0 HG22 VAL B 16 3.648 0.337 2.379 1.00 0.00 H new ATOM 0 HG23 VAL B 16 4.771 -0.286 3.611 1.00 0.00 H new ATOM 246 N ASN B 17 1.441 -2.596 5.815 1.00 0.00 N ATOM 247 CA ASN B 17 0.506 -3.599 6.303 1.00 0.00 C ATOM 248 C ASN B 17 -0.596 -2.950 7.127 1.00 0.00 C ATOM 249 O ASN B 17 -1.766 -3.304 7.006 1.00 0.00 O ATOM 250 CB ASN B 17 1.240 -4.645 7.148 1.00 0.00 C ATOM 251 CG ASN B 17 0.357 -5.811 7.568 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.473 -6.317 8.685 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.504 -6.271 6.671 1.00 0.00 N ATOM 0 H ASN B 17 2.376 -2.662 6.218 1.00 0.00 H new ATOM 0 HA ASN B 17 0.055 -4.091 5.442 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.089 -5.028 6.582 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.642 -4.164 8.040 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.098 -7.069 6.896 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.573 -5.827 5.755 1.00 0.00 H new ATOM 260 N ASP B 18 -0.214 -1.991 7.957 1.00 0.00 N ATOM 261 CA ASP B 18 -1.161 -1.295 8.813 1.00 0.00 C ATOM 262 C ASP B 18 -1.977 -0.284 8.016 1.00 0.00 C ATOM 263 O ASP B 18 -3.175 -0.123 8.245 1.00 0.00 O ATOM 264 CB ASP B 18 -0.416 -0.587 9.943 1.00 0.00 C ATOM 265 CG ASP B 18 -0.743 -1.159 11.306 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.075 -2.131 11.725 1.00 0.00 O ATOM 267 OD2 ASP B 18 -1.658 -0.637 11.974 1.00 0.00 O1- ATOM 0 H ASP B 18 0.751 -1.676 8.056 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.846 -2.030 9.235 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.657 -0.664 9.769 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.666 0.474 9.929 1.00 0.00 H new ATOM 272 N LYS B 19 -1.316 0.388 7.081 1.00 0.00 N ATOM 273 CA LYS B 19 -1.952 1.415 6.259 1.00 0.00 C ATOM 274 C LYS B 19 -3.146 0.887 5.485 1.00 0.00 C ATOM 275 O LYS B 19 -4.280 1.300 5.714 1.00 0.00 O ATOM 276 CB LYS B 19 -0.940 2.009 5.279 1.00 0.00 C ATOM 277 CG LYS B 19 -0.011 3.017 5.920 1.00 0.00 C ATOM 278 CD LYS B 19 -0.815 4.086 6.616 1.00 0.00 C ATOM 279 CE LYS B 19 -0.808 3.894 8.126 1.00 0.00 C ATOM 280 NZ LYS B 19 -1.643 4.910 8.820 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.329 0.239 6.871 1.00 0.00 H new ATOM 0 HA LYS B 19 -2.313 2.184 6.942 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -0.348 1.203 4.845 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.476 2.488 4.459 1.00 0.00 H new ATOM 0 HG2 LYS B 19 0.643 2.518 6.635 1.00 0.00 H new ATOM 0 HG3 LYS B 19 0.630 3.467 5.162 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -0.408 5.067 6.371 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -1.842 4.067 6.250 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -1.176 2.897 8.366 1.00 0.00 H new ATOM 0 HE3 LYS B 19 0.216 3.953 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -1.611 4.744 9.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -1.277 5.861 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.626 4.837 8.488 1.00 0.00 H new ATOM 294 N LEU B 20 -2.863 -0.004 4.558 1.00 0.00 N ATOM 295 CA LEU B 20 -3.888 -0.599 3.697 1.00 0.00 C ATOM 296 C LEU B 20 -4.969 -1.334 4.502 1.00 0.00 C ATOM 297 O LEU B 20 -6.097 -1.501 4.033 1.00 0.00 O ATOM 298 CB LEU B 20 -3.242 -1.551 2.684 1.00 0.00 C ATOM 299 CG LEU B 20 -2.464 -0.881 1.552 1.00 0.00 C ATOM 300 CD1 LEU B 20 -1.709 -1.912 0.731 1.00 0.00 C ATOM 301 CD2 LEU B 20 -3.403 -0.100 0.661 1.00 0.00 C ATOM 0 H LEU B 20 -1.919 -0.342 4.373 1.00 0.00 H new ATOM 0 HA LEU B 20 -4.378 0.217 3.166 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.567 -2.219 3.219 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.024 -2.172 2.246 1.00 0.00 H new ATOM 0 HG LEU B 20 -1.742 -0.196 1.996 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.163 -1.411 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.006 -2.444 1.372 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.415 -2.621 0.299 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.835 0.372 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.144 -0.775 0.233 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.908 0.667 1.248 1.00 0.00 H new ATOM 313 N ASN B 21 -4.637 -1.748 5.718 1.00 0.00 N ATOM 314 CA ASN B 21 -5.578 -2.476 6.560 1.00 0.00 C ATOM 315 C ASN B 21 -6.444 -1.512 7.357 1.00 0.00 C ATOM 316 O ASN B 21 -6.199 -1.243 8.534 1.00 0.00 O ATOM 317 CB ASN B 21 -4.839 -3.427 7.496 1.00 0.00 C ATOM 318 CG ASN B 21 -5.769 -4.330 8.279 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.136 -5.411 7.818 1.00 0.00 O ATOM 320 ND2 ASN B 21 -6.152 -3.904 9.467 1.00 0.00 N ATOM 0 H ASN B 21 -3.723 -1.592 6.144 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.227 -3.066 5.912 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.152 -4.040 6.913 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.235 -2.846 8.192 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -6.774 -4.477 10.038 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -5.826 -3.002 9.815 1.00 0.00 H new ATOM 327 N LYS B 22 -7.447 -0.985 6.690 1.00 0.00 N ATOM 328 CA LYS B 22 -8.406 -0.078 7.316 1.00 0.00 C ATOM 329 C LYS B 22 -9.813 -0.649 7.257 1.00 0.00 C ATOM 330 O LYS B 22 -10.782 0.079 7.047 1.00 0.00 O ATOM 331 CB LYS B 22 -8.385 1.283 6.633 1.00 0.00 C ATOM 332 CG LYS B 22 -7.062 2.000 6.757 1.00 0.00 C ATOM 333 CD LYS B 22 -7.107 3.371 6.101 1.00 0.00 C ATOM 334 CE LYS B 22 -8.092 4.294 6.804 1.00 0.00 C ATOM 335 NZ LYS B 22 -7.719 4.527 8.222 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.627 -1.167 5.703 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.115 0.039 8.360 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.622 1.154 5.577 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -9.169 1.908 7.061 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.803 2.108 7.810 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -6.277 1.400 6.296 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -6.113 3.817 6.119 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -7.390 3.265 5.054 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -8.134 5.248 6.278 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -9.091 3.861 6.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -8.275 5.320 8.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -7.915 3.670 8.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.706 4.754 8.282 1.00 0.00 H new ATOM 349 N GLY B 23 -9.915 -1.955 7.420 1.00 0.00 N ATOM 350 CA GLY B 23 -11.211 -2.606 7.380 1.00 0.00 C ATOM 351 C GLY B 23 -11.713 -2.717 5.966 1.00 0.00 C ATOM 352 O GLY B 23 -12.762 -2.172 5.619 1.00 0.00 O ATOM 0 H GLY B 23 -9.125 -2.580 7.580 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.137 -3.599 7.823 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.925 -2.042 7.980 1.00 0.00 H new ATOM 356 N LYS B 24 -10.942 -3.398 5.137 1.00 0.00 N ATOM 357 CA LYS B 24 -11.268 -3.537 3.735 1.00 0.00 C ATOM 358 C LYS B 24 -11.300 -5.002 3.363 1.00 0.00 C ATOM 359 O LYS B 24 -11.351 -5.864 4.237 1.00 0.00 O ATOM 360 CB LYS B 24 -10.235 -2.815 2.873 1.00 0.00 C ATOM 361 CG LYS B 24 -9.888 -1.426 3.367 1.00 0.00 C ATOM 362 CD LYS B 24 -11.095 -0.498 3.375 1.00 0.00 C ATOM 363 CE LYS B 24 -10.735 0.854 3.961 1.00 0.00 C ATOM 364 NZ LYS B 24 -11.868 1.806 3.918 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.080 -3.866 5.417 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.247 -3.092 3.558 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.325 -3.414 2.835 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.613 -2.744 1.853 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -9.477 -1.493 4.374 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.110 -1.001 2.733 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.467 -0.371 2.359 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.900 -0.948 3.956 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -10.411 0.725 4.994 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.891 1.272 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -11.528 2.761 4.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -12.282 1.810 2.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -12.591 1.517 4.607 1.00 0.00 H new ATOM 378 N GLY B 25 -11.247 -5.277 2.070 1.00 0.00 N ATOM 379 CA GLY B 25 -11.268 -6.650 1.608 1.00 0.00 C ATOM 380 C GLY B 25 -10.185 -7.473 2.284 1.00 0.00 C ATOM 381 O GLY B 25 -9.078 -6.977 2.486 1.00 0.00 O ATOM 0 H GLY B 25 -11.190 -4.576 1.332 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.244 -7.090 1.812 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.127 -6.675 0.528 1.00 0.00 H new ATOM 385 N LYS B 26 -10.505 -8.714 2.646 1.00 0.00 N ATOM 386 CA LYS B 26 -9.569 -9.561 3.382 1.00 0.00 C ATOM 387 C LYS B 26 -8.325 -9.798 2.553 1.00 0.00 C ATOM 388 O LYS B 26 -8.359 -10.536 1.576 1.00 0.00 O ATOM 389 CB LYS B 26 -10.206 -10.902 3.727 1.00 0.00 C ATOM 390 CG LYS B 26 -11.544 -10.784 4.430 1.00 0.00 C ATOM 391 CD LYS B 26 -11.927 -12.096 5.091 1.00 0.00 C ATOM 392 CE LYS B 26 -12.063 -13.218 4.074 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.419 -14.509 4.716 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.402 -9.154 2.442 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.304 -9.049 4.307 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -10.338 -11.477 2.810 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.522 -11.466 4.361 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.497 -9.995 5.180 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.312 -10.496 3.712 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.173 -12.365 5.831 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.869 -11.973 5.626 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.827 -12.954 3.342 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.125 -13.330 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.502 -15.247 3.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.678 -14.775 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.327 -14.410 5.214 1.00 0.00 H new ATOM 407 N LEU B 27 -7.237 -9.178 2.952 1.00 0.00 N ATOM 408 CA LEU B 27 -6.072 -9.100 2.146 1.00 0.00 C ATOM 409 C LEU B 27 -4.864 -9.634 2.924 1.00 0.00 C ATOM 410 O LEU B 27 -4.572 -9.165 4.025 1.00 0.00 O ATOM 411 CB LEU B 27 -5.913 -7.631 1.768 1.00 0.00 C ATOM 412 CG LEU B 27 -4.766 -7.334 0.853 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.038 -7.883 -0.538 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.486 -5.839 0.796 1.00 0.00 C ATOM 0 H LEU B 27 -7.150 -8.714 3.856 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.149 -9.709 1.245 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.834 -7.292 1.294 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.791 -7.048 2.681 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.879 -7.827 1.251 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.194 -7.658 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.176 -8.963 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.940 -7.423 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.648 -5.651 0.124 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.370 -5.317 0.429 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.239 -5.477 1.794 1.00 0.00 H new ATOM 426 N SER B 28 -4.198 -10.644 2.373 1.00 0.00 N ATOM 427 CA SER B 28 -3.030 -11.251 3.018 1.00 0.00 C ATOM 428 C SER B 28 -1.741 -10.746 2.376 1.00 0.00 C ATOM 429 O SER B 28 -1.351 -11.214 1.304 1.00 0.00 O ATOM 430 CB SER B 28 -3.103 -12.774 2.907 1.00 0.00 C ATOM 431 OG SER B 28 -4.340 -13.260 3.393 1.00 0.00 O ATOM 0 H SER B 28 -4.446 -11.064 1.477 1.00 0.00 H new ATOM 0 HA SER B 28 -3.030 -10.968 4.071 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.974 -13.073 1.867 1.00 0.00 H new ATOM 0 HB3 SER B 28 -2.285 -13.223 3.471 1.00 0.00 H new ATOM 0 HG SER B 28 -4.363 -14.236 3.310 1.00 0.00 H new ATOM 437 N LEU B 29 -1.073 -9.811 3.041 1.00 0.00 N ATOM 438 CA LEU B 29 0.056 -9.104 2.447 1.00 0.00 C ATOM 439 C LEU B 29 1.382 -9.792 2.722 1.00 0.00 C ATOM 440 O LEU B 29 1.572 -10.461 3.738 1.00 0.00 O ATOM 441 CB LEU B 29 0.154 -7.658 2.953 1.00 0.00 C ATOM 442 CG LEU B 29 -0.999 -6.715 2.572 1.00 0.00 C ATOM 443 CD1 LEU B 29 -2.305 -7.177 3.175 1.00 0.00 C ATOM 444 CD2 LEU B 29 -0.698 -5.293 3.015 1.00 0.00 C ATOM 0 H LEU B 29 -1.294 -9.524 3.994 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.134 -9.109 1.374 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.229 -7.682 4.040 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.083 -7.228 2.579 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.096 -6.734 1.486 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -3.101 -6.490 2.888 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.540 -8.177 2.811 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.217 -7.197 4.261 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.526 -4.642 2.736 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -0.566 -5.269 4.097 1.00 0.00 H new ATOM 0 HD23 LEU B 29 0.215 -4.947 2.531 1.00 0.00 H new ATOM 456 N SER B 30 2.283 -9.597 1.788 1.00 0.00 N ATOM 457 CA SER B 30 3.654 -10.026 1.879 1.00 0.00 C ATOM 458 C SER B 30 4.513 -9.005 1.147 1.00 0.00 C ATOM 459 O SER B 30 4.045 -8.381 0.190 1.00 0.00 O ATOM 460 CB SER B 30 3.812 -11.398 1.239 1.00 0.00 C ATOM 461 OG SER B 30 3.291 -11.413 -0.081 1.00 0.00 O ATOM 0 H SER B 30 2.071 -9.118 0.913 1.00 0.00 H new ATOM 0 HA SER B 30 3.961 -10.099 2.922 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.866 -11.674 1.219 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.298 -12.145 1.844 1.00 0.00 H new ATOM 0 HG SER B 30 2.506 -10.828 -0.130 1.00 0.00 H new ATOM 467 N MET B 31 5.749 -8.821 1.572 1.00 0.00 N ATOM 468 CA MET B 31 6.588 -7.795 0.973 1.00 0.00 C ATOM 469 C MET B 31 7.853 -8.382 0.368 1.00 0.00 C ATOM 470 O MET B 31 8.249 -9.505 0.681 1.00 0.00 O ATOM 471 CB MET B 31 6.937 -6.717 1.996 1.00 0.00 C ATOM 472 CG MET B 31 5.715 -5.999 2.545 1.00 0.00 C ATOM 473 SD MET B 31 6.134 -4.567 3.555 1.00 0.00 S ATOM 474 CE MET B 31 6.900 -3.496 2.339 1.00 0.00 C ATOM 0 H MET B 31 6.191 -9.358 2.318 1.00 0.00 H new ATOM 0 HA MET B 31 6.016 -7.339 0.165 1.00 0.00 H new ATOM 0 HB2 MET B 31 7.485 -7.171 2.821 1.00 0.00 H new ATOM 0 HB3 MET B 31 7.603 -5.988 1.534 1.00 0.00 H new ATOM 0 HG2 MET B 31 5.085 -5.679 1.715 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.127 -6.697 3.141 1.00 0.00 H new ATOM 0 HE1 MET B 31 6.858 -2.463 2.686 1.00 0.00 H new ATOM 0 HE2 MET B 31 7.940 -3.790 2.199 1.00 0.00 H new ATOM 0 HE3 MET B 31 6.368 -3.583 1.391 1.00 0.00 H new ATOM 484 N ASN B 32 8.456 -7.608 -0.519 1.00 0.00 N ATOM 485 CA ASN B 32 9.686 -7.994 -1.203 1.00 0.00 C ATOM 486 C ASN B 32 10.369 -6.735 -1.722 1.00 0.00 C ATOM 487 O ASN B 32 9.914 -6.146 -2.702 1.00 0.00 O ATOM 488 CB ASN B 32 9.369 -8.940 -2.366 1.00 0.00 C ATOM 489 CG ASN B 32 10.618 -9.447 -3.061 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.121 -8.821 -3.993 1.00 0.00 O ATOM 491 ND2 ASN B 32 11.121 -10.587 -2.621 1.00 0.00 N ATOM 0 H ASN B 32 8.107 -6.688 -0.789 1.00 0.00 H new ATOM 0 HA ASN B 32 10.347 -8.514 -0.510 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.795 -9.788 -1.994 1.00 0.00 H new ATOM 0 HB3 ASN B 32 8.739 -8.422 -3.090 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.956 -10.978 -3.057 1.00 0.00 H new ATOM 0 HD22 ASN B 32 10.674 -11.076 -1.845 1.00 0.00 H new ATOM 498 N GLY B 33 11.441 -6.310 -1.063 1.00 0.00 N ATOM 499 CA GLY B 33 11.997 -5.000 -1.353 1.00 0.00 C ATOM 500 C GLY B 33 11.082 -3.934 -0.815 1.00 0.00 C ATOM 501 O GLY B 33 11.111 -3.617 0.377 1.00 0.00 O ATOM 0 H GLY B 33 11.930 -6.840 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.986 -4.906 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.123 -4.877 -2.429 1.00 0.00 H new ATOM 505 N ASN B 34 10.253 -3.399 -1.686 1.00 0.00 N ATOM 506 CA ASN B 34 9.155 -2.551 -1.271 1.00 0.00 C ATOM 507 C ASN B 34 7.909 -2.913 -2.059 1.00 0.00 C ATOM 508 O ASN B 34 6.968 -2.126 -2.155 1.00 0.00 O ATOM 509 CB ASN B 34 9.487 -1.067 -1.438 1.00 0.00 C ATOM 510 CG ASN B 34 10.433 -0.558 -0.365 1.00 0.00 C ATOM 511 OD1 ASN B 34 11.652 -0.569 -0.532 1.00 0.00 O ATOM 512 ND2 ASN B 34 9.877 -0.106 0.750 1.00 0.00 N ATOM 0 H ASN B 34 10.320 -3.538 -2.694 1.00 0.00 H new ATOM 0 HA ASN B 34 8.976 -2.720 -0.209 1.00 0.00 H new ATOM 0 HB2 ASN B 34 9.935 -0.906 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN B 34 8.565 -0.486 -1.410 1.00 0.00 H new ATOM 0 HD21 ASN B 34 10.464 0.248 1.505 1.00 0.00 H new ATOM 0 HD22 ASN B 34 8.862 -0.112 0.853 1.00 0.00 H new ATOM 519 N GLN B 35 7.907 -4.118 -2.628 1.00 0.00 N ATOM 520 CA GLN B 35 6.742 -4.616 -3.332 1.00 0.00 C ATOM 521 C GLN B 35 5.709 -5.090 -2.344 1.00 0.00 C ATOM 522 O GLN B 35 6.035 -5.484 -1.221 1.00 0.00 O ATOM 523 CB GLN B 35 7.091 -5.775 -4.261 1.00 0.00 C ATOM 524 CG GLN B 35 8.098 -5.423 -5.329 1.00 0.00 C ATOM 525 CD GLN B 35 8.379 -6.575 -6.268 1.00 0.00 C ATOM 526 OE1 GLN B 35 7.718 -6.728 -7.294 1.00 0.00 O ATOM 527 NE2 GLN B 35 9.355 -7.397 -5.921 1.00 0.00 N ATOM 0 H GLN B 35 8.699 -4.760 -2.612 1.00 0.00 H new ATOM 0 HA GLN B 35 6.352 -3.794 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.482 -6.600 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.179 -6.131 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.730 -4.573 -5.903 1.00 0.00 H new ATOM 0 HG3 GLN B 35 9.029 -5.110 -4.856 1.00 0.00 H new ATOM 0 HE21 GLN B 35 9.878 -7.233 -5.061 1.00 0.00 H new ATOM 0 HE22 GLN B 35 9.585 -8.195 -6.513 1.00 0.00 H new ATOM 536 N LEU B 36 4.472 -5.082 -2.775 1.00 0.00 N ATOM 537 CA LEU B 36 3.391 -5.544 -1.945 1.00 0.00 C ATOM 538 C LEU B 36 2.603 -6.597 -2.695 1.00 0.00 C ATOM 539 O LEU B 36 2.031 -6.338 -3.750 1.00 0.00 O ATOM 540 CB LEU B 36 2.493 -4.377 -1.531 1.00 0.00 C ATOM 541 CG LEU B 36 1.601 -4.624 -0.307 1.00 0.00 C ATOM 542 CD1 LEU B 36 0.370 -5.436 -0.683 1.00 0.00 C ATOM 543 CD2 LEU B 36 2.389 -5.330 0.787 1.00 0.00 C ATOM 0 H LEU B 36 4.189 -4.759 -3.700 1.00 0.00 H new ATOM 0 HA LEU B 36 3.796 -5.985 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.124 -3.511 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU B 36 1.855 -4.116 -2.376 1.00 0.00 H new ATOM 0 HG LEU B 36 1.266 -3.658 0.069 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -0.245 -5.596 0.203 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -0.208 -4.895 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.679 -6.399 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.744 -5.499 1.649 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.753 -6.287 0.413 1.00 0.00 H new ATOM 0 HD23 LEU B 36 3.236 -4.711 1.083 1.00 0.00 H new ATOM 555 N LYS B 37 2.608 -7.791 -2.153 1.00 0.00 N ATOM 556 CA LYS B 37 1.915 -8.905 -2.759 1.00 0.00 C ATOM 557 C LYS B 37 0.892 -9.433 -1.777 1.00 0.00 C ATOM 558 O LYS B 37 1.201 -9.634 -0.608 1.00 0.00 O ATOM 559 CB LYS B 37 2.898 -10.008 -3.147 1.00 0.00 C ATOM 560 CG LYS B 37 4.334 -9.511 -3.303 1.00 0.00 C ATOM 561 CD LYS B 37 5.241 -10.525 -3.976 1.00 0.00 C ATOM 562 CE LYS B 37 5.215 -11.881 -3.281 1.00 0.00 C ATOM 563 NZ LYS B 37 5.645 -11.804 -1.859 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.090 -8.019 -1.283 1.00 0.00 H new ATOM 0 HA LYS B 37 1.416 -8.570 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.872 -10.791 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS B 37 2.574 -10.461 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS B 37 4.333 -8.590 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.737 -9.267 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS B 37 4.936 -10.647 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.262 -10.144 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.206 -12.291 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.866 -12.572 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 6.137 -12.682 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.288 -10.996 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 4.811 -11.680 -1.250 1.00 0.00 H new ATOM 577 N ALA B 38 -0.315 -9.658 -2.241 1.00 0.00 N ATOM 578 CA ALA B 38 -1.413 -9.960 -1.342 1.00 0.00 C ATOM 579 C ALA B 38 -2.597 -10.588 -2.068 1.00 0.00 C ATOM 580 O ALA B 38 -2.827 -10.316 -3.246 1.00 0.00 O ATOM 581 CB ALA B 38 -1.844 -8.687 -0.638 1.00 0.00 C ATOM 0 H ALA B 38 -0.565 -9.639 -3.230 1.00 0.00 H new ATOM 0 HA ALA B 38 -1.063 -10.692 -0.614 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.669 -8.907 0.039 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -1.006 -8.284 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.167 -7.954 -1.377 1.00 0.00 H new ATOM 587 N THR B 39 -3.342 -11.422 -1.351 1.00 0.00 N ATOM 588 CA THR B 39 -4.544 -12.047 -1.881 1.00 0.00 C ATOM 589 C THR B 39 -5.761 -11.492 -1.154 1.00 0.00 C ATOM 590 O THR B 39 -5.662 -11.146 0.022 1.00 0.00 O ATOM 591 CB THR B 39 -4.484 -13.573 -1.711 1.00 0.00 C ATOM 592 OG1 THR B 39 -4.084 -13.896 -0.372 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.509 -14.193 -2.698 1.00 0.00 C ATOM 0 H THR B 39 -3.129 -11.682 -0.388 1.00 0.00 H new ATOM 0 HA THR B 39 -4.618 -11.825 -2.946 1.00 0.00 H new ATOM 0 HB THR B 39 -5.477 -13.978 -1.906 1.00 0.00 H new ATOM 0 HG1 THR B 39 -4.049 -14.870 -0.267 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.486 -15.274 -2.556 1.00 0.00 H new ATOM 0 HG22 THR B 39 -3.828 -13.967 -3.715 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.513 -13.784 -2.531 1.00 0.00 H new ATOM 601 N SER B 40 -6.900 -11.395 -1.831 1.00 0.00 N ATOM 602 CA SER B 40 -8.033 -10.690 -1.257 1.00 0.00 C ATOM 603 C SER B 40 -9.365 -11.425 -1.392 1.00 0.00 C ATOM 604 O SER B 40 -9.617 -12.137 -2.369 1.00 0.00 O ATOM 605 CB SER B 40 -8.144 -9.318 -1.905 1.00 0.00 C ATOM 606 OG SER B 40 -7.993 -9.401 -3.314 1.00 0.00 O ATOM 0 H SER B 40 -7.059 -11.788 -2.759 1.00 0.00 H new ATOM 0 HA SER B 40 -7.839 -10.614 -0.187 1.00 0.00 H new ATOM 0 HB2 SER B 40 -9.112 -8.877 -1.666 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.382 -8.656 -1.494 1.00 0.00 H new ATOM 0 HG SER B 40 -7.766 -8.517 -3.671 1.00 0.00 H new ATOM 612 N SER B 41 -10.202 -11.238 -0.380 1.00 0.00 N ATOM 613 CA SER B 41 -11.602 -11.623 -0.427 1.00 0.00 C ATOM 614 C SER B 41 -12.453 -10.368 -0.251 1.00 0.00 C ATOM 615 O SER B 41 -11.948 -9.331 0.176 1.00 0.00 O ATOM 616 CB SER B 41 -11.913 -12.649 0.662 1.00 0.00 C ATOM 617 OG SER B 41 -13.275 -13.040 0.632 1.00 0.00 O ATOM 0 H SER B 41 -9.923 -10.811 0.503 1.00 0.00 H new ATOM 0 HA SER B 41 -11.828 -12.087 -1.387 1.00 0.00 H new ATOM 0 HB2 SER B 41 -11.279 -13.525 0.530 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.675 -12.228 1.639 1.00 0.00 H new ATOM 0 HG SER B 41 -13.442 -13.698 1.339 1.00 0.00 H new ATOM 623 N ASN B 42 -13.735 -10.459 -0.560 1.00 0.00 N ATOM 624 CA ASN B 42 -14.590 -9.279 -0.586 1.00 0.00 C ATOM 625 C ASN B 42 -15.647 -9.342 0.501 1.00 0.00 C ATOM 626 O ASN B 42 -16.655 -8.635 0.452 1.00 0.00 O ATOM 627 CB ASN B 42 -15.253 -9.120 -1.957 1.00 0.00 C ATOM 628 CG ASN B 42 -14.246 -8.917 -3.072 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.838 -9.867 -3.742 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.824 -7.681 -3.265 1.00 0.00 N ATOM 0 H ASN B 42 -14.207 -11.332 -0.796 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.959 -8.410 -0.399 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -15.853 -10.005 -2.171 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.936 -8.271 -1.930 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -13.135 -7.485 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.187 -6.922 -2.688 1.00 0.00 H new ATOM 637 N ALA B 43 -15.403 -10.186 1.487 1.00 0.00 N ATOM 638 CA ALA B 43 -16.356 -10.393 2.573 1.00 0.00 C ATOM 639 C ALA B 43 -16.532 -9.147 3.428 1.00 0.00 C ATOM 640 O ALA B 43 -17.617 -8.572 3.502 1.00 0.00 O ATOM 641 CB ALA B 43 -15.903 -11.550 3.440 1.00 0.00 C ATOM 0 H ALA B 43 -14.552 -10.743 1.562 1.00 0.00 H new ATOM 0 HA ALA B 43 -17.322 -10.621 2.122 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -16.618 -11.700 4.249 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -15.843 -12.455 2.836 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -14.922 -11.328 3.859 1.00 0.00 H new ATOM 647 N GLY B 44 -15.451 -8.725 4.039 1.00 0.00 N ATOM 648 CA GLY B 44 -15.496 -7.590 4.940 1.00 0.00 C ATOM 649 C GLY B 44 -14.781 -6.391 4.373 1.00 0.00 C ATOM 650 O GLY B 44 -13.896 -5.832 5.014 1.00 0.00 O ATOM 0 H GLY B 44 -14.529 -9.147 3.931 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -16.535 -7.330 5.144 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -15.043 -7.865 5.893 1.00 0.00 H new ATOM 654 N TYR B 45 -15.174 -6.009 3.166 1.00 0.00 N ATOM 655 CA TYR B 45 -14.556 -4.893 2.439 1.00 0.00 C ATOM 656 C TYR B 45 -14.752 -3.544 3.165 1.00 0.00 C ATOM 657 O TYR B 45 -15.124 -3.510 4.334 1.00 0.00 O ATOM 658 CB TYR B 45 -15.145 -4.833 1.022 1.00 0.00 C ATOM 659 CG TYR B 45 -16.543 -4.226 0.944 1.00 0.00 C ATOM 660 CD1 TYR B 45 -17.462 -4.383 1.981 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.933 -3.482 -0.162 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.716 -3.814 1.919 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.190 -2.914 -0.232 1.00 0.00 C ATOM 664 CZ TYR B 45 -19.077 -3.080 0.811 1.00 0.00 C ATOM 665 OH TYR B 45 -20.327 -2.506 0.746 1.00 0.00 O ATOM 0 H TYR B 45 -15.933 -6.462 2.656 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.481 -5.069 2.390 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.475 -4.253 0.388 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -15.177 -5.843 0.612 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -17.186 -4.962 2.850 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.242 -3.345 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -19.412 -3.943 2.735 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.478 -2.341 -1.101 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.634 -2.288 1.651 1.00 0.00 H new ATOM 675 N GLY B 46 -14.499 -2.428 2.475 1.00 0.00 N ATOM 676 CA GLY B 46 -14.749 -1.135 3.069 1.00 0.00 C ATOM 677 C GLY B 46 -16.232 -0.876 3.208 1.00 0.00 C ATOM 678 O GLY B 46 -16.923 -0.640 2.212 1.00 0.00 O ATOM 0 H GLY B 46 -14.129 -2.404 1.525 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -14.275 -1.084 4.049 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.297 -0.356 2.455 1.00 0.00 H new ATOM 682 N ILE B 47 -16.723 -0.945 4.438 1.00 0.00 N ATOM 683 CA ILE B 47 -18.147 -0.799 4.702 1.00 0.00 C ATOM 684 C ILE B 47 -18.611 0.597 4.318 1.00 0.00 C ATOM 685 O ILE B 47 -19.369 0.773 3.362 1.00 0.00 O ATOM 686 CB ILE B 47 -18.494 -1.044 6.187 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.628 -2.158 6.783 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.971 -1.383 6.335 1.00 0.00 C ATOM 689 CD1 ILE B 47 -17.662 -3.463 6.015 1.00 0.00 C ATOM 0 H ILE B 47 -16.154 -1.102 5.270 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.658 -1.551 4.101 1.00 0.00 H new ATOM 0 HB ILE B 47 -18.285 -0.127 6.738 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -16.597 -1.809 6.836 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.954 -2.345 7.806 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.202 -1.553 7.387 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -20.574 -0.555 5.961 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -20.197 -2.283 5.764 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -17.021 -4.193 6.509 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -18.684 -3.840 5.984 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -17.306 -3.296 4.998 1.00 0.00 H new ATOM 701 N SER B 48 -18.155 1.587 5.068 1.00 0.00 N ATOM 702 CA SER B 48 -18.465 2.959 4.769 1.00 0.00 C ATOM 703 C SER B 48 -17.194 3.785 4.589 1.00 0.00 C ATOM 704 O SER B 48 -16.655 3.861 3.483 1.00 0.00 O ATOM 705 CB SER B 48 -19.341 3.524 5.876 1.00 0.00 C ATOM 706 OG SER B 48 -20.546 2.785 5.989 1.00 0.00 O ATOM 0 H SER B 48 -17.566 1.456 5.891 1.00 0.00 H new ATOM 0 HA SER B 48 -19.009 3.007 3.826 1.00 0.00 H new ATOM 0 HB2 SER B 48 -18.802 3.497 6.823 1.00 0.00 H new ATOM 0 HB3 SER B 48 -19.568 4.570 5.669 1.00 0.00 H new ATOM 0 HG SER B 48 -21.095 3.163 6.707 1.00 0.00 H new ATOM 712 N TYR B 49 -16.706 4.376 5.683 1.00 0.00 N ATOM 713 CA TYR B 49 -15.504 5.210 5.663 1.00 0.00 C ATOM 714 C TYR B 49 -15.637 6.350 4.661 1.00 0.00 C ATOM 715 O TYR B 49 -14.650 6.783 4.063 1.00 0.00 O ATOM 716 CB TYR B 49 -14.278 4.376 5.323 1.00 0.00 C ATOM 717 CG TYR B 49 -14.056 3.211 6.256 1.00 0.00 C ATOM 718 CD1 TYR B 49 -13.605 3.408 7.553 1.00 0.00 C ATOM 719 CD2 TYR B 49 -14.313 1.912 5.840 1.00 0.00 C ATOM 720 CE1 TYR B 49 -13.413 2.341 8.408 1.00 0.00 C ATOM 721 CE2 TYR B 49 -14.127 0.841 6.686 1.00 0.00 C ATOM 722 CZ TYR B 49 -13.674 1.060 7.973 1.00 0.00 C ATOM 723 OH TYR B 49 -13.483 -0.003 8.828 1.00 0.00 O ATOM 0 H TYR B 49 -17.133 4.289 6.605 1.00 0.00 H new ATOM 0 HA TYR B 49 -15.386 5.635 6.660 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -14.377 4.000 4.305 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -13.397 5.018 5.342 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -13.401 4.411 7.899 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -14.665 1.738 4.834 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -13.059 2.510 9.414 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -14.334 -0.163 6.346 1.00 0.00 H new ATOM 0 HH TYR B 49 -13.713 -0.838 8.369 1.00 0.00 H new ATOM 733 N GLU B 50 -16.869 6.838 4.533 1.00 0.00 N ATOM 734 CA GLU B 50 -17.250 7.875 3.565 1.00 0.00 C ATOM 735 C GLU B 50 -16.473 7.785 2.253 1.00 0.00 C ATOM 736 O GLU B 50 -16.671 6.865 1.454 1.00 0.00 O ATOM 737 CB GLU B 50 -17.118 9.281 4.159 1.00 0.00 C ATOM 738 CG GLU B 50 -16.026 9.410 5.200 1.00 0.00 C ATOM 739 CD GLU B 50 -15.591 10.840 5.422 1.00 0.00 C ATOM 740 OE1 GLU B 50 -16.411 11.653 5.889 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -14.427 11.159 5.112 1.00 0.00 O ATOM 0 H GLU B 50 -17.649 6.520 5.109 1.00 0.00 H new ATOM 0 HA GLU B 50 -18.299 7.687 3.334 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.922 9.988 3.353 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -18.070 9.565 4.608 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -16.379 8.992 6.143 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -15.165 8.817 4.891 1.00 0.00 H new ATOM 748 N ASP B 51 -15.594 8.752 2.044 1.00 0.00 N ATOM 749 CA ASP B 51 -14.749 8.793 0.865 1.00 0.00 C ATOM 750 C ASP B 51 -13.440 9.492 1.193 1.00 0.00 C ATOM 751 O ASP B 51 -13.414 10.696 1.441 1.00 0.00 O ATOM 752 CB ASP B 51 -15.470 9.537 -0.248 1.00 0.00 C ATOM 753 CG ASP B 51 -14.785 9.409 -1.593 1.00 0.00 C ATOM 754 OD1 ASP B 51 -13.774 10.102 -1.831 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -15.254 8.605 -2.425 1.00 0.00 O ATOM 0 H ASP B 51 -15.447 9.530 2.688 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.533 7.776 0.538 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.489 9.158 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.542 10.592 0.017 1.00 0.00 H new ATOM 760 N LYS B 52 -12.362 8.730 1.215 1.00 0.00 N ATOM 761 CA LYS B 52 -11.049 9.274 1.519 1.00 0.00 C ATOM 762 C LYS B 52 -10.051 8.796 0.479 1.00 0.00 C ATOM 763 O LYS B 52 -10.057 7.622 0.106 1.00 0.00 O ATOM 764 CB LYS B 52 -10.594 8.833 2.911 1.00 0.00 C ATOM 765 CG LYS B 52 -11.636 9.044 4.000 1.00 0.00 C ATOM 766 CD LYS B 52 -11.184 8.444 5.320 1.00 0.00 C ATOM 767 CE LYS B 52 -12.259 8.556 6.392 1.00 0.00 C ATOM 768 NZ LYS B 52 -12.609 9.971 6.686 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.369 7.728 1.025 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.106 10.362 1.501 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -10.328 7.776 2.877 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.690 9.381 3.177 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.821 10.111 4.127 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.580 8.591 3.696 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.926 7.395 5.173 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -10.280 8.950 5.658 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -13.152 8.022 6.067 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.912 8.071 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -13.128 10.021 7.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -11.739 10.536 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -13.206 10.347 5.922 1.00 0.00 H new ATOM 782 N ASN B 53 -9.218 9.701 -0.011 1.00 0.00 N ATOM 783 CA ASN B 53 -8.232 9.353 -1.019 1.00 0.00 C ATOM 784 C ASN B 53 -6.836 9.434 -0.434 1.00 0.00 C ATOM 785 O ASN B 53 -6.506 10.379 0.285 1.00 0.00 O ATOM 786 CB ASN B 53 -8.298 10.291 -2.230 1.00 0.00 C ATOM 787 CG ASN B 53 -9.595 10.213 -3.023 1.00 0.00 C ATOM 788 OD1 ASN B 53 -9.584 10.284 -4.251 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.721 10.113 -2.337 1.00 0.00 N ATOM 0 H ASN B 53 -9.206 10.680 0.273 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.455 8.337 -1.345 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.159 11.316 -1.887 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.466 10.062 -2.896 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.616 10.093 -2.826 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.695 10.056 -1.319 1.00 0.00 H new ATOM 796 N TRP B 54 -6.023 8.446 -0.735 1.00 0.00 N ATOM 797 CA TRP B 54 -4.628 8.484 -0.379 1.00 0.00 C ATOM 798 C TRP B 54 -3.819 7.673 -1.383 1.00 0.00 C ATOM 799 O TRP B 54 -4.390 6.931 -2.189 1.00 0.00 O ATOM 800 CB TRP B 54 -4.414 8.021 1.055 1.00 0.00 C ATOM 801 CG TRP B 54 -4.758 6.603 1.339 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.996 6.087 1.579 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.833 5.525 1.458 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.903 4.746 1.841 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.583 4.372 1.768 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.439 5.419 1.327 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.990 3.130 1.953 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.859 4.181 1.510 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.630 3.053 1.820 1.00 0.00 C ATOM 0 H TRP B 54 -6.310 7.601 -1.229 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.274 9.514 -0.422 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.367 8.180 1.315 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.006 8.657 1.714 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.916 6.653 1.565 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.685 4.127 2.055 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.837 6.284 1.089 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -4.580 2.258 2.193 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.788 4.079 1.412 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -2.140 2.101 1.957 1.00 0.00 H new ATOM 820 N GLY B 55 -2.504 7.822 -1.355 1.00 0.00 N ATOM 821 CA GLY B 55 -1.689 7.252 -2.406 1.00 0.00 C ATOM 822 C GLY B 55 -0.380 6.674 -1.915 1.00 0.00 C ATOM 823 O GLY B 55 0.092 7.013 -0.828 1.00 0.00 O ATOM 0 H GLY B 55 -1.990 8.323 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.256 6.469 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.480 8.021 -3.149 1.00 0.00 H new ATOM 827 N ILE B 56 0.194 5.787 -2.720 1.00 0.00 N ATOM 828 CA ILE B 56 1.532 5.279 -2.476 1.00 0.00 C ATOM 829 C ILE B 56 2.499 5.917 -3.474 1.00 0.00 C ATOM 830 O ILE B 56 2.137 6.144 -4.634 1.00 0.00 O ATOM 831 CB ILE B 56 1.596 3.747 -2.642 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.434 3.070 -1.916 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.924 3.208 -2.123 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.174 1.664 -2.404 1.00 0.00 C ATOM 0 H ILE B 56 -0.254 5.404 -3.553 1.00 0.00 H new ATOM 0 HA ILE B 56 1.806 5.529 -1.451 1.00 0.00 H new ATOM 0 HB ILE B 56 1.516 3.520 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.646 3.045 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.468 3.668 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.951 2.126 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.743 3.659 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.028 3.454 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.662 1.236 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.067 1.686 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE B 56 1.063 1.054 -2.247 1.00 0.00 H new ATOM 846 N PHE B 57 3.712 6.218 -3.029 1.00 0.00 N ATOM 847 CA PHE B 57 4.696 6.878 -3.881 1.00 0.00 C ATOM 848 C PHE B 57 5.991 6.092 -3.914 1.00 0.00 C ATOM 849 O PHE B 57 6.503 5.701 -2.866 1.00 0.00 O ATOM 850 CB PHE B 57 4.914 8.304 -3.370 1.00 0.00 C ATOM 851 CG PHE B 57 3.587 8.990 -3.214 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.006 9.617 -4.295 1.00 0.00 C ATOM 853 CD2 PHE B 57 2.875 8.911 -2.029 1.00 0.00 C ATOM 854 CE1 PHE B 57 1.740 10.156 -4.207 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.614 9.466 -1.927 1.00 0.00 C ATOM 856 CZ PHE B 57 1.043 10.082 -3.021 1.00 0.00 C ATOM 0 H PHE B 57 4.039 6.016 -2.084 1.00 0.00 H new ATOM 0 HA PHE B 57 4.327 6.923 -4.906 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.439 8.283 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.542 8.859 -4.067 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.551 9.687 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.310 8.411 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.295 10.635 -5.067 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.076 9.418 -0.992 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.052 10.505 -2.948 1.00 0.00 H new ATOM 866 N VAL B 58 6.526 5.846 -5.112 1.00 0.00 N ATOM 867 CA VAL B 58 7.731 5.055 -5.223 1.00 0.00 C ATOM 868 C VAL B 58 8.863 5.896 -5.794 1.00 0.00 C ATOM 869 O VAL B 58 8.671 6.640 -6.756 1.00 0.00 O ATOM 870 CB VAL B 58 7.506 3.781 -6.070 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.202 4.123 -7.522 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.707 2.853 -5.967 1.00 0.00 C ATOM 0 H VAL B 58 6.145 6.180 -5.997 1.00 0.00 H new ATOM 0 HA VAL B 58 8.009 4.728 -4.221 1.00 0.00 H new ATOM 0 HB VAL B 58 6.635 3.262 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.049 3.204 -8.088 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.300 4.733 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.038 4.677 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.531 1.962 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.596 3.367 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.855 2.564 -4.927 1.00 0.00 H new ATOM 882 N ASN B 59 10.034 5.797 -5.163 1.00 0.00 N ATOM 883 CA ASN B 59 11.223 6.574 -5.527 1.00 0.00 C ATOM 884 C ASN B 59 10.986 8.052 -5.266 1.00 0.00 C ATOM 885 O ASN B 59 11.830 8.888 -5.579 1.00 0.00 O ATOM 886 CB ASN B 59 11.610 6.397 -6.999 1.00 0.00 C ATOM 887 CG ASN B 59 11.478 4.978 -7.502 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.394 4.162 -7.389 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.321 4.691 -8.067 1.00 0.00 N ATOM 0 H ASN B 59 10.187 5.168 -4.375 1.00 0.00 H new ATOM 0 HA ASN B 59 12.039 6.200 -4.909 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.984 7.048 -7.610 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.640 6.726 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.152 3.755 -8.436 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.596 5.405 -8.135 1.00 0.00 H new ATOM 896 N GLY B 60 9.840 8.373 -4.680 1.00 0.00 N ATOM 897 CA GLY B 60 9.478 9.747 -4.494 1.00 0.00 C ATOM 898 C GLY B 60 8.601 10.256 -5.620 1.00 0.00 C ATOM 899 O GLY B 60 8.378 11.458 -5.768 1.00 0.00 O ATOM 0 H GLY B 60 9.159 7.698 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY B 60 8.953 9.859 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.380 10.355 -4.433 1.00 0.00 H new ATOM 903 N GLU B 61 8.126 9.319 -6.420 1.00 0.00 N ATOM 904 CA GLU B 61 7.133 9.564 -7.445 1.00 0.00 C ATOM 905 C GLU B 61 5.860 8.897 -6.998 1.00 0.00 C ATOM 906 O GLU B 61 5.888 8.192 -6.019 1.00 0.00 O ATOM 907 CB GLU B 61 7.581 8.941 -8.758 1.00 0.00 C ATOM 908 CG GLU B 61 8.384 9.874 -9.647 1.00 0.00 C ATOM 909 CD GLU B 61 8.893 9.190 -10.897 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.158 9.148 -11.908 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 10.033 8.687 -10.877 1.00 0.00 O ATOM 0 H GLU B 61 8.428 8.346 -6.373 1.00 0.00 H new ATOM 0 HA GLU B 61 6.992 10.635 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.181 8.057 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.701 8.603 -9.306 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.764 10.725 -9.929 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.229 10.269 -9.083 1.00 0.00 H new ATOM 918 N LYS B 62 4.762 9.073 -7.693 1.00 0.00 N ATOM 919 CA LYS B 62 3.570 8.316 -7.350 1.00 0.00 C ATOM 920 C LYS B 62 3.724 6.896 -7.860 1.00 0.00 C ATOM 921 O LYS B 62 4.701 6.573 -8.533 1.00 0.00 O ATOM 922 CB LYS B 62 2.308 8.984 -7.905 1.00 0.00 C ATOM 923 CG LYS B 62 1.055 8.643 -7.105 1.00 0.00 C ATOM 924 CD LYS B 62 -0.154 9.464 -7.531 1.00 0.00 C ATOM 925 CE LYS B 62 0.028 10.954 -7.285 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.992 11.762 -7.999 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.663 9.714 -8.480 1.00 0.00 H new ATOM 0 HA LYS B 62 3.456 8.292 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.447 10.065 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.166 8.677 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.830 7.583 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.248 8.811 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.346 9.296 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.033 9.116 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.033 11.155 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.023 11.257 -7.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.833 12.771 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.918 11.590 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.941 11.492 -7.671 1.00 0.00 H new ATOM 940 N VAL B 63 2.836 6.033 -7.432 1.00 0.00 N ATOM 941 CA VAL B 63 2.755 4.698 -7.986 1.00 0.00 C ATOM 942 C VAL B 63 1.332 4.183 -7.880 1.00 0.00 C ATOM 943 O VAL B 63 0.938 3.273 -8.605 1.00 0.00 O ATOM 944 CB VAL B 63 3.732 3.714 -7.291 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.317 3.430 -5.857 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.852 2.418 -8.083 1.00 0.00 C ATOM 0 H VAL B 63 2.155 6.229 -6.699 1.00 0.00 H new ATOM 0 HA VAL B 63 3.048 4.758 -9.034 1.00 0.00 H new ATOM 0 HB VAL B 63 4.711 4.193 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.026 2.737 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.307 4.361 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.321 2.988 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.542 1.744 -7.576 1.00 0.00 H new ATOM 0 HG22 VAL B 63 2.873 1.945 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.227 2.636 -9.083 1.00 0.00 H new ATOM 956 N TYR B 64 0.537 4.793 -7.000 1.00 0.00 N ATOM 957 CA TYR B 64 -0.811 4.294 -6.784 1.00 0.00 C ATOM 958 C TYR B 64 -1.703 5.306 -6.081 1.00 0.00 C ATOM 959 O TYR B 64 -1.231 6.176 -5.350 1.00 0.00 O ATOM 960 CB TYR B 64 -0.746 3.000 -5.974 1.00 0.00 C ATOM 961 CG TYR B 64 -1.637 1.892 -6.487 1.00 0.00 C ATOM 962 CD1 TYR B 64 -1.916 1.751 -7.846 1.00 0.00 C ATOM 963 CD2 TYR B 64 -2.183 0.969 -5.609 1.00 0.00 C ATOM 964 CE1 TYR B 64 -2.714 0.730 -8.304 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.982 -0.058 -6.061 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.246 -0.172 -7.418 1.00 0.00 C ATOM 967 OH TYR B 64 -4.028 -1.193 -7.898 1.00 0.00 O ATOM 0 H TYR B 64 0.796 5.608 -6.444 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.255 4.107 -7.761 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.284 2.645 -5.964 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.018 3.219 -4.941 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.498 2.455 -8.550 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -1.978 1.056 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -2.922 0.638 -9.360 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -3.400 -0.769 -5.364 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.892 -1.994 -7.350 1.00 0.00 H new ATOM 977 N THR B 65 -2.998 5.183 -6.336 1.00 0.00 N ATOM 978 CA THR B 65 -4.012 6.023 -5.717 1.00 0.00 C ATOM 979 C THR B 65 -5.315 5.234 -5.593 1.00 0.00 C ATOM 980 O THR B 65 -5.760 4.619 -6.561 1.00 0.00 O ATOM 981 CB THR B 65 -4.262 7.295 -6.557 1.00 0.00 C ATOM 982 OG1 THR B 65 -3.015 7.955 -6.824 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.199 8.251 -5.833 1.00 0.00 C ATOM 0 H THR B 65 -3.377 4.492 -6.983 1.00 0.00 H new ATOM 0 HA THR B 65 -3.659 6.323 -4.730 1.00 0.00 H new ATOM 0 HB THR B 65 -4.729 6.997 -7.496 1.00 0.00 H new ATOM 0 HG1 THR B 65 -3.162 8.923 -6.876 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.358 9.138 -6.446 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.154 7.758 -5.653 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.756 8.543 -4.881 1.00 0.00 H new ATOM 991 N PHE B 66 -5.909 5.230 -4.409 1.00 0.00 N ATOM 992 CA PHE B 66 -7.129 4.499 -4.169 1.00 0.00 C ATOM 993 C PHE B 66 -8.015 5.240 -3.192 1.00 0.00 C ATOM 994 O PHE B 66 -7.699 6.342 -2.737 1.00 0.00 O ATOM 995 CB PHE B 66 -6.868 3.075 -3.645 1.00 0.00 C ATOM 996 CG PHE B 66 -5.557 2.810 -2.959 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.894 3.759 -2.193 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.007 1.553 -3.079 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.701 3.444 -1.572 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -3.820 1.230 -2.462 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.167 2.174 -1.709 1.00 0.00 C ATOM 0 H PHE B 66 -5.555 5.733 -3.595 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.634 4.415 -5.132 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.668 2.823 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.950 2.388 -4.487 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -5.313 4.748 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.517 0.806 -3.669 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.186 4.187 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.404 0.239 -2.570 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.235 1.926 -1.223 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.115 4.601 -2.874 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.145 5.171 -2.025 1.00 0.00 C ATOM 1013 C ASN B 67 -10.627 4.135 -1.012 1.00 0.00 C ATOM 1014 O ASN B 67 -10.449 2.932 -1.223 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.320 5.651 -2.884 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.378 6.379 -2.084 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -13.310 5.771 -1.552 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -12.237 7.687 -1.988 1.00 0.00 N ATOM 0 H ASN B 67 -9.327 3.658 -3.200 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.727 6.021 -1.485 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.945 6.311 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.774 4.794 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.914 8.235 -1.458 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.451 8.150 -2.444 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.248 4.590 0.067 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.708 3.698 1.124 1.00 0.00 C ATOM 1027 C GLU B 68 -12.739 2.691 0.607 1.00 0.00 C ATOM 1028 O GLU B 68 -12.668 1.496 0.915 1.00 0.00 O ATOM 1029 CB GLU B 68 -12.308 4.521 2.259 1.00 0.00 C ATOM 1030 CG GLU B 68 -11.308 5.444 2.933 1.00 0.00 C ATOM 1031 CD GLU B 68 -10.204 4.689 3.644 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -10.522 3.928 4.583 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -9.026 4.837 3.256 1.00 0.00 O ATOM 0 H GLU B 68 -11.446 5.576 0.235 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.850 3.134 1.488 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -13.134 5.116 1.869 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -12.727 3.845 3.005 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -10.868 6.104 2.186 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -11.830 6.077 3.650 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.678 3.184 -0.186 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.770 2.381 -0.717 1.00 0.00 C ATOM 1042 C LYS B 69 -14.314 1.581 -1.931 1.00 0.00 C ATOM 1043 O LYS B 69 -14.947 0.598 -2.319 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.931 3.292 -1.110 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.217 2.546 -1.421 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.717 1.782 -0.206 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.957 0.970 -0.529 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.475 0.256 0.667 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.704 4.160 -0.482 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.094 1.683 0.055 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -16.118 3.997 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.642 3.878 -1.982 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.980 3.252 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.048 1.853 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -16.931 1.119 0.156 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.939 2.483 0.599 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.731 1.629 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -18.725 0.248 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -19.331 -0.767 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -18.967 0.583 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -20.490 0.452 0.776 1.00 0.00 H new ATOM 1062 N SER B 70 -13.222 2.020 -2.533 1.00 0.00 N ATOM 1063 CA SER B 70 -12.604 1.294 -3.632 1.00 0.00 C ATOM 1064 C SER B 70 -11.992 -0.008 -3.102 1.00 0.00 C ATOM 1065 O SER B 70 -11.754 -0.944 -3.864 1.00 0.00 O ATOM 1066 CB SER B 70 -11.554 2.190 -4.304 1.00 0.00 C ATOM 1067 OG SER B 70 -10.663 1.448 -5.114 1.00 0.00 O ATOM 0 H SER B 70 -12.741 2.882 -2.277 1.00 0.00 H new ATOM 0 HA SER B 70 -13.349 1.030 -4.383 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.056 2.942 -4.912 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.990 2.723 -3.539 1.00 0.00 H new ATOM 0 HG SER B 70 -10.012 2.055 -5.525 1.00 0.00 H new ATOM 1073 N THR B 71 -11.788 -0.054 -1.781 1.00 0.00 N ATOM 1074 CA THR B 71 -11.414 -1.256 -1.050 1.00 0.00 C ATOM 1075 C THR B 71 -10.136 -1.913 -1.577 1.00 0.00 C ATOM 1076 O THR B 71 -10.131 -2.589 -2.613 1.00 0.00 O ATOM 1077 CB THR B 71 -12.577 -2.260 -1.007 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.854 -2.792 -2.306 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.828 -1.594 -0.466 1.00 0.00 C ATOM 0 H THR B 71 -11.882 0.766 -1.182 1.00 0.00 H new ATOM 0 HA THR B 71 -11.192 -0.937 -0.032 1.00 0.00 H new ATOM 0 HB THR B 71 -12.280 -3.077 -0.350 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.204 -2.440 -2.949 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.643 -2.317 -0.441 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.638 -1.227 0.543 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.103 -0.759 -1.110 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.067 -1.744 -0.802 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.714 -2.127 -1.206 1.00 0.00 C ATOM 1089 C VAL B 72 -7.588 -3.606 -1.567 1.00 0.00 C ATOM 1090 O VAL B 72 -6.608 -4.006 -2.180 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.694 -1.792 -0.102 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.832 -0.338 0.326 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.859 -2.725 1.087 1.00 0.00 C ATOM 0 H VAL B 72 -9.115 -1.335 0.131 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.501 -1.547 -2.104 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.692 -1.936 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.104 -0.118 1.107 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.653 0.312 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.838 -0.165 0.709 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.128 -2.470 1.854 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.864 -2.621 1.495 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.703 -3.755 0.766 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.573 -4.412 -1.193 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.541 -5.818 -1.538 1.00 0.00 C ATOM 1105 C GLY B 73 -8.372 -6.033 -3.032 1.00 0.00 C ATOM 1106 O GLY B 73 -7.463 -6.742 -3.470 1.00 0.00 O ATOM 0 H GLY B 73 -9.391 -4.118 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.722 -6.303 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.463 -6.294 -1.205 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.224 -5.393 -3.816 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.175 -5.536 -5.265 1.00 0.00 C ATOM 1112 C ASN B 74 -8.022 -4.723 -5.828 1.00 0.00 C ATOM 1113 O ASN B 74 -7.387 -5.107 -6.810 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.482 -5.065 -5.908 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.706 -5.596 -5.220 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.158 -6.712 -5.471 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.274 -4.774 -4.363 1.00 0.00 N ATOM 0 H ASN B 74 -9.957 -4.770 -3.476 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.031 -6.592 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.512 -3.975 -5.898 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.497 -5.375 -6.953 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.125 -5.054 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -11.863 -3.857 -4.186 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.740 -3.610 -5.174 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.750 -2.666 -5.669 1.00 0.00 C ATOM 1126 C ILE B 75 -5.345 -3.229 -5.507 1.00 0.00 C ATOM 1127 O ILE B 75 -4.585 -3.328 -6.464 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.820 -1.312 -4.936 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.239 -1.001 -4.467 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.334 -0.210 -5.860 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.321 0.225 -3.602 1.00 0.00 C ATOM 0 H ILE B 75 -8.183 -3.336 -4.297 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.975 -2.506 -6.723 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.181 -1.370 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.881 -0.867 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.627 -1.856 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.383 0.748 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.304 -0.410 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.965 -0.175 -6.748 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.356 0.390 -3.303 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.704 0.086 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.962 1.089 -4.161 1.00 0.00 H new ATOM 1143 N SER B 76 -5.022 -3.627 -4.292 1.00 0.00 N ATOM 1144 CA SER B 76 -3.686 -4.119 -3.968 1.00 0.00 C ATOM 1145 C SER B 76 -3.442 -5.472 -4.623 1.00 0.00 C ATOM 1146 O SER B 76 -2.310 -5.948 -4.701 1.00 0.00 O ATOM 1147 CB SER B 76 -3.515 -4.215 -2.453 1.00 0.00 C ATOM 1148 OG SER B 76 -3.804 -2.971 -1.838 1.00 0.00 O ATOM 0 H SER B 76 -5.669 -3.621 -3.503 1.00 0.00 H new ATOM 0 HA SER B 76 -2.950 -3.416 -4.357 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.176 -4.985 -2.055 1.00 0.00 H new ATOM 0 HB3 SER B 76 -2.495 -4.516 -2.215 1.00 0.00 H new ATOM 0 HG SER B 76 -3.029 -2.377 -1.921 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.517 -6.081 -5.094 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.432 -7.305 -5.873 1.00 0.00 C ATOM 1156 C ASN B 77 -3.653 -7.040 -7.147 1.00 0.00 C ATOM 1157 O ASN B 77 -2.822 -7.839 -7.576 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.826 -7.771 -6.240 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.872 -9.244 -6.603 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.119 -10.053 -6.060 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.746 -9.604 -7.526 1.00 0.00 N ATOM 0 H ASN B 77 -5.468 -5.743 -4.948 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.930 -8.071 -5.283 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.499 -7.586 -5.403 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.193 -7.182 -7.081 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.813 -10.581 -7.811 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.353 -8.905 -7.953 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.948 -5.904 -7.747 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.233 -5.446 -8.942 1.00 0.00 C ATOM 1170 C ASP B 78 -1.795 -5.058 -8.619 1.00 0.00 C ATOM 1171 O ASP B 78 -0.908 -5.213 -9.450 1.00 0.00 O ATOM 1172 CB ASP B 78 -3.949 -4.260 -9.586 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.054 -4.690 -10.525 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -4.735 -5.188 -11.621 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.239 -4.521 -10.176 1.00 0.00 O1- ATOM 0 H ASP B 78 -4.682 -5.271 -7.431 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.218 -6.279 -9.644 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.367 -3.625 -8.805 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.225 -3.657 -10.134 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.573 -4.546 -7.418 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.235 -4.199 -6.947 1.00 0.00 C ATOM 1182 C ILE B 79 0.727 -5.372 -7.016 1.00 0.00 C ATOM 1183 O ILE B 79 1.937 -5.194 -7.181 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.337 -3.624 -5.540 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -0.932 -2.268 -5.695 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.998 -3.546 -4.821 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -0.009 -1.276 -6.376 1.00 0.00 C ATOM 0 H ILE B 79 -2.312 -4.358 -6.741 1.00 0.00 H new ATOM 0 HA ILE B 79 0.183 -3.443 -7.611 1.00 0.00 H new ATOM 0 HB ILE B 79 -0.949 -4.279 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.854 -2.348 -6.271 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.203 -1.884 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.851 -3.127 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.424 -4.546 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.679 -2.909 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -0.508 -0.310 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE B 79 0.903 -1.166 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.242 -1.638 -7.373 1.00 0.00 H new ATOM 1199 N ASN B 80 0.166 -6.562 -6.943 1.00 0.00 N ATOM 1200 CA ASN B 80 0.936 -7.796 -7.140 1.00 0.00 C ATOM 1201 C ASN B 80 1.677 -7.781 -8.479 1.00 0.00 C ATOM 1202 O ASN B 80 2.720 -8.416 -8.626 1.00 0.00 O ATOM 1203 CB ASN B 80 0.026 -9.031 -7.110 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.437 -9.416 -5.721 1.00 0.00 C ATOM 1205 OD1 ASN B 80 0.236 -10.169 -5.018 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.602 -8.937 -5.329 1.00 0.00 N ATOM 0 H ASN B 80 -0.824 -6.712 -6.748 1.00 0.00 H new ATOM 0 HA ASN B 80 1.655 -7.848 -6.322 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.847 -8.842 -7.735 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.558 -9.873 -7.552 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -1.975 -9.189 -4.414 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -2.130 -8.315 -5.941 1.00 0.00 H new ATOM 1213 N LYS B 81 1.138 -7.047 -9.449 1.00 0.00 N ATOM 1214 CA LYS B 81 1.655 -7.085 -10.807 1.00 0.00 C ATOM 1215 C LYS B 81 2.484 -5.839 -11.143 1.00 0.00 C ATOM 1216 O LYS B 81 3.122 -5.777 -12.189 1.00 0.00 O ATOM 1217 CB LYS B 81 0.489 -7.247 -11.799 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.170 -5.948 -12.237 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.295 -6.216 -13.226 1.00 0.00 C ATOM 1220 CE LYS B 81 -1.888 -4.930 -13.788 1.00 0.00 C ATOM 1221 NZ LYS B 81 -2.615 -4.141 -12.760 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.344 -6.420 -9.316 1.00 0.00 H new ATOM 0 HA LYS B 81 2.324 -7.942 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.855 -7.767 -12.684 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.268 -7.885 -11.344 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.563 -5.423 -11.366 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.573 -5.295 -12.694 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -0.918 -6.828 -14.045 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.080 -6.791 -12.734 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -1.090 -4.321 -14.212 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.569 -5.174 -14.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -3.139 -3.370 -13.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.281 -4.759 -12.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -1.934 -3.740 -12.084 1.00 0.00 H new ATOM 1235 N LEU B 82 2.515 -4.866 -10.237 1.00 0.00 N ATOM 1236 CA LEU B 82 3.151 -3.579 -10.515 1.00 0.00 C ATOM 1237 C LEU B 82 4.665 -3.699 -10.578 1.00 0.00 C ATOM 1238 O LEU B 82 5.339 -2.830 -11.137 1.00 0.00 O ATOM 1239 CB LEU B 82 2.782 -2.571 -9.432 1.00 0.00 C ATOM 1240 CG LEU B 82 1.668 -1.588 -9.785 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.124 -0.617 -10.861 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.408 -2.315 -10.230 1.00 0.00 C ATOM 0 H LEU B 82 2.108 -4.943 -9.305 1.00 0.00 H new ATOM 0 HA LEU B 82 2.790 -3.242 -11.487 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.486 -3.120 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.675 -2.001 -9.175 1.00 0.00 H new ATOM 0 HG LEU B 82 1.432 -1.023 -8.883 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.314 0.073 -11.096 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.986 -0.055 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.400 -1.171 -11.758 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.365 -1.587 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.628 -2.919 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.057 -2.961 -9.425 1.00 0.00 H new ATOM 1254 N ASN B 83 5.176 -4.788 -10.019 1.00 0.00 N ATOM 1255 CA ASN B 83 6.612 -4.984 -9.837 1.00 0.00 C ATOM 1256 C ASN B 83 7.262 -3.718 -9.262 1.00 0.00 C ATOM 1257 O ASN B 83 8.190 -3.151 -9.843 1.00 0.00 O ATOM 1258 CB ASN B 83 7.274 -5.384 -11.162 1.00 0.00 C ATOM 1259 CG ASN B 83 8.740 -5.754 -11.008 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.158 -6.294 -9.982 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.534 -5.460 -12.025 1.00 0.00 N ATOM 0 H ASN B 83 4.607 -5.563 -9.678 1.00 0.00 H new ATOM 0 HA ASN B 83 6.761 -5.795 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.735 -6.229 -11.590 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.186 -4.559 -11.869 1.00 0.00 H new ATOM 0 HD21 ASN B 83 10.529 -5.681 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN B 83 9.151 -5.013 -12.858 1.00 0.00 H new ATOM 1268 N ILE B 84 6.743 -3.270 -8.124 1.00 0.00 N ATOM 1269 CA ILE B 84 7.195 -2.039 -7.485 1.00 0.00 C ATOM 1270 C ILE B 84 8.681 -2.087 -7.126 1.00 0.00 C ATOM 1271 O ILE B 84 9.223 -3.138 -6.786 1.00 0.00 O ATOM 1272 CB ILE B 84 6.359 -1.783 -6.221 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.909 -1.615 -6.626 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.842 -0.549 -5.468 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.953 -1.692 -5.466 1.00 0.00 C ATOM 0 H ILE B 84 5.998 -3.749 -7.619 1.00 0.00 H new ATOM 0 HA ILE B 84 7.060 -1.224 -8.197 1.00 0.00 H new ATOM 0 HB ILE B 84 6.468 -2.634 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.788 -0.653 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.650 -2.385 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.227 -0.400 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.881 -0.688 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.764 0.325 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.932 -1.564 -5.827 1.00 0.00 H new ATOM 0 HD12 ILE B 84 4.047 -2.664 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.186 -0.904 -4.749 1.00 0.00 H new ATOM 1287 N LYS B 85 9.333 -0.942 -7.225 1.00 0.00 N ATOM 1288 CA LYS B 85 10.737 -0.820 -6.849 1.00 0.00 C ATOM 1289 C LYS B 85 10.860 -0.443 -5.377 1.00 0.00 C ATOM 1290 O LYS B 85 9.859 -0.227 -4.699 1.00 0.00 O ATOM 1291 CB LYS B 85 11.426 0.244 -7.700 1.00 0.00 C ATOM 1292 CG LYS B 85 11.386 -0.038 -9.189 1.00 0.00 C ATOM 1293 CD LYS B 85 12.153 1.018 -9.966 1.00 0.00 C ATOM 1294 CE LYS B 85 12.079 0.781 -11.463 1.00 0.00 C ATOM 1295 NZ LYS B 85 10.689 0.891 -11.974 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.913 -0.077 -7.564 1.00 0.00 H new ATOM 0 HA LYS B 85 11.219 -1.783 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.954 1.208 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.466 0.330 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.812 -1.021 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.351 -0.064 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.750 2.004 -9.734 1.00 0.00 H new ATOM 0 HD3 LYS B 85 13.196 1.017 -9.649 1.00 0.00 H new ATOM 0 HE2 LYS B 85 12.713 1.504 -11.977 1.00 0.00 H new ATOM 0 HE3 LYS B 85 12.473 -0.209 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 10.705 0.960 -13.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 10.148 0.049 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 10.240 1.741 -11.577 1.00 0.00 H new ATOM 1309 N GLY B 86 12.086 -0.334 -4.894 1.00 0.00 N ATOM 1310 CA GLY B 86 12.297 0.089 -3.530 1.00 0.00 C ATOM 1311 C GLY B 86 13.384 1.136 -3.437 1.00 0.00 C ATOM 1312 O GLY B 86 14.554 0.860 -3.712 1.00 0.00 O ATOM 0 H GLY B 86 12.937 -0.531 -5.422 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.368 0.490 -3.124 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.566 -0.772 -2.918 1.00 0.00 H new ATOM 1316 N MET B 87 12.990 2.354 -3.076 1.00 0.00 N ATOM 1317 CA MET B 87 13.906 3.451 -2.923 1.00 0.00 C ATOM 1318 C MET B 87 13.331 4.472 -1.935 1.00 0.00 C ATOM 1319 O MET B 87 13.704 4.482 -0.766 1.00 0.00 O ATOM 1320 CB MET B 87 14.159 4.084 -4.288 1.00 0.00 C ATOM 1321 CG MET B 87 14.732 5.471 -4.199 1.00 0.00 C ATOM 1322 SD MET B 87 16.479 5.562 -4.637 1.00 0.00 S ATOM 1323 CE MET B 87 17.216 4.507 -3.391 1.00 0.00 C ATOM 0 H MET B 87 12.018 2.596 -2.883 1.00 0.00 H new ATOM 0 HA MET B 87 14.855 3.095 -2.523 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.842 3.451 -4.854 1.00 0.00 H new ATOM 0 HB3 MET B 87 13.222 4.120 -4.844 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.167 6.131 -4.857 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.601 5.844 -3.183 1.00 0.00 H new ATOM 0 HE1 MET B 87 18.302 4.580 -3.448 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.882 4.823 -2.403 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.913 3.474 -3.563 1.00 0.00 H new ATOM 1333 N TYR B 88 12.408 5.317 -2.398 1.00 0.00 N ATOM 1334 CA TYR B 88 11.761 6.281 -1.527 1.00 0.00 C ATOM 1335 C TYR B 88 10.256 6.067 -1.564 1.00 0.00 C ATOM 1336 O TYR B 88 9.554 6.645 -2.391 1.00 0.00 O ATOM 1337 CB TYR B 88 12.109 7.708 -1.957 1.00 0.00 C ATOM 1338 CG TYR B 88 11.812 8.749 -0.901 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.543 9.300 -0.775 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.801 9.177 -0.027 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.271 10.246 0.193 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.535 10.123 0.944 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.269 10.653 1.049 1.00 0.00 C ATOM 1344 OH TYR B 88 10.998 11.591 2.018 1.00 0.00 O ATOM 0 H TYR B 88 12.097 5.348 -3.369 1.00 0.00 H new ATOM 0 HA TYR B 88 12.118 6.137 -0.507 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.168 7.753 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.552 7.952 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.757 8.983 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.796 8.764 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.279 10.665 0.278 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.316 10.445 1.617 1.00 0.00 H new ATOM 0 HH TYR B 88 11.809 11.767 2.539 1.00 0.00 H new ATOM 1354 N ILE B 89 9.777 5.195 -0.698 1.00 0.00 N ATOM 1355 CA ILE B 89 8.356 4.893 -0.626 1.00 0.00 C ATOM 1356 C ILE B 89 7.655 5.809 0.370 1.00 0.00 C ATOM 1357 O ILE B 89 8.094 5.949 1.512 1.00 0.00 O ATOM 1358 CB ILE B 89 8.115 3.430 -0.204 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.973 2.480 -1.038 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.639 3.069 -0.335 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.667 2.523 -2.512 1.00 0.00 C ATOM 0 H ILE B 89 10.352 4.680 -0.031 1.00 0.00 H new ATOM 0 HA ILE B 89 7.946 5.052 -1.623 1.00 0.00 H new ATOM 0 HB ILE B 89 8.404 3.325 0.842 1.00 0.00 H new ATOM 0 HG12 ILE B 89 10.024 2.727 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.829 1.462 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.490 2.033 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.046 3.723 0.305 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.325 3.193 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.315 1.823 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.625 2.247 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.839 3.531 -2.890 1.00 0.00 H new ATOM 1373 N GLU B 90 6.577 6.436 -0.071 1.00 0.00 N ATOM 1374 CA GLU B 90 5.738 7.230 0.813 1.00 0.00 C ATOM 1375 C GLU B 90 4.342 6.648 0.887 1.00 0.00 C ATOM 1376 O GLU B 90 3.821 6.126 -0.102 1.00 0.00 O ATOM 1377 CB GLU B 90 5.645 8.680 0.350 1.00 0.00 C ATOM 1378 CG GLU B 90 6.859 9.521 0.691 1.00 0.00 C ATOM 1379 CD GLU B 90 6.681 10.969 0.287 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.053 11.734 1.053 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.153 11.346 -0.801 1.00 0.00 O1- ATOM 0 H GLU B 90 6.261 6.410 -1.040 1.00 0.00 H new ATOM 0 HA GLU B 90 6.202 7.206 1.799 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.498 8.696 -0.730 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.763 9.137 0.799 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.049 9.465 1.763 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.736 9.111 0.190 1.00 0.00 H new ATOM 1388 N ILE B 91 3.744 6.745 2.061 1.00 0.00 N ATOM 1389 CA ILE B 91 2.395 6.254 2.283 1.00 0.00 C ATOM 1390 C ILE B 91 1.607 7.304 3.059 1.00 0.00 C ATOM 1391 O ILE B 91 1.787 7.446 4.268 1.00 0.00 O ATOM 1392 CB ILE B 91 2.397 4.934 3.087 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.636 4.097 2.765 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.145 4.139 2.778 1.00 0.00 C ATOM 1395 CD1 ILE B 91 3.774 2.863 3.627 1.00 0.00 C ATOM 0 H ILE B 91 4.177 7.164 2.884 1.00 0.00 H new ATOM 0 HA ILE B 91 1.937 6.063 1.312 1.00 0.00 H new ATOM 0 HB ILE B 91 2.417 5.182 4.148 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.599 3.796 1.718 1.00 0.00 H new ATOM 0 HG13 ILE B 91 4.524 4.717 2.887 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.154 3.210 3.348 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.266 4.724 3.050 1.00 0.00 H new ATOM 0 HG23 ILE B 91 1.113 3.910 1.713 1.00 0.00 H new ATOM 0 HD11 ILE B 91 4.675 2.319 3.342 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.843 3.157 4.674 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.904 2.222 3.487 1.00 0.00 H new ATOM 1407 N LYS B 92 0.745 8.044 2.366 1.00 0.00 N ATOM 1408 CA LYS B 92 0.111 9.218 2.958 1.00 0.00 C ATOM 1409 C LYS B 92 -1.221 9.545 2.303 1.00 0.00 C ATOM 1410 O LYS B 92 -1.623 8.908 1.331 1.00 0.00 O ATOM 1411 CB LYS B 92 1.036 10.408 2.799 1.00 0.00 C ATOM 1412 CG LYS B 92 1.373 10.689 1.347 1.00 0.00 C ATOM 1413 CD LYS B 92 2.580 11.610 1.226 1.00 0.00 C ATOM 1414 CE LYS B 92 2.860 11.991 -0.219 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.037 12.889 -0.339 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.471 7.854 1.402 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.077 8.999 4.009 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.568 11.289 3.238 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.956 10.226 3.354 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.576 9.751 0.831 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.514 11.145 0.854 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.408 12.512 1.813 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.456 11.118 1.648 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.031 11.088 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS B 92 1.984 12.483 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 4.522 12.707 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 3.722 13.880 -0.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 4.692 12.710 0.449 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.866 10.582 2.829 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.187 10.998 2.381 1.00 0.00 C ATOM 1431 C GLN B 93 -3.069 12.166 1.415 1.00 0.00 C ATOM 1432 O GLN B 93 -2.169 12.998 1.540 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.052 11.438 3.567 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.014 10.513 4.775 1.00 0.00 C ATOM 1435 CD GLN B 93 -4.412 9.089 4.456 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -5.593 8.745 4.468 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -3.426 8.241 4.208 1.00 0.00 N ATOM 0 H GLN B 93 -1.485 11.158 3.580 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.653 10.146 1.887 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -3.732 12.432 3.880 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.085 11.527 3.230 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -3.008 10.516 5.193 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.680 10.905 5.544 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.460 8.568 4.208 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -3.632 7.261 4.017 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.974 12.216 0.457 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.060 13.329 -0.468 1.00 0.00 C ATOM 1448 C ILE B 94 -5.428 13.999 -0.365 1.00 0.00 C ATOM 1449 O ILE B 94 -6.382 13.560 -1.040 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.787 12.860 -1.910 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.481 11.524 -2.164 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.290 12.717 -2.114 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.409 11.045 -3.595 1.00 0.00 C ATOM 1454 OXT ILE B 94 -5.553 14.953 0.429 1.00 0.00 O ATOM 0 H ILE B 94 -4.670 11.487 0.298 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.298 14.061 -0.202 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.179 13.595 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.035 10.768 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.528 11.612 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.092 12.385 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.806 13.679 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.895 11.984 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -4.927 10.090 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.882 11.778 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.366 10.921 -3.885 1.00 0.00 H new