USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 962 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 94 SER OG : rot 160:sc= 0 USER MOD Set 1.2: B 100 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0.012) USER MOD Set 2.1: B 62 SER OG : rot 15:sc= 2.24 USER MOD Set 2.2: B 64 LYS NZ :NH3+ -149:sc= 1.19 (180deg=0.398) USER MOD Set 3.1: B 48 LYS NZ :NH3+ -117:sc= 0.0659 (180deg=-0.00285) USER MOD Set 3.2: B 49 GLN : amide:sc= 0.0317 X(o=0.098,f=-0.14) USER MOD Single : B 10 SER OG : rot 180:sc= -0.0923 USER MOD Single : B 16 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.5!) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= 0.0141 X(o=0.014,f=-0.02) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 GLN :FLIP amide:sc= -2.78 F(o=-3.4,f=-2.8) USER MOD Single : B 39 HIS :FLIP no HE2:sc= 0.306 F(o=-1.8,f=0.31) USER MOD Single : B 41 ASN : amide:sc= 0.248 K(o=0.25,f=-5!) USER MOD Single : B 42 THR OG1 : rot -169:sc= 1.27 USER MOD Single : B 46 THR OG1 : rot -130:sc= -2.35! USER MOD Single : B 52 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-1) USER MOD Single : B 53 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-1.3) USER MOD Single : B 56 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.022) USER MOD Single : B 57 MET CE :methyl -161:sc= -0.976 (180deg=-1.52) USER MOD Single : B 77 THR OG1 : rot 180:sc= -0.223 USER MOD Single : B 80 GLN : amide:sc= 1.54 K(o=1.5,f=-9.1!) USER MOD Single : B 85 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) USER MOD Single : B 102 MET CE :methyl -175:sc= -2.93! (180deg=-2.94!) USER MOD Single : B 103 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.129) USER MOD Single : B 104 ASN :FLIP amide:sc= -0.011 F(o=-1.9!,f=-0.011) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 165:sc= 0.0371 (180deg=-0.186) USER MOD Single : B 110 SER OG : rot 180:sc= -0.125 USER MOD Single : B 117 LYS NZ :NH3+ -146:sc= 0.978 (180deg=-1.04!) USER MOD Single : B 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N TRP B 9 -21.853 8.621 5.507 1.00 0.00 N ATOM 127 CA TRP B 9 -21.651 7.407 6.278 1.00 0.00 C ATOM 128 C TRP B 9 -21.694 7.707 7.763 1.00 0.00 C ATOM 129 O TRP B 9 -21.007 8.607 8.246 1.00 0.00 O ATOM 130 CB TRP B 9 -20.301 6.759 5.931 1.00 0.00 C ATOM 131 CG TRP B 9 -20.113 6.433 4.474 1.00 0.00 C ATOM 132 CD1 TRP B 9 -19.774 7.301 3.478 1.00 0.00 C ATOM 133 CD2 TRP B 9 -20.227 5.143 3.855 1.00 0.00 C ATOM 134 NE1 TRP B 9 -19.688 6.638 2.276 1.00 0.00 N ATOM 135 CE2 TRP B 9 -19.957 5.313 2.485 1.00 0.00 C ATOM 136 CE3 TRP B 9 -20.532 3.863 4.325 1.00 0.00 C ATOM 137 CZ2 TRP B 9 -19.979 4.255 1.584 1.00 0.00 C ATOM 138 CZ3 TRP B 9 -20.558 2.813 3.426 1.00 0.00 C ATOM 139 CH2 TRP B 9 -20.280 3.015 2.069 1.00 0.00 C ATOM 0 HA TRP B 9 -22.454 6.715 6.026 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -19.501 7.429 6.245 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -20.194 5.842 6.511 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -19.598 8.358 3.614 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -19.461 7.064 1.377 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -20.743 3.697 5.371 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -19.765 4.409 0.537 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -20.797 1.820 3.777 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -20.304 2.173 1.393 1.00 0.00 H new ATOM 150 N SER B 10 -22.512 6.966 8.475 1.00 0.00 N ATOM 151 CA SER B 10 -22.552 7.055 9.916 1.00 0.00 C ATOM 152 C SER B 10 -21.546 6.070 10.502 1.00 0.00 C ATOM 153 O SER B 10 -21.050 5.198 9.782 1.00 0.00 O ATOM 154 CB SER B 10 -23.968 6.741 10.405 1.00 0.00 C ATOM 155 OG SER B 10 -24.416 5.505 9.876 1.00 0.00 O ATOM 0 H SER B 10 -23.163 6.290 8.076 1.00 0.00 H new ATOM 0 HA SER B 10 -22.290 8.062 10.240 1.00 0.00 H new ATOM 0 HB2 SER B 10 -23.982 6.703 11.494 1.00 0.00 H new ATOM 0 HB3 SER B 10 -24.647 7.539 10.105 1.00 0.00 H new ATOM 0 HG SER B 10 -25.322 5.320 10.200 1.00 0.00 H new ATOM 161 N PRO B 11 -21.213 6.196 11.797 1.00 0.00 N ATOM 162 CA PRO B 11 -20.398 5.200 12.491 1.00 0.00 C ATOM 163 C PRO B 11 -20.958 3.794 12.298 1.00 0.00 C ATOM 164 O PRO B 11 -20.211 2.819 12.217 1.00 0.00 O ATOM 165 CB PRO B 11 -20.497 5.616 13.957 1.00 0.00 C ATOM 166 CG PRO B 11 -20.762 7.079 13.919 1.00 0.00 C ATOM 167 CD PRO B 11 -21.571 7.328 12.673 1.00 0.00 C ATOM 0 HA PRO B 11 -19.374 5.167 12.119 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -21.299 5.082 14.467 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -19.575 5.395 14.494 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -21.307 7.399 14.807 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -19.829 7.643 13.897 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -22.640 7.348 12.886 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -21.319 8.285 12.216 1.00 0.00 H new ATOM 175 N GLU B 12 -22.281 3.714 12.208 1.00 0.00 N ATOM 176 CA GLU B 12 -22.969 2.454 11.964 1.00 0.00 C ATOM 177 C GLU B 12 -22.796 2.001 10.514 1.00 0.00 C ATOM 178 O GLU B 12 -22.651 0.813 10.246 1.00 0.00 O ATOM 179 CB GLU B 12 -24.461 2.599 12.264 1.00 0.00 C ATOM 180 CG GLU B 12 -24.778 2.974 13.702 1.00 0.00 C ATOM 181 CD GLU B 12 -24.354 1.913 14.694 1.00 0.00 C ATOM 182 OE1 GLU B 12 -23.593 2.241 15.627 1.00 0.00 O ATOM 183 OE2 GLU B 12 -24.782 0.745 14.547 1.00 0.00 O ATOM 0 H GLU B 12 -22.903 4.517 12.302 1.00 0.00 H new ATOM 0 HA GLU B 12 -22.529 1.706 12.623 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -24.880 3.357 11.603 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -24.960 1.659 12.028 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -24.280 3.912 13.946 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -25.850 3.148 13.799 1.00 0.00 H new ATOM 190 N GLU B 13 -22.806 2.949 9.581 1.00 0.00 N ATOM 191 CA GLU B 13 -22.781 2.613 8.159 1.00 0.00 C ATOM 192 C GLU B 13 -21.443 2.000 7.757 1.00 0.00 C ATOM 193 O GLU B 13 -21.403 1.017 7.021 1.00 0.00 O ATOM 194 CB GLU B 13 -23.077 3.837 7.292 1.00 0.00 C ATOM 195 CG GLU B 13 -23.540 3.470 5.891 1.00 0.00 C ATOM 196 CD GLU B 13 -24.762 2.574 5.921 1.00 0.00 C ATOM 197 OE1 GLU B 13 -25.887 3.101 6.071 1.00 0.00 O ATOM 198 OE2 GLU B 13 -24.608 1.338 5.786 1.00 0.00 O ATOM 0 H GLU B 13 -22.831 3.949 9.781 1.00 0.00 H new ATOM 0 HA GLU B 13 -23.564 1.874 7.991 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -23.844 4.442 7.776 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -22.180 4.453 7.223 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -23.768 4.378 5.334 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -22.732 2.966 5.361 1.00 0.00 H new ATOM 205 N GLU B 14 -20.346 2.564 8.244 1.00 0.00 N ATOM 206 CA GLU B 14 -19.036 2.000 7.946 1.00 0.00 C ATOM 207 C GLU B 14 -18.819 0.708 8.732 1.00 0.00 C ATOM 208 O GLU B 14 -18.067 -0.171 8.308 1.00 0.00 O ATOM 209 CB GLU B 14 -17.918 3.013 8.205 1.00 0.00 C ATOM 210 CG GLU B 14 -17.904 4.142 7.184 1.00 0.00 C ATOM 211 CD GLU B 14 -16.648 4.986 7.240 1.00 0.00 C ATOM 212 OE1 GLU B 14 -16.705 6.112 7.774 1.00 0.00 O ATOM 213 OE2 GLU B 14 -15.596 4.533 6.738 1.00 0.00 O ATOM 0 H GLU B 14 -20.334 3.395 8.835 1.00 0.00 H new ATOM 0 HA GLU B 14 -19.004 1.757 6.884 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -18.037 3.433 9.204 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -16.956 2.500 8.187 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -18.005 3.719 6.184 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -18.771 4.782 7.349 1.00 0.00 H new ATOM 220 N ALA B 15 -19.513 0.576 9.860 1.00 0.00 N ATOM 221 CA ALA B 15 -19.524 -0.679 10.598 1.00 0.00 C ATOM 222 C ALA B 15 -20.328 -1.721 9.827 1.00 0.00 C ATOM 223 O ALA B 15 -20.103 -2.919 9.947 1.00 0.00 O ATOM 224 CB ALA B 15 -20.105 -0.478 11.987 1.00 0.00 C ATOM 0 H ALA B 15 -20.071 1.320 10.279 1.00 0.00 H new ATOM 0 HA ALA B 15 -18.499 -1.033 10.709 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -20.105 -1.427 12.522 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -19.501 0.247 12.533 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -21.127 -0.109 11.904 1.00 0.00 H new ATOM 230 N HIS B 16 -21.255 -1.224 9.029 1.00 0.00 N ATOM 231 CA HIS B 16 -22.086 -2.028 8.150 1.00 0.00 C ATOM 232 C HIS B 16 -21.329 -2.355 6.864 1.00 0.00 C ATOM 233 O HIS B 16 -21.556 -3.388 6.236 1.00 0.00 O ATOM 234 CB HIS B 16 -23.377 -1.256 7.843 1.00 0.00 C ATOM 235 CG HIS B 16 -24.311 -1.936 6.893 1.00 0.00 C ATOM 236 ND1 HIS B 16 -25.009 -1.255 5.923 1.00 0.00 N ATOM 237 CD2 HIS B 16 -24.678 -3.232 6.780 1.00 0.00 C ATOM 238 CE1 HIS B 16 -25.764 -2.104 5.253 1.00 0.00 C ATOM 239 NE2 HIS B 16 -25.581 -3.309 5.753 1.00 0.00 N ATOM 0 H HIS B 16 -21.456 -0.226 8.972 1.00 0.00 H new ATOM 0 HA HIS B 16 -22.339 -2.969 8.638 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -23.905 -1.074 8.779 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -23.111 -0.282 7.432 1.00 0.00 H new ATOM 0 HD1 HIS B 16 -24.952 -0.252 5.749 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -24.325 -4.053 7.386 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -26.421 -1.854 4.433 1.00 0.00 H new ATOM 248 N LEU B 17 -20.422 -1.466 6.488 1.00 0.00 N ATOM 249 CA LEU B 17 -19.579 -1.677 5.323 1.00 0.00 C ATOM 250 C LEU B 17 -18.619 -2.829 5.586 1.00 0.00 C ATOM 251 O LEU B 17 -18.456 -3.720 4.754 1.00 0.00 O ATOM 252 CB LEU B 17 -18.803 -0.403 4.996 1.00 0.00 C ATOM 253 CG LEU B 17 -18.132 -0.384 3.624 1.00 0.00 C ATOM 254 CD1 LEU B 17 -19.174 -0.456 2.526 1.00 0.00 C ATOM 255 CD2 LEU B 17 -17.288 0.862 3.466 1.00 0.00 C ATOM 0 H LEU B 17 -20.251 -0.587 6.977 1.00 0.00 H new ATOM 0 HA LEU B 17 -20.207 -1.927 4.468 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -19.485 0.445 5.061 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -18.038 -0.257 5.759 1.00 0.00 H new ATOM 0 HG LEU B 17 -17.482 -1.256 3.545 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -18.680 -0.441 1.554 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -19.747 -1.378 2.628 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -19.845 0.399 2.605 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -16.817 0.860 2.483 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -17.920 1.745 3.564 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -16.518 0.880 4.237 1.00 0.00 H new ATOM 267 N ARG B 18 -18.002 -2.819 6.767 1.00 0.00 N ATOM 268 CA ARG B 18 -17.141 -3.911 7.178 1.00 0.00 C ATOM 269 C ARG B 18 -18.011 -5.109 7.498 1.00 0.00 C ATOM 270 O ARG B 18 -17.635 -6.243 7.237 1.00 0.00 O ATOM 271 CB ARG B 18 -16.280 -3.516 8.391 1.00 0.00 C ATOM 272 CG ARG B 18 -17.080 -3.172 9.637 1.00 0.00 C ATOM 273 CD ARG B 18 -16.259 -2.395 10.657 1.00 0.00 C ATOM 274 NE ARG B 18 -15.229 -3.202 11.308 1.00 0.00 N ATOM 275 CZ ARG B 18 -14.562 -2.799 12.395 1.00 0.00 C ATOM 276 NH1 ARG B 18 -14.792 -1.595 12.908 1.00 0.00 N ATOM 277 NH2 ARG B 18 -13.661 -3.592 12.961 1.00 0.00 N ATOM 0 H ARG B 18 -18.086 -2.066 7.450 1.00 0.00 H new ATOM 0 HA ARG B 18 -16.453 -4.158 6.369 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -15.601 -4.337 8.624 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -15.663 -2.659 8.121 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -17.953 -2.585 9.354 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.448 -4.090 10.094 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -15.787 -1.547 10.162 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -16.927 -1.989 11.417 1.00 0.00 H new ATOM 0 HE ARG B 18 -15.008 -4.117 10.914 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -15.478 -0.978 12.473 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -14.283 -1.288 13.737 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -13.474 -4.514 12.567 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -13.155 -3.279 13.790 1.00 0.00 H new ATOM 291 N GLU B 19 -19.203 -4.823 8.018 1.00 0.00 N ATOM 292 CA GLU B 19 -20.185 -5.849 8.339 1.00 0.00 C ATOM 293 C GLU B 19 -20.389 -6.775 7.142 1.00 0.00 C ATOM 294 O GLU B 19 -20.301 -8.000 7.248 1.00 0.00 O ATOM 295 CB GLU B 19 -21.518 -5.202 8.718 1.00 0.00 C ATOM 296 CG GLU B 19 -22.605 -6.190 9.087 1.00 0.00 C ATOM 297 CD GLU B 19 -22.283 -6.964 10.351 1.00 0.00 C ATOM 298 OE1 GLU B 19 -21.494 -7.926 10.284 1.00 0.00 O ATOM 299 OE2 GLU B 19 -22.822 -6.607 11.419 1.00 0.00 O ATOM 0 H GLU B 19 -19.512 -3.874 8.227 1.00 0.00 H new ATOM 0 HA GLU B 19 -19.816 -6.431 9.183 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -21.356 -4.527 9.558 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -21.864 -4.593 7.883 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -23.546 -5.656 9.222 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -22.750 -6.889 8.264 1.00 0.00 H new ATOM 306 N LEU B 20 -20.635 -6.154 5.998 1.00 0.00 N ATOM 307 CA LEU B 20 -20.888 -6.865 4.757 1.00 0.00 C ATOM 308 C LEU B 20 -19.629 -7.566 4.248 1.00 0.00 C ATOM 309 O LEU B 20 -19.702 -8.650 3.660 1.00 0.00 O ATOM 310 CB LEU B 20 -21.397 -5.870 3.716 1.00 0.00 C ATOM 311 CG LEU B 20 -22.777 -6.171 3.143 1.00 0.00 C ATOM 312 CD1 LEU B 20 -23.339 -4.935 2.462 1.00 0.00 C ATOM 313 CD2 LEU B 20 -22.696 -7.335 2.168 1.00 0.00 C ATOM 0 H LEU B 20 -20.665 -5.139 5.906 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.638 -7.635 4.938 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -21.418 -4.878 4.167 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -20.682 -5.832 2.894 1.00 0.00 H new ATOM 0 HG LEU B 20 -23.447 -6.451 3.956 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -24.325 -5.160 2.056 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -23.421 -4.126 3.187 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -22.674 -4.631 1.653 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -23.687 -7.541 1.765 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -22.018 -7.080 1.353 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -22.324 -8.219 2.686 1.00 0.00 H new ATOM 325 N TYR B 21 -18.475 -6.955 4.500 1.00 0.00 N ATOM 326 CA TYR B 21 -17.199 -7.489 4.036 1.00 0.00 C ATOM 327 C TYR B 21 -16.873 -8.772 4.779 1.00 0.00 C ATOM 328 O TYR B 21 -16.570 -9.802 4.178 1.00 0.00 O ATOM 329 CB TYR B 21 -16.083 -6.456 4.257 1.00 0.00 C ATOM 330 CG TYR B 21 -14.707 -6.921 3.822 1.00 0.00 C ATOM 331 CD1 TYR B 21 -14.287 -6.779 2.507 1.00 0.00 C ATOM 332 CD2 TYR B 21 -13.827 -7.494 4.731 1.00 0.00 C ATOM 333 CE1 TYR B 21 -13.033 -7.199 2.109 1.00 0.00 C ATOM 334 CE2 TYR B 21 -12.572 -7.916 4.340 1.00 0.00 C ATOM 335 CZ TYR B 21 -12.179 -7.766 3.029 1.00 0.00 C ATOM 336 OH TYR B 21 -10.929 -8.182 2.636 1.00 0.00 O ATOM 0 H TYR B 21 -18.398 -6.085 5.026 1.00 0.00 H new ATOM 0 HA TYR B 21 -17.273 -7.705 2.970 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -16.334 -5.545 3.714 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -16.048 -6.197 5.315 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -14.952 -6.332 1.783 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -14.130 -7.611 5.761 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -12.723 -7.083 1.081 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -11.901 -8.362 5.060 1.00 0.00 H new ATOM 0 HH TYR B 21 -10.452 -8.558 3.405 1.00 0.00 H new ATOM 346 N LEU B 22 -16.961 -8.691 6.094 1.00 0.00 N ATOM 347 CA LEU B 22 -16.649 -9.811 6.970 1.00 0.00 C ATOM 348 C LEU B 22 -17.602 -10.981 6.732 1.00 0.00 C ATOM 349 O LEU B 22 -17.251 -12.135 6.965 1.00 0.00 O ATOM 350 CB LEU B 22 -16.752 -9.363 8.429 1.00 0.00 C ATOM 351 CG LEU B 22 -16.100 -8.016 8.746 1.00 0.00 C ATOM 352 CD1 LEU B 22 -16.467 -7.568 10.148 1.00 0.00 C ATOM 353 CD2 LEU B 22 -14.591 -8.081 8.579 1.00 0.00 C ATOM 0 H LEU B 22 -17.251 -7.847 6.588 1.00 0.00 H new ATOM 0 HA LEU B 22 -15.634 -10.143 6.750 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -17.806 -9.311 8.703 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.296 -10.126 9.059 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.480 -7.281 8.036 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -15.995 -6.608 10.358 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.549 -7.465 10.225 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -16.120 -8.308 10.869 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -14.157 -7.109 8.811 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -14.182 -8.832 9.255 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -14.350 -8.349 7.550 1.00 0.00 H new ATOM 365 N ALA B 23 -18.803 -10.668 6.254 1.00 0.00 N ATOM 366 CA ALA B 23 -19.845 -11.672 6.076 1.00 0.00 C ATOM 367 C ALA B 23 -19.662 -12.478 4.793 1.00 0.00 C ATOM 368 O ALA B 23 -20.028 -13.652 4.735 1.00 0.00 O ATOM 369 CB ALA B 23 -21.216 -11.007 6.090 1.00 0.00 C ATOM 0 H ALA B 23 -19.078 -9.724 5.983 1.00 0.00 H new ATOM 0 HA ALA B 23 -19.769 -12.372 6.908 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -21.989 -11.764 5.956 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -21.365 -10.501 7.044 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -21.276 -10.280 5.280 1.00 0.00 H new ATOM 375 N ASN B 24 -19.082 -11.863 3.767 1.00 0.00 N ATOM 376 CA ASN B 24 -18.990 -12.508 2.462 1.00 0.00 C ATOM 377 C ASN B 24 -17.545 -12.682 2.007 1.00 0.00 C ATOM 378 O ASN B 24 -17.280 -12.823 0.816 1.00 0.00 O ATOM 379 CB ASN B 24 -19.766 -11.695 1.422 1.00 0.00 C ATOM 380 CG ASN B 24 -21.255 -11.660 1.702 1.00 0.00 C ATOM 381 OD1 ASN B 24 -22.001 -12.530 1.256 1.00 0.00 O ATOM 382 ND2 ASN B 24 -21.701 -10.651 2.434 1.00 0.00 N ATOM 0 H ASN B 24 -18.673 -10.930 3.812 1.00 0.00 H new ATOM 0 HA ASN B 24 -19.427 -13.502 2.558 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -19.380 -10.676 1.401 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -19.596 -12.121 0.433 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -22.696 -10.576 2.646 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -21.050 -9.949 2.786 1.00 0.00 H new ATOM 389 N LYS B 25 -16.612 -12.688 2.952 1.00 0.00 N ATOM 390 CA LYS B 25 -15.197 -12.849 2.619 1.00 0.00 C ATOM 391 C LYS B 25 -14.822 -14.327 2.503 1.00 0.00 C ATOM 392 O LYS B 25 -13.757 -14.671 1.995 1.00 0.00 O ATOM 393 CB LYS B 25 -14.302 -12.166 3.662 1.00 0.00 C ATOM 394 CG LYS B 25 -14.463 -12.717 5.072 1.00 0.00 C ATOM 395 CD LYS B 25 -13.394 -12.181 6.015 1.00 0.00 C ATOM 396 CE LYS B 25 -12.009 -12.704 5.652 1.00 0.00 C ATOM 397 NZ LYS B 25 -10.970 -12.275 6.625 1.00 0.00 N ATOM 0 H LYS B 25 -16.805 -12.584 3.948 1.00 0.00 H new ATOM 0 HA LYS B 25 -15.035 -12.371 1.653 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -13.261 -12.273 3.358 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -14.523 -11.099 3.673 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -15.449 -12.454 5.454 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -14.411 -13.805 5.045 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -13.392 -11.092 5.981 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -13.635 -12.468 7.039 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -12.035 -13.793 5.608 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -11.739 -12.351 4.657 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -10.046 -12.655 6.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -10.925 -11.236 6.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -11.211 -12.633 7.571 1.00 0.00 H new ATOM 411 N ASP B 26 -15.701 -15.196 2.979 1.00 0.00 N ATOM 412 CA ASP B 26 -15.442 -16.636 2.979 1.00 0.00 C ATOM 413 C ASP B 26 -16.134 -17.303 1.789 1.00 0.00 C ATOM 414 O ASP B 26 -16.409 -18.504 1.785 1.00 0.00 O ATOM 415 CB ASP B 26 -15.926 -17.245 4.302 1.00 0.00 C ATOM 416 CG ASP B 26 -15.486 -18.686 4.494 1.00 0.00 C ATOM 417 OD1 ASP B 26 -14.267 -18.936 4.571 1.00 0.00 O ATOM 418 OD2 ASP B 26 -16.364 -19.571 4.591 1.00 0.00 O ATOM 0 H ASP B 26 -16.604 -14.932 3.372 1.00 0.00 H new ATOM 0 HA ASP B 26 -14.370 -16.808 2.884 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -15.550 -16.644 5.130 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -17.014 -17.196 4.340 1.00 0.00 H new ATOM 423 N VAL B 27 -16.389 -16.518 0.758 1.00 0.00 N ATOM 424 CA VAL B 27 -17.100 -17.002 -0.407 1.00 0.00 C ATOM 425 C VAL B 27 -16.169 -17.011 -1.603 1.00 0.00 C ATOM 426 O VAL B 27 -15.793 -15.963 -2.126 1.00 0.00 O ATOM 427 CB VAL B 27 -18.344 -16.144 -0.718 1.00 0.00 C ATOM 428 CG1 VAL B 27 -19.174 -16.782 -1.822 1.00 0.00 C ATOM 429 CG2 VAL B 27 -19.186 -15.942 0.535 1.00 0.00 C ATOM 0 H VAL B 27 -16.112 -15.538 0.706 1.00 0.00 H new ATOM 0 HA VAL B 27 -17.442 -18.015 -0.194 1.00 0.00 H new ATOM 0 HB VAL B 27 -18.006 -15.167 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -20.046 -16.161 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -18.571 -16.869 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -19.500 -17.773 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -20.058 -15.334 0.293 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -19.512 -16.910 0.914 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -18.591 -15.436 1.296 1.00 0.00 H new ATOM 439 N GLU B 28 -15.779 -18.200 -2.015 1.00 0.00 N ATOM 440 CA GLU B 28 -14.835 -18.353 -3.100 1.00 0.00 C ATOM 441 C GLU B 28 -15.543 -18.399 -4.442 1.00 0.00 C ATOM 442 O GLU B 28 -16.644 -18.944 -4.563 1.00 0.00 O ATOM 443 CB GLU B 28 -13.981 -19.591 -2.869 1.00 0.00 C ATOM 444 CG GLU B 28 -12.887 -19.345 -1.848 1.00 0.00 C ATOM 445 CD GLU B 28 -11.690 -18.652 -2.461 1.00 0.00 C ATOM 446 OE1 GLU B 28 -10.611 -19.279 -2.544 1.00 0.00 O ATOM 447 OE2 GLU B 28 -11.828 -17.490 -2.903 1.00 0.00 O ATOM 0 H GLU B 28 -16.104 -19.078 -1.611 1.00 0.00 H new ATOM 0 HA GLU B 28 -14.178 -17.484 -3.121 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -14.615 -20.411 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -13.533 -19.903 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -13.281 -18.737 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -12.574 -20.295 -1.415 1.00 0.00 H new ATOM 454 N GLY B 29 -14.909 -17.805 -5.439 1.00 0.00 N ATOM 455 CA GLY B 29 -15.539 -17.652 -6.733 1.00 0.00 C ATOM 456 C GLY B 29 -16.474 -16.467 -6.726 1.00 0.00 C ATOM 457 O GLY B 29 -17.457 -16.421 -7.465 1.00 0.00 O ATOM 0 H GLY B 29 -13.965 -17.424 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -14.778 -17.518 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -16.091 -18.557 -6.985 1.00 0.00 H new ATOM 461 N GLN B 30 -16.157 -15.509 -5.869 1.00 0.00 N ATOM 462 CA GLN B 30 -17.018 -14.370 -5.628 1.00 0.00 C ATOM 463 C GLN B 30 -16.191 -13.113 -5.378 1.00 0.00 C ATOM 464 O GLN B 30 -15.049 -13.189 -4.917 1.00 0.00 O ATOM 465 CB GLN B 30 -17.931 -14.678 -4.429 1.00 0.00 C ATOM 466 CG GLN B 30 -18.660 -13.472 -3.857 1.00 0.00 C ATOM 467 CD GLN B 30 -17.974 -12.913 -2.623 1.00 0.00 C ATOM 468 OE1 GLN B 30 -18.725 -12.224 -1.790 1.00 0.00 O flip ATOM 469 NE2 GLN B 30 -16.770 -13.066 -2.441 1.00 0.00 N flip ATOM 0 H GLN B 30 -15.295 -15.502 -5.323 1.00 0.00 H new ATOM 0 HA GLN B 30 -17.634 -14.186 -6.508 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -18.669 -15.420 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -17.331 -15.130 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -18.723 -12.694 -4.618 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -19.682 -13.755 -3.605 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -16.218 -13.606 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -16.321 -12.653 -1.623 1.00 0.00 H new ATOM 478 N ASP B 31 -16.764 -11.968 -5.715 1.00 0.00 N ATOM 479 CA ASP B 31 -16.169 -10.681 -5.394 1.00 0.00 C ATOM 480 C ASP B 31 -16.769 -10.161 -4.102 1.00 0.00 C ATOM 481 O ASP B 31 -17.932 -9.749 -4.084 1.00 0.00 O ATOM 482 CB ASP B 31 -16.442 -9.662 -6.500 1.00 0.00 C ATOM 483 CG ASP B 31 -15.742 -9.985 -7.804 1.00 0.00 C ATOM 484 OD1 ASP B 31 -16.244 -10.842 -8.558 1.00 0.00 O ATOM 485 OD2 ASP B 31 -14.688 -9.379 -8.090 1.00 0.00 O ATOM 0 H ASP B 31 -17.650 -11.905 -6.216 1.00 0.00 H new ATOM 0 HA ASP B 31 -15.092 -10.817 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -17.516 -9.608 -6.677 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -16.125 -8.676 -6.161 1.00 0.00 H new ATOM 490 N VAL B 32 -15.999 -10.187 -3.018 1.00 0.00 N ATOM 491 CA VAL B 32 -16.486 -9.685 -1.736 1.00 0.00 C ATOM 492 C VAL B 32 -16.888 -8.223 -1.888 1.00 0.00 C ATOM 493 O VAL B 32 -17.836 -7.752 -1.264 1.00 0.00 O ATOM 494 CB VAL B 32 -15.433 -9.826 -0.610 1.00 0.00 C ATOM 495 CG1 VAL B 32 -14.305 -8.820 -0.775 1.00 0.00 C ATOM 496 CG2 VAL B 32 -16.084 -9.686 0.756 1.00 0.00 C ATOM 0 H VAL B 32 -15.045 -10.546 -3.000 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.348 -10.288 -1.448 1.00 0.00 H new ATOM 0 HB VAL B 32 -15.000 -10.824 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.584 -8.947 0.032 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -13.810 -8.982 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.711 -7.809 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -15.326 -9.788 1.533 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -16.555 -8.706 0.836 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -16.838 -10.463 0.881 1.00 0.00 H new ATOM 506 N VAL B 33 -16.160 -7.535 -2.756 1.00 0.00 N ATOM 507 CA VAL B 33 -16.443 -6.160 -3.107 1.00 0.00 C ATOM 508 C VAL B 33 -17.869 -6.033 -3.596 1.00 0.00 C ATOM 509 O VAL B 33 -18.672 -5.305 -3.021 1.00 0.00 O ATOM 510 CB VAL B 33 -15.522 -5.680 -4.238 1.00 0.00 C ATOM 511 CG1 VAL B 33 -15.499 -4.165 -4.317 1.00 0.00 C ATOM 512 CG2 VAL B 33 -14.127 -6.262 -4.087 1.00 0.00 C ATOM 0 H VAL B 33 -15.350 -7.924 -3.238 1.00 0.00 H new ATOM 0 HA VAL B 33 -16.282 -5.555 -2.214 1.00 0.00 H new ATOM 0 HB VAL B 33 -15.924 -6.045 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -14.839 -3.853 -5.126 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -16.507 -3.795 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -15.135 -3.757 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -13.494 -5.907 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -13.703 -5.947 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -14.181 -7.350 -4.119 1.00 0.00 H new ATOM 522 N GLU B 34 -18.171 -6.779 -4.654 1.00 0.00 N ATOM 523 CA GLU B 34 -19.461 -6.706 -5.315 1.00 0.00 C ATOM 524 C GLU B 34 -20.580 -7.070 -4.350 1.00 0.00 C ATOM 525 O GLU B 34 -21.681 -6.519 -4.419 1.00 0.00 O ATOM 526 CB GLU B 34 -19.480 -7.645 -6.518 1.00 0.00 C ATOM 527 CG GLU B 34 -20.632 -7.380 -7.462 1.00 0.00 C ATOM 528 CD GLU B 34 -20.458 -6.093 -8.241 1.00 0.00 C ATOM 529 OE1 GLU B 34 -21.205 -5.130 -7.981 1.00 0.00 O ATOM 530 OE2 GLU B 34 -19.577 -6.045 -9.127 1.00 0.00 O ATOM 0 H GLU B 34 -17.527 -7.449 -5.074 1.00 0.00 H new ATOM 0 HA GLU B 34 -19.621 -5.683 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.541 -7.546 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -19.537 -8.675 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.726 -8.213 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -21.561 -7.334 -6.893 1.00 0.00 H new ATOM 537 N ALA B 35 -20.282 -7.995 -3.445 1.00 0.00 N ATOM 538 CA ALA B 35 -21.227 -8.383 -2.414 1.00 0.00 C ATOM 539 C ALA B 35 -21.605 -7.166 -1.585 1.00 0.00 C ATOM 540 O ALA B 35 -22.775 -6.904 -1.326 1.00 0.00 O ATOM 541 CB ALA B 35 -20.627 -9.463 -1.525 1.00 0.00 C ATOM 0 H ALA B 35 -19.390 -8.489 -3.407 1.00 0.00 H new ATOM 0 HA ALA B 35 -22.123 -8.786 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -21.347 -9.744 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -20.382 -10.337 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -19.721 -9.083 -1.052 1.00 0.00 H new ATOM 547 N ILE B 36 -20.602 -6.406 -1.199 1.00 0.00 N ATOM 548 CA ILE B 36 -20.823 -5.207 -0.420 1.00 0.00 C ATOM 549 C ILE B 36 -21.494 -4.140 -1.268 1.00 0.00 C ATOM 550 O ILE B 36 -22.579 -3.673 -0.930 1.00 0.00 O ATOM 551 CB ILE B 36 -19.503 -4.653 0.130 1.00 0.00 C ATOM 552 CG1 ILE B 36 -18.715 -5.765 0.808 1.00 0.00 C ATOM 553 CG2 ILE B 36 -19.776 -3.519 1.105 1.00 0.00 C ATOM 554 CD1 ILE B 36 -17.305 -5.373 1.159 1.00 0.00 C ATOM 0 H ILE B 36 -19.623 -6.598 -1.413 1.00 0.00 H new ATOM 0 HA ILE B 36 -21.470 -5.473 0.416 1.00 0.00 H new ATOM 0 HB ILE B 36 -18.910 -4.261 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -19.236 -6.067 1.716 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -18.689 -6.634 0.151 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -18.831 -3.134 1.489 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -20.312 -2.720 0.593 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -20.380 -3.889 1.933 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -16.803 -6.213 1.639 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -16.767 -5.099 0.252 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -17.323 -4.523 1.841 1.00 0.00 H new ATOM 566 N LEU B 37 -20.852 -3.805 -2.393 1.00 0.00 N ATOM 567 CA LEU B 37 -21.299 -2.720 -3.278 1.00 0.00 C ATOM 568 C LEU B 37 -22.812 -2.743 -3.496 1.00 0.00 C ATOM 569 O LEU B 37 -23.475 -1.704 -3.466 1.00 0.00 O ATOM 570 CB LEU B 37 -20.634 -2.824 -4.659 1.00 0.00 C ATOM 571 CG LEU B 37 -19.115 -3.030 -4.696 1.00 0.00 C ATOM 572 CD1 LEU B 37 -18.645 -3.257 -6.127 1.00 0.00 C ATOM 573 CD2 LEU B 37 -18.396 -1.844 -4.092 1.00 0.00 C ATOM 0 H LEU B 37 -20.008 -4.278 -2.717 1.00 0.00 H new ATOM 0 HA LEU B 37 -21.014 -1.793 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -21.099 -3.651 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -20.864 -1.914 -5.213 1.00 0.00 H new ATOM 0 HG LEU B 37 -18.878 -3.913 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -17.565 -3.402 -6.137 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -19.133 -4.142 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -18.900 -2.390 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -17.320 -2.013 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -18.642 -0.944 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -18.708 -1.719 -3.055 1.00 0.00 H new ATOM 585 N ALA B 38 -23.341 -3.937 -3.717 1.00 0.00 N ATOM 586 CA ALA B 38 -24.727 -4.105 -4.119 1.00 0.00 C ATOM 587 C ALA B 38 -25.695 -4.150 -2.940 1.00 0.00 C ATOM 588 O ALA B 38 -26.819 -3.653 -3.038 1.00 0.00 O ATOM 589 CB ALA B 38 -24.858 -5.377 -4.935 1.00 0.00 C ATOM 0 H ALA B 38 -22.824 -4.811 -3.623 1.00 0.00 H new ATOM 0 HA ALA B 38 -24.998 -3.232 -4.712 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -25.896 -5.509 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -24.226 -5.308 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -24.546 -6.230 -4.332 1.00 0.00 H new ATOM 595 N HIS B 39 -25.271 -4.730 -1.825 1.00 0.00 N ATOM 596 CA HIS B 39 -26.203 -5.012 -0.735 1.00 0.00 C ATOM 597 C HIS B 39 -26.577 -3.769 0.057 1.00 0.00 C ATOM 598 O HIS B 39 -27.691 -3.677 0.575 1.00 0.00 O ATOM 599 CB HIS B 39 -25.645 -6.072 0.214 1.00 0.00 C ATOM 600 CG HIS B 39 -25.855 -7.479 -0.257 1.00 0.00 C ATOM 601 ND1 HIS B 39 -25.255 -8.177 -1.245 1.00 0.00 N flip ATOM 602 CD2 HIS B 39 -26.777 -8.333 0.306 1.00 0.00 C flip ATOM 603 CE1 HIS B 39 -25.822 -9.427 -1.267 1.00 0.00 C flip ATOM 604 NE2 HIS B 39 -26.736 -9.495 -0.320 1.00 0.00 N flip ATOM 0 H HIS B 39 -24.306 -5.011 -1.650 1.00 0.00 H new ATOM 0 HA HIS B 39 -27.108 -5.391 -1.209 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -24.577 -5.900 0.348 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -26.112 -5.953 1.191 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -24.516 -7.838 -1.861 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -27.431 -8.090 1.130 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -25.562 -10.224 -1.948 1.00 0.00 H new ATOM 613 N LEU B 40 -25.680 -2.800 0.155 1.00 0.00 N ATOM 614 CA LEU B 40 -26.001 -1.613 0.935 1.00 0.00 C ATOM 615 C LEU B 40 -26.440 -0.454 0.034 1.00 0.00 C ATOM 616 O LEU B 40 -25.661 0.418 -0.343 1.00 0.00 O ATOM 617 CB LEU B 40 -24.859 -1.220 1.906 1.00 0.00 C ATOM 618 CG LEU B 40 -23.709 -0.351 1.372 1.00 0.00 C ATOM 619 CD1 LEU B 40 -22.823 0.094 2.519 1.00 0.00 C ATOM 620 CD2 LEU B 40 -22.873 -1.091 0.350 1.00 0.00 C ATOM 0 H LEU B 40 -24.756 -2.807 -0.278 1.00 0.00 H new ATOM 0 HA LEU B 40 -26.854 -1.861 1.567 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -25.307 -0.695 2.750 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -24.425 -2.140 2.297 1.00 0.00 H new ATOM 0 HG LEU B 40 -24.152 0.517 0.883 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -22.010 0.709 2.133 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -23.412 0.674 3.230 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -22.409 -0.781 3.020 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -22.071 -0.442 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -22.444 -1.982 0.808 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -23.501 -1.382 -0.492 1.00 0.00 H new ATOM 632 N ASN B 41 -27.717 -0.467 -0.322 1.00 0.00 N ATOM 633 CA ASN B 41 -28.320 0.621 -1.089 1.00 0.00 C ATOM 634 C ASN B 41 -28.753 1.738 -0.142 1.00 0.00 C ATOM 635 O ASN B 41 -29.806 2.354 -0.302 1.00 0.00 O ATOM 636 CB ASN B 41 -29.518 0.116 -1.905 1.00 0.00 C ATOM 637 CG ASN B 41 -30.630 -0.469 -1.048 1.00 0.00 C ATOM 638 OD1 ASN B 41 -30.381 -1.093 -0.012 1.00 0.00 O ATOM 639 ND2 ASN B 41 -31.867 -0.265 -1.471 1.00 0.00 N ATOM 0 H ASN B 41 -28.361 -1.223 -0.091 1.00 0.00 H new ATOM 0 HA ASN B 41 -27.579 1.010 -1.787 1.00 0.00 H new ATOM 0 HB2 ASN B 41 -29.919 0.940 -2.495 1.00 0.00 H new ATOM 0 HB3 ASN B 41 -29.175 -0.642 -2.609 1.00 0.00 H new ATOM 0 HD21 ASN B 41 -32.656 -0.628 -0.936 1.00 0.00 H new ATOM 0 HD22 ASN B 41 -32.032 0.256 -2.332 1.00 0.00 H new ATOM 646 N THR B 42 -27.902 1.996 0.835 1.00 0.00 N ATOM 647 CA THR B 42 -28.172 2.962 1.886 1.00 0.00 C ATOM 648 C THR B 42 -27.535 4.310 1.560 1.00 0.00 C ATOM 649 O THR B 42 -28.050 5.365 1.936 1.00 0.00 O ATOM 650 CB THR B 42 -27.622 2.438 3.236 1.00 0.00 C ATOM 651 OG1 THR B 42 -27.788 3.414 4.272 1.00 0.00 O ATOM 652 CG2 THR B 42 -26.147 2.066 3.108 1.00 0.00 C ATOM 0 H THR B 42 -26.995 1.537 0.922 1.00 0.00 H new ATOM 0 HA THR B 42 -29.251 3.097 1.960 1.00 0.00 H new ATOM 0 HB THR B 42 -28.191 1.547 3.503 1.00 0.00 H new ATOM 0 HG1 THR B 42 -27.287 3.136 5.067 1.00 0.00 H new ATOM 0 HG21 THR B 42 -25.779 1.700 4.067 1.00 0.00 H new ATOM 0 HG22 THR B 42 -26.032 1.287 2.354 1.00 0.00 H new ATOM 0 HG23 THR B 42 -25.575 2.945 2.811 1.00 0.00 H new ATOM 660 N VAL B 43 -26.431 4.269 0.832 1.00 0.00 N ATOM 661 CA VAL B 43 -25.652 5.463 0.554 1.00 0.00 C ATOM 662 C VAL B 43 -25.323 5.559 -0.937 1.00 0.00 C ATOM 663 O VAL B 43 -24.887 4.580 -1.549 1.00 0.00 O ATOM 664 CB VAL B 43 -24.349 5.473 1.395 1.00 0.00 C ATOM 665 CG1 VAL B 43 -23.576 4.184 1.208 1.00 0.00 C ATOM 666 CG2 VAL B 43 -23.476 6.670 1.052 1.00 0.00 C ATOM 0 H VAL B 43 -26.053 3.416 0.421 1.00 0.00 H new ATOM 0 HA VAL B 43 -26.250 6.331 0.832 1.00 0.00 H new ATOM 0 HB VAL B 43 -24.636 5.556 2.443 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -22.666 4.215 1.808 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -24.191 3.342 1.525 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -23.314 4.066 0.157 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -22.571 6.646 1.659 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -23.206 6.633 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -24.024 7.590 1.254 1.00 0.00 H new ATOM 676 N PRO B 44 -25.571 6.727 -1.546 1.00 0.00 N ATOM 677 CA PRO B 44 -25.251 6.967 -2.948 1.00 0.00 C ATOM 678 C PRO B 44 -23.779 7.311 -3.145 1.00 0.00 C ATOM 679 O PRO B 44 -23.339 8.425 -2.864 1.00 0.00 O ATOM 680 CB PRO B 44 -26.144 8.155 -3.306 1.00 0.00 C ATOM 681 CG PRO B 44 -26.277 8.919 -2.031 1.00 0.00 C ATOM 682 CD PRO B 44 -26.202 7.906 -0.916 1.00 0.00 C ATOM 0 HA PRO B 44 -25.420 6.091 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -25.697 8.766 -4.090 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -27.115 7.825 -3.674 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -25.482 9.659 -1.937 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -27.222 9.461 -2.000 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -25.610 8.276 -0.079 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -27.191 7.668 -0.525 1.00 0.00 H new ATOM 690 N ARG B 45 -23.021 6.329 -3.599 1.00 0.00 N ATOM 691 CA ARG B 45 -21.592 6.491 -3.798 1.00 0.00 C ATOM 692 C ARG B 45 -21.075 5.488 -4.822 1.00 0.00 C ATOM 693 O ARG B 45 -21.790 4.561 -5.205 1.00 0.00 O ATOM 694 CB ARG B 45 -20.859 6.347 -2.458 1.00 0.00 C ATOM 695 CG ARG B 45 -21.501 5.360 -1.503 1.00 0.00 C ATOM 696 CD ARG B 45 -21.075 3.958 -1.835 1.00 0.00 C ATOM 697 NE ARG B 45 -22.076 2.948 -1.484 1.00 0.00 N ATOM 698 CZ ARG B 45 -22.830 2.299 -2.383 1.00 0.00 C ATOM 699 NH1 ARG B 45 -22.747 2.591 -3.675 1.00 0.00 N ATOM 700 NH2 ARG B 45 -23.675 1.357 -1.991 1.00 0.00 N ATOM 0 H ARG B 45 -23.375 5.403 -3.839 1.00 0.00 H new ATOM 0 HA ARG B 45 -21.399 7.490 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -19.832 6.035 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -20.811 7.323 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -21.219 5.600 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -22.586 5.441 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -20.863 3.894 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -20.145 3.735 -1.311 1.00 0.00 H new ATOM 0 HE ARG B 45 -22.207 2.725 -0.497 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -22.104 3.316 -3.994 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -23.326 2.090 -4.349 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -23.754 1.123 -1.001 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -24.246 0.866 -2.679 1.00 0.00 H new ATOM 714 N THR B 46 -19.839 5.671 -5.258 1.00 0.00 N ATOM 715 CA THR B 46 -19.246 4.797 -6.261 1.00 0.00 C ATOM 716 C THR B 46 -18.825 3.471 -5.648 1.00 0.00 C ATOM 717 O THR B 46 -18.939 3.267 -4.437 1.00 0.00 O ATOM 718 CB THR B 46 -18.022 5.456 -6.916 1.00 0.00 C ATOM 719 OG1 THR B 46 -17.022 5.734 -5.929 1.00 0.00 O ATOM 720 CG2 THR B 46 -18.414 6.748 -7.603 1.00 0.00 C ATOM 0 H THR B 46 -19.225 6.418 -4.933 1.00 0.00 H new ATOM 0 HA THR B 46 -20.007 4.618 -7.021 1.00 0.00 H new ATOM 0 HB THR B 46 -17.622 4.764 -7.657 1.00 0.00 H new ATOM 0 HG1 THR B 46 -16.726 6.664 -6.016 1.00 0.00 H new ATOM 0 HG21 THR B 46 -17.533 7.199 -8.060 1.00 0.00 H new ATOM 0 HG22 THR B 46 -19.156 6.540 -8.373 1.00 0.00 H new ATOM 0 HG23 THR B 46 -18.835 7.437 -6.870 1.00 0.00 H new ATOM 728 N ARG B 47 -18.331 2.571 -6.486 1.00 0.00 N ATOM 729 CA ARG B 47 -17.850 1.287 -6.011 1.00 0.00 C ATOM 730 C ARG B 47 -16.514 1.480 -5.304 1.00 0.00 C ATOM 731 O ARG B 47 -16.175 0.756 -4.367 1.00 0.00 O ATOM 732 CB ARG B 47 -17.716 0.301 -7.175 1.00 0.00 C ATOM 733 CG ARG B 47 -18.992 0.142 -7.999 1.00 0.00 C ATOM 734 CD ARG B 47 -20.208 -0.065 -7.108 1.00 0.00 C ATOM 735 NE ARG B 47 -21.421 -0.359 -7.870 1.00 0.00 N ATOM 736 CZ ARG B 47 -22.637 -0.460 -7.329 1.00 0.00 C ATOM 737 NH1 ARG B 47 -22.801 -0.299 -6.022 1.00 0.00 N ATOM 738 NH2 ARG B 47 -23.685 -0.728 -8.095 1.00 0.00 N ATOM 0 H ARG B 47 -18.254 2.708 -7.494 1.00 0.00 H new ATOM 0 HA ARG B 47 -18.567 0.870 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -16.911 0.634 -7.830 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -17.425 -0.673 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -19.139 1.027 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -18.886 -0.706 -8.675 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -20.011 -0.884 -6.416 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -20.369 0.830 -6.506 1.00 0.00 H new ATOM 0 HE ARG B 47 -21.332 -0.495 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -21.997 -0.097 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -23.731 -0.377 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -23.563 -0.857 -9.099 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -24.614 -0.805 -7.680 1.00 0.00 H new ATOM 752 N LYS B 48 -15.781 2.493 -5.753 1.00 0.00 N ATOM 753 CA LYS B 48 -14.516 2.879 -5.147 1.00 0.00 C ATOM 754 C LYS B 48 -14.718 3.316 -3.703 1.00 0.00 C ATOM 755 O LYS B 48 -13.878 3.057 -2.837 1.00 0.00 O ATOM 756 CB LYS B 48 -13.895 4.031 -5.939 1.00 0.00 C ATOM 757 CG LYS B 48 -12.603 4.563 -5.341 1.00 0.00 C ATOM 758 CD LYS B 48 -12.076 5.759 -6.118 1.00 0.00 C ATOM 759 CE LYS B 48 -12.896 7.018 -5.860 1.00 0.00 C ATOM 760 NZ LYS B 48 -12.606 7.626 -4.531 1.00 0.00 N ATOM 0 H LYS B 48 -16.050 3.070 -6.550 1.00 0.00 H new ATOM 0 HA LYS B 48 -13.851 2.015 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.701 3.696 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -14.617 4.845 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.773 4.849 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -11.852 3.773 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.037 5.941 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -12.087 5.532 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -12.690 7.748 -6.643 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.957 6.776 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.465 7.605 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.852 7.087 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.298 8.611 -4.660 1.00 0.00 H new ATOM 774 N GLN B 49 -15.835 3.988 -3.453 1.00 0.00 N ATOM 775 CA GLN B 49 -16.144 4.506 -2.129 1.00 0.00 C ATOM 776 C GLN B 49 -16.243 3.380 -1.103 1.00 0.00 C ATOM 777 O GLN B 49 -15.779 3.527 0.026 1.00 0.00 O ATOM 778 CB GLN B 49 -17.440 5.316 -2.175 1.00 0.00 C ATOM 779 CG GLN B 49 -17.325 6.584 -3.011 1.00 0.00 C ATOM 780 CD GLN B 49 -16.457 7.632 -2.359 1.00 0.00 C ATOM 781 OE1 GLN B 49 -15.244 7.662 -2.558 1.00 0.00 O ATOM 782 NE2 GLN B 49 -17.081 8.503 -1.579 1.00 0.00 N ATOM 0 H GLN B 49 -16.546 4.187 -4.157 1.00 0.00 H new ATOM 0 HA GLN B 49 -15.331 5.161 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -18.237 4.692 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -17.730 5.583 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -16.914 6.334 -3.989 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -18.320 6.995 -3.179 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -18.090 8.436 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -16.552 9.240 -1.112 1.00 0.00 H new ATOM 791 N ILE B 50 -16.824 2.255 -1.509 1.00 0.00 N ATOM 792 CA ILE B 50 -16.906 1.083 -0.643 1.00 0.00 C ATOM 793 C ILE B 50 -15.505 0.600 -0.280 1.00 0.00 C ATOM 794 O ILE B 50 -15.155 0.500 0.899 1.00 0.00 O ATOM 795 CB ILE B 50 -17.703 -0.072 -1.310 1.00 0.00 C ATOM 796 CG1 ILE B 50 -19.211 0.202 -1.262 1.00 0.00 C ATOM 797 CG2 ILE B 50 -17.380 -1.418 -0.667 1.00 0.00 C ATOM 798 CD1 ILE B 50 -19.763 0.840 -2.521 1.00 0.00 C ATOM 0 H ILE B 50 -17.244 2.130 -2.430 1.00 0.00 H new ATOM 0 HA ILE B 50 -17.438 1.379 0.261 1.00 0.00 H new ATOM 0 HB ILE B 50 -17.396 -0.120 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -19.735 -0.737 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -19.425 0.852 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -17.955 -2.203 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -16.316 -1.626 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -17.639 -1.387 0.391 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -20.835 1.001 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -19.268 1.796 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -19.583 0.182 -3.371 1.00 0.00 H new ATOM 810 N ILE B 51 -14.705 0.348 -1.304 1.00 0.00 N ATOM 811 CA ILE B 51 -13.361 -0.183 -1.130 1.00 0.00 C ATOM 812 C ILE B 51 -12.503 0.746 -0.286 1.00 0.00 C ATOM 813 O ILE B 51 -11.802 0.309 0.627 1.00 0.00 O ATOM 814 CB ILE B 51 -12.672 -0.384 -2.490 1.00 0.00 C ATOM 815 CG1 ILE B 51 -13.535 -1.259 -3.395 1.00 0.00 C ATOM 816 CG2 ILE B 51 -11.293 -1.000 -2.300 1.00 0.00 C ATOM 817 CD1 ILE B 51 -13.017 -1.350 -4.811 1.00 0.00 C ATOM 0 H ILE B 51 -14.968 0.505 -2.277 1.00 0.00 H new ATOM 0 HA ILE B 51 -13.462 -1.142 -0.621 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.549 0.588 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.592 -2.262 -2.972 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.550 -0.862 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.818 -1.136 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -10.681 -0.339 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -11.391 -1.967 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.677 -1.987 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -12.986 -0.354 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -12.013 -1.775 -4.805 1.00 0.00 H new ATOM 829 N HIS B 52 -12.573 2.032 -0.595 1.00 0.00 N ATOM 830 CA HIS B 52 -11.731 3.018 0.060 1.00 0.00 C ATOM 831 C HIS B 52 -11.970 3.071 1.560 1.00 0.00 C ATOM 832 O HIS B 52 -11.022 3.196 2.320 1.00 0.00 O ATOM 833 CB HIS B 52 -11.922 4.399 -0.561 1.00 0.00 C ATOM 834 CG HIS B 52 -10.908 4.706 -1.619 1.00 0.00 C ATOM 835 ND1 HIS B 52 -10.153 5.857 -1.623 1.00 0.00 N ATOM 836 CD2 HIS B 52 -10.518 3.999 -2.708 1.00 0.00 C ATOM 837 CE1 HIS B 52 -9.340 5.847 -2.659 1.00 0.00 C ATOM 838 NE2 HIS B 52 -9.540 4.731 -3.337 1.00 0.00 N ATOM 0 H HIS B 52 -13.206 2.416 -1.297 1.00 0.00 H new ATOM 0 HA HIS B 52 -10.698 2.705 -0.095 1.00 0.00 H new ATOM 0 HB2 HIS B 52 -12.921 4.463 -0.992 1.00 0.00 H new ATOM 0 HB3 HIS B 52 -11.864 5.155 0.222 1.00 0.00 H new ATOM 0 HD2 HIS B 52 -10.904 3.040 -3.022 1.00 0.00 H new ATOM 0 HE1 HIS B 52 -8.630 6.620 -2.912 1.00 0.00 H new ATOM 0 HE2 HIS B 52 -9.049 4.457 -4.188 1.00 0.00 H new ATOM 847 N HIS B 53 -13.218 2.957 1.992 1.00 0.00 N ATOM 848 CA HIS B 53 -13.515 2.994 3.425 1.00 0.00 C ATOM 849 C HIS B 53 -13.007 1.736 4.118 1.00 0.00 C ATOM 850 O HIS B 53 -12.653 1.764 5.290 1.00 0.00 O ATOM 851 CB HIS B 53 -15.011 3.141 3.688 1.00 0.00 C ATOM 852 CG HIS B 53 -15.574 4.474 3.313 1.00 0.00 C ATOM 853 ND1 HIS B 53 -15.047 5.664 3.754 1.00 0.00 N ATOM 854 CD2 HIS B 53 -16.627 4.802 2.529 1.00 0.00 C ATOM 855 CE1 HIS B 53 -15.743 6.664 3.260 1.00 0.00 C ATOM 856 NE2 HIS B 53 -16.714 6.173 2.511 1.00 0.00 N ATOM 0 H HIS B 53 -14.031 2.840 1.387 1.00 0.00 H new ATOM 0 HA HIS B 53 -13.002 3.866 3.831 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -15.543 2.367 3.135 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -15.201 2.964 4.747 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -17.279 4.113 2.013 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -15.553 7.712 3.437 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -17.411 6.719 2.005 1.00 0.00 H new ATOM 865 N LEU B 54 -12.957 0.642 3.375 1.00 0.00 N ATOM 866 CA LEU B 54 -12.546 -0.647 3.923 1.00 0.00 C ATOM 867 C LEU B 54 -11.040 -0.678 4.141 1.00 0.00 C ATOM 868 O LEU B 54 -10.557 -1.040 5.217 1.00 0.00 O ATOM 869 CB LEU B 54 -12.960 -1.786 2.985 1.00 0.00 C ATOM 870 CG LEU B 54 -14.460 -2.092 2.933 1.00 0.00 C ATOM 871 CD1 LEU B 54 -14.761 -3.012 1.760 1.00 0.00 C ATOM 872 CD2 LEU B 54 -14.926 -2.731 4.240 1.00 0.00 C ATOM 0 H LEU B 54 -13.197 0.618 2.384 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.044 -0.783 4.883 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.622 -1.543 1.977 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -12.434 -2.691 3.288 1.00 0.00 H new ATOM 0 HG LEU B 54 -15.002 -1.156 2.799 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -15.830 -3.225 1.730 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -14.461 -2.527 0.831 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -14.208 -3.944 1.878 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -15.994 -2.940 4.182 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -14.382 -3.661 4.404 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -14.734 -2.048 5.068 1.00 0.00 H new ATOM 884 N VAL B 55 -10.300 -0.285 3.114 1.00 0.00 N ATOM 885 CA VAL B 55 -8.846 -0.276 3.183 1.00 0.00 C ATOM 886 C VAL B 55 -8.362 0.828 4.113 1.00 0.00 C ATOM 887 O VAL B 55 -7.339 0.693 4.781 1.00 0.00 O ATOM 888 CB VAL B 55 -8.222 -0.113 1.779 1.00 0.00 C ATOM 889 CG1 VAL B 55 -8.734 -1.202 0.855 1.00 0.00 C ATOM 890 CG2 VAL B 55 -8.515 1.259 1.189 1.00 0.00 C ATOM 0 H VAL B 55 -10.683 0.032 2.223 1.00 0.00 H new ATOM 0 HA VAL B 55 -8.523 -1.236 3.585 1.00 0.00 H new ATOM 0 HB VAL B 55 -7.141 -0.204 1.881 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -8.289 -1.080 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -8.462 -2.178 1.257 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -9.819 -1.132 0.776 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -8.060 1.335 0.202 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -9.593 1.395 1.103 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -8.102 2.030 1.839 1.00 0.00 H new ATOM 900 N GLN B 56 -9.128 1.906 4.175 1.00 0.00 N ATOM 901 CA GLN B 56 -8.832 3.010 5.069 1.00 0.00 C ATOM 902 C GLN B 56 -9.195 2.662 6.507 1.00 0.00 C ATOM 903 O GLN B 56 -8.725 3.306 7.443 1.00 0.00 O ATOM 904 CB GLN B 56 -9.588 4.261 4.628 1.00 0.00 C ATOM 905 CG GLN B 56 -8.828 5.121 3.628 1.00 0.00 C ATOM 906 CD GLN B 56 -9.651 6.292 3.130 1.00 0.00 C ATOM 907 OE1 GLN B 56 -9.635 7.378 3.711 1.00 0.00 O ATOM 908 NE2 GLN B 56 -10.392 6.070 2.057 1.00 0.00 N ATOM 0 H GLN B 56 -9.967 2.038 3.610 1.00 0.00 H new ATOM 0 HA GLN B 56 -7.760 3.204 5.024 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -10.539 3.962 4.187 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -9.820 4.862 5.507 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -7.915 5.494 4.093 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -8.526 4.506 2.780 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -10.376 5.155 1.606 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -10.980 6.814 1.680 1.00 0.00 H new ATOM 917 N MET B 57 -10.034 1.646 6.681 1.00 0.00 N ATOM 918 CA MET B 57 -10.461 1.245 8.012 1.00 0.00 C ATOM 919 C MET B 57 -9.422 0.339 8.649 1.00 0.00 C ATOM 920 O MET B 57 -9.474 0.055 9.846 1.00 0.00 O ATOM 921 CB MET B 57 -11.815 0.544 7.947 1.00 0.00 C ATOM 922 CG MET B 57 -12.620 0.645 9.234 1.00 0.00 C ATOM 923 SD MET B 57 -14.226 -0.168 9.123 1.00 0.00 S ATOM 924 CE MET B 57 -14.861 0.533 7.602 1.00 0.00 C ATOM 0 H MET B 57 -10.428 1.090 5.922 1.00 0.00 H new ATOM 0 HA MET B 57 -10.565 2.138 8.628 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.397 0.972 7.131 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.658 -0.508 7.709 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.049 0.201 10.049 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.767 1.696 9.483 1.00 0.00 H new ATOM 0 HE1 MET B 57 -15.943 0.405 7.566 1.00 0.00 H new ATOM 0 HE2 MET B 57 -14.619 1.595 7.562 1.00 0.00 H new ATOM 0 HE3 MET B 57 -14.408 0.026 6.750 1.00 0.00 H new ATOM 934 N GLY B 58 -8.469 -0.102 7.843 1.00 0.00 N ATOM 935 CA GLY B 58 -7.405 -0.945 8.346 1.00 0.00 C ATOM 936 C GLY B 58 -7.772 -2.413 8.337 1.00 0.00 C ATOM 937 O GLY B 58 -6.988 -3.259 8.769 1.00 0.00 O ATOM 0 H GLY B 58 -8.413 0.109 6.847 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -6.511 -0.794 7.742 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -7.157 -0.643 9.363 1.00 0.00 H new ATOM 941 N LEU B 59 -8.963 -2.721 7.840 1.00 0.00 N ATOM 942 CA LEU B 59 -9.419 -4.104 7.761 1.00 0.00 C ATOM 943 C LEU B 59 -8.961 -4.729 6.450 1.00 0.00 C ATOM 944 O LEU B 59 -9.086 -5.935 6.238 1.00 0.00 O ATOM 945 CB LEU B 59 -10.940 -4.180 7.921 1.00 0.00 C ATOM 946 CG LEU B 59 -11.755 -3.399 6.894 1.00 0.00 C ATOM 947 CD1 LEU B 59 -12.065 -4.261 5.684 1.00 0.00 C ATOM 948 CD2 LEU B 59 -13.031 -2.883 7.519 1.00 0.00 C ATOM 0 H LEU B 59 -9.629 -2.035 7.486 1.00 0.00 H new ATOM 0 HA LEU B 59 -8.977 -4.673 8.579 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.240 -5.227 7.875 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -11.201 -3.818 8.915 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.162 -2.547 6.561 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -12.647 -3.684 4.965 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.134 -4.585 5.220 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -12.638 -5.134 5.996 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -13.602 -2.328 6.775 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -13.625 -3.723 7.880 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -12.787 -2.226 8.354 1.00 0.00 H new ATOM 960 N ALA B 60 -8.436 -3.886 5.572 1.00 0.00 N ATOM 961 CA ALA B 60 -7.823 -4.349 4.333 1.00 0.00 C ATOM 962 C ALA B 60 -6.478 -3.667 4.128 1.00 0.00 C ATOM 963 O ALA B 60 -6.180 -2.673 4.794 1.00 0.00 O ATOM 964 CB ALA B 60 -8.732 -4.075 3.146 1.00 0.00 C ATOM 0 H ALA B 60 -8.422 -2.874 5.695 1.00 0.00 H new ATOM 0 HA ALA B 60 -7.670 -5.426 4.408 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -8.254 -4.429 2.232 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -9.679 -4.596 3.285 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -8.915 -3.003 3.068 1.00 0.00 H new ATOM 970 N ASP B 61 -5.669 -4.204 3.221 1.00 0.00 N ATOM 971 CA ASP B 61 -4.374 -3.603 2.906 1.00 0.00 C ATOM 972 C ASP B 61 -4.545 -2.354 2.068 1.00 0.00 C ATOM 973 O ASP B 61 -4.254 -1.246 2.520 1.00 0.00 O ATOM 974 CB ASP B 61 -3.464 -4.580 2.158 1.00 0.00 C ATOM 975 CG ASP B 61 -2.815 -5.592 3.077 1.00 0.00 C ATOM 976 OD1 ASP B 61 -3.239 -6.768 3.067 1.00 0.00 O ATOM 977 OD2 ASP B 61 -1.871 -5.222 3.810 1.00 0.00 O ATOM 0 H ASP B 61 -5.884 -5.050 2.693 1.00 0.00 H new ATOM 0 HA ASP B 61 -3.909 -3.345 3.857 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -4.046 -5.104 1.400 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -2.689 -4.020 1.635 1.00 0.00 H new ATOM 982 N SER B 62 -5.029 -2.536 0.851 1.00 0.00 N ATOM 983 CA SER B 62 -5.169 -1.436 -0.078 1.00 0.00 C ATOM 984 C SER B 62 -6.216 -1.749 -1.139 1.00 0.00 C ATOM 985 O SER B 62 -6.736 -2.864 -1.206 1.00 0.00 O ATOM 986 CB SER B 62 -3.822 -1.135 -0.727 1.00 0.00 C ATOM 987 OG SER B 62 -3.220 -2.317 -1.226 1.00 0.00 O ATOM 0 H SER B 62 -5.331 -3.439 0.486 1.00 0.00 H new ATOM 0 HA SER B 62 -5.504 -0.556 0.471 1.00 0.00 H new ATOM 0 HB2 SER B 62 -3.958 -0.422 -1.540 1.00 0.00 H new ATOM 0 HB3 SER B 62 -3.161 -0.666 0.002 1.00 0.00 H new ATOM 0 HG SER B 62 -3.889 -3.032 -1.269 1.00 0.00 H new ATOM 993 N VAL B 63 -6.516 -0.758 -1.966 1.00 0.00 N ATOM 994 CA VAL B 63 -7.542 -0.883 -2.996 1.00 0.00 C ATOM 995 C VAL B 63 -7.157 -1.920 -4.045 1.00 0.00 C ATOM 996 O VAL B 63 -8.016 -2.560 -4.638 1.00 0.00 O ATOM 997 CB VAL B 63 -7.794 0.479 -3.677 1.00 0.00 C ATOM 998 CG1 VAL B 63 -8.827 0.367 -4.792 1.00 0.00 C ATOM 999 CG2 VAL B 63 -8.233 1.493 -2.636 1.00 0.00 C ATOM 0 H VAL B 63 -6.058 0.153 -1.944 1.00 0.00 H new ATOM 0 HA VAL B 63 -8.458 -1.216 -2.507 1.00 0.00 H new ATOM 0 HB VAL B 63 -6.863 0.813 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -8.978 1.346 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -8.472 -0.334 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -9.770 0.010 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -8.411 2.455 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -9.151 1.151 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -7.452 1.603 -1.883 1.00 0.00 H new ATOM 1009 N LYS B 64 -5.859 -2.096 -4.237 1.00 0.00 N ATOM 1010 CA LYS B 64 -5.332 -3.018 -5.241 1.00 0.00 C ATOM 1011 C LYS B 64 -5.738 -4.450 -4.928 1.00 0.00 C ATOM 1012 O LYS B 64 -5.863 -5.292 -5.812 1.00 0.00 O ATOM 1013 CB LYS B 64 -3.816 -2.894 -5.256 1.00 0.00 C ATOM 1014 CG LYS B 64 -3.093 -3.837 -4.310 1.00 0.00 C ATOM 1015 CD LYS B 64 -1.644 -3.427 -4.140 1.00 0.00 C ATOM 1016 CE LYS B 64 -0.897 -4.369 -3.211 1.00 0.00 C ATOM 1017 NZ LYS B 64 -1.530 -4.450 -1.863 1.00 0.00 N ATOM 0 H LYS B 64 -5.140 -1.607 -3.705 1.00 0.00 H new ATOM 0 HA LYS B 64 -5.741 -2.764 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -3.460 -3.075 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -3.546 -1.869 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -3.591 -3.838 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -3.144 -4.855 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -1.154 -3.412 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -1.597 -2.413 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -0.864 -5.364 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS B 64 0.134 -4.032 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -0.798 -4.629 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -2.011 -3.552 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -2.223 -5.225 -1.851 1.00 0.00 H new ATOM 1031 N ASP B 65 -5.922 -4.704 -3.649 1.00 0.00 N ATOM 1032 CA ASP B 65 -6.336 -6.018 -3.167 1.00 0.00 C ATOM 1033 C ASP B 65 -7.769 -6.329 -3.598 1.00 0.00 C ATOM 1034 O ASP B 65 -8.185 -7.488 -3.628 1.00 0.00 O ATOM 1035 CB ASP B 65 -6.202 -6.078 -1.646 1.00 0.00 C ATOM 1036 CG ASP B 65 -4.768 -5.886 -1.190 1.00 0.00 C ATOM 1037 OD1 ASP B 65 -4.293 -4.727 -1.151 1.00 0.00 O ATOM 1038 OD2 ASP B 65 -4.101 -6.894 -0.875 1.00 0.00 O ATOM 0 H ASP B 65 -5.791 -4.012 -2.911 1.00 0.00 H new ATOM 0 HA ASP B 65 -5.685 -6.774 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -6.831 -5.309 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -6.570 -7.040 -1.288 1.00 0.00 H new ATOM 1043 N PHE B 66 -8.512 -5.280 -3.931 1.00 0.00 N ATOM 1044 CA PHE B 66 -9.872 -5.415 -4.441 1.00 0.00 C ATOM 1045 C PHE B 66 -9.858 -5.225 -5.950 1.00 0.00 C ATOM 1046 O PHE B 66 -10.443 -6.001 -6.708 1.00 0.00 O ATOM 1047 CB PHE B 66 -10.792 -4.347 -3.836 1.00 0.00 C ATOM 1048 CG PHE B 66 -10.940 -4.392 -2.341 1.00 0.00 C ATOM 1049 CD1 PHE B 66 -12.198 -4.454 -1.766 1.00 0.00 C ATOM 1050 CD2 PHE B 66 -9.832 -4.353 -1.513 1.00 0.00 C ATOM 1051 CE1 PHE B 66 -12.347 -4.479 -0.397 1.00 0.00 C ATOM 1052 CE2 PHE B 66 -9.974 -4.381 -0.145 1.00 0.00 C ATOM 1053 CZ PHE B 66 -11.232 -4.442 0.417 1.00 0.00 C ATOM 0 H PHE B 66 -8.190 -4.315 -3.856 1.00 0.00 H new ATOM 0 HA PHE B 66 -10.242 -6.404 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -10.413 -3.364 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -11.780 -4.447 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -13.073 -4.483 -2.399 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -8.844 -4.300 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -13.334 -4.527 0.039 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -9.100 -4.355 0.489 1.00 0.00 H new ATOM 0 HZ PHE B 66 -11.345 -4.461 1.491 1.00 0.00 H new ATOM 1184 N VAL B 74 4.288 5.528 -5.714 1.00 0.00 N ATOM 1185 CA VAL B 74 5.045 6.684 -5.344 1.00 0.00 C ATOM 1186 C VAL B 74 5.631 7.303 -6.583 1.00 0.00 C ATOM 1187 O VAL B 74 6.139 6.595 -7.442 1.00 0.00 O ATOM 1188 CB VAL B 74 6.158 6.252 -4.382 1.00 0.00 C ATOM 1189 CG1 VAL B 74 7.003 7.427 -3.942 1.00 0.00 C ATOM 1190 CG2 VAL B 74 5.548 5.535 -3.192 1.00 0.00 C ATOM 0 HA VAL B 74 4.409 7.419 -4.851 1.00 0.00 H new ATOM 0 HB VAL B 74 6.824 5.566 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL B 74 7.781 7.081 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL B 74 7.464 7.890 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL B 74 6.374 8.157 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL B 74 6.339 5.228 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL B 74 4.862 6.206 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL B 74 5.004 4.655 -3.537 1.00 0.00 H new ATOM 1200 N LEU B 75 5.498 8.609 -6.682 1.00 0.00 N ATOM 1201 CA LEU B 75 6.032 9.365 -7.798 1.00 0.00 C ATOM 1202 C LEU B 75 7.481 8.968 -8.079 1.00 0.00 C ATOM 1203 O LEU B 75 8.418 9.437 -7.440 1.00 0.00 O ATOM 1204 CB LEU B 75 5.916 10.869 -7.507 1.00 0.00 C ATOM 1205 CG LEU B 75 6.758 11.422 -6.341 1.00 0.00 C ATOM 1206 CD1 LEU B 75 6.787 12.929 -6.410 1.00 0.00 C ATOM 1207 CD2 LEU B 75 6.221 10.993 -4.980 1.00 0.00 C ATOM 0 H LEU B 75 5.015 9.180 -5.988 1.00 0.00 H new ATOM 0 HA LEU B 75 5.451 9.137 -8.692 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.192 11.411 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.869 11.096 -7.306 1.00 0.00 H new ATOM 0 HG LEU B 75 7.763 11.012 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU B 75 7.383 13.320 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU B 75 7.229 13.241 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU B 75 5.771 13.316 -6.339 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.850 11.409 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.201 11.358 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU B 75 6.228 9.905 -4.913 1.00 0.00 H new ATOM 1219 N TRP B 76 7.645 8.047 -9.010 1.00 0.00 N ATOM 1220 CA TRP B 76 8.954 7.533 -9.343 1.00 0.00 C ATOM 1221 C TRP B 76 9.525 8.269 -10.545 1.00 0.00 C ATOM 1222 O TRP B 76 9.068 8.101 -11.675 1.00 0.00 O ATOM 1223 CB TRP B 76 8.879 6.019 -9.598 1.00 0.00 C ATOM 1224 CG TRP B 76 8.879 5.195 -8.342 1.00 0.00 C ATOM 1225 CD1 TRP B 76 7.889 4.360 -7.912 1.00 0.00 C ATOM 1226 CD2 TRP B 76 9.916 5.128 -7.357 1.00 0.00 C ATOM 1227 NE1 TRP B 76 8.237 3.789 -6.709 1.00 0.00 N ATOM 1228 CE2 TRP B 76 9.479 4.244 -6.350 1.00 0.00 C ATOM 1229 CE3 TRP B 76 11.165 5.734 -7.225 1.00 0.00 C ATOM 1230 CZ2 TRP B 76 10.251 3.951 -5.231 1.00 0.00 C ATOM 1231 CZ3 TRP B 76 11.930 5.442 -6.113 1.00 0.00 C ATOM 1232 CH2 TRP B 76 11.470 4.559 -5.129 1.00 0.00 C ATOM 0 H TRP B 76 6.882 7.640 -9.550 1.00 0.00 H new ATOM 0 HA TRP B 76 9.626 7.701 -8.501 1.00 0.00 H new ATOM 0 HB2 TRP B 76 7.975 5.799 -10.166 1.00 0.00 H new ATOM 0 HB3 TRP B 76 9.725 5.721 -10.217 1.00 0.00 H new ATOM 0 HD1 TRP B 76 6.965 4.174 -8.440 1.00 0.00 H new ATOM 0 HE1 TRP B 76 7.665 3.136 -6.173 1.00 0.00 H new ATOM 0 HE3 TRP B 76 11.527 6.418 -7.978 1.00 0.00 H new ATOM 0 HZ2 TRP B 76 9.900 3.268 -4.471 1.00 0.00 H new ATOM 0 HZ3 TRP B 76 12.900 5.903 -6.001 1.00 0.00 H new ATOM 0 HH2 TRP B 76 12.092 4.354 -4.271 1.00 0.00 H new ATOM 1243 N THR B 77 10.520 9.096 -10.275 1.00 0.00 N ATOM 1244 CA THR B 77 11.191 9.869 -11.302 1.00 0.00 C ATOM 1245 C THR B 77 12.678 9.548 -11.265 1.00 0.00 C ATOM 1246 O THR B 77 13.116 8.802 -10.394 1.00 0.00 O ATOM 1247 CB THR B 77 10.986 11.384 -11.072 1.00 0.00 C ATOM 1248 OG1 THR B 77 11.655 11.799 -9.871 1.00 0.00 O ATOM 1249 CG2 THR B 77 9.503 11.722 -10.955 1.00 0.00 C ATOM 0 H THR B 77 10.885 9.250 -9.335 1.00 0.00 H new ATOM 0 HA THR B 77 10.770 9.609 -12.273 1.00 0.00 H new ATOM 0 HB THR B 77 11.405 11.911 -11.929 1.00 0.00 H new ATOM 0 HG1 THR B 77 11.520 12.760 -9.737 1.00 0.00 H new ATOM 0 HG21 THR B 77 9.386 12.794 -10.794 1.00 0.00 H new ATOM 0 HG22 THR B 77 8.991 11.435 -11.873 1.00 0.00 H new ATOM 0 HG23 THR B 77 9.071 11.179 -10.114 1.00 0.00 H new ATOM 1257 N GLY B 78 13.451 10.106 -12.187 1.00 0.00 N ATOM 1258 CA GLY B 78 14.888 9.889 -12.174 1.00 0.00 C ATOM 1259 C GLY B 78 15.515 10.423 -10.904 1.00 0.00 C ATOM 1260 O GLY B 78 16.364 9.772 -10.296 1.00 0.00 O ATOM 0 H GLY B 78 13.113 10.703 -12.942 1.00 0.00 H new ATOM 0 HA2 GLY B 78 15.098 8.823 -12.265 1.00 0.00 H new ATOM 0 HA3 GLY B 78 15.339 10.377 -13.038 1.00 0.00 H new ATOM 1264 N ASP B 79 15.072 11.605 -10.501 1.00 0.00 N ATOM 1265 CA ASP B 79 15.527 12.236 -9.268 1.00 0.00 C ATOM 1266 C ASP B 79 15.113 11.407 -8.053 1.00 0.00 C ATOM 1267 O ASP B 79 15.937 11.082 -7.200 1.00 0.00 O ATOM 1268 CB ASP B 79 14.925 13.640 -9.173 1.00 0.00 C ATOM 1269 CG ASP B 79 15.335 14.390 -7.920 1.00 0.00 C ATOM 1270 OD1 ASP B 79 14.629 14.277 -6.895 1.00 0.00 O ATOM 1271 OD2 ASP B 79 16.344 15.126 -7.960 1.00 0.00 O ATOM 0 H ASP B 79 14.387 12.155 -11.019 1.00 0.00 H new ATOM 0 HA ASP B 79 16.615 12.301 -9.281 1.00 0.00 H new ATOM 0 HB2 ASP B 79 15.227 14.216 -10.047 1.00 0.00 H new ATOM 0 HB3 ASP B 79 13.838 13.564 -9.202 1.00 0.00 H new ATOM 1276 N GLN B 80 13.833 11.043 -8.011 1.00 0.00 N ATOM 1277 CA GLN B 80 13.270 10.279 -6.898 1.00 0.00 C ATOM 1278 C GLN B 80 13.943 8.911 -6.801 1.00 0.00 C ATOM 1279 O GLN B 80 14.135 8.365 -5.711 1.00 0.00 O ATOM 1280 CB GLN B 80 11.759 10.106 -7.116 1.00 0.00 C ATOM 1281 CG GLN B 80 10.909 10.203 -5.854 1.00 0.00 C ATOM 1282 CD GLN B 80 10.811 8.891 -5.105 1.00 0.00 C ATOM 1283 OE1 GLN B 80 11.594 8.619 -4.200 1.00 0.00 O ATOM 1284 NE2 GLN B 80 9.848 8.060 -5.486 1.00 0.00 N ATOM 0 H GLN B 80 13.159 11.268 -8.743 1.00 0.00 H new ATOM 0 HA GLN B 80 13.445 10.818 -5.967 1.00 0.00 H new ATOM 0 HB2 GLN B 80 11.420 10.864 -7.823 1.00 0.00 H new ATOM 0 HB3 GLN B 80 11.583 9.136 -7.580 1.00 0.00 H new ATOM 0 HG2 GLN B 80 11.332 10.961 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN B 80 9.907 10.538 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN B 80 9.217 8.323 -6.243 1.00 0.00 H new ATOM 0 HE22 GLN B 80 9.739 7.158 -5.022 1.00 0.00 H new ATOM 1293 N GLU B 81 14.310 8.374 -7.954 1.00 0.00 N ATOM 1294 CA GLU B 81 14.923 7.059 -8.036 1.00 0.00 C ATOM 1295 C GLU B 81 16.398 7.122 -7.650 1.00 0.00 C ATOM 1296 O GLU B 81 16.902 6.232 -6.967 1.00 0.00 O ATOM 1297 CB GLU B 81 14.751 6.511 -9.446 1.00 0.00 C ATOM 1298 CG GLU B 81 15.176 5.066 -9.606 1.00 0.00 C ATOM 1299 CD GLU B 81 14.663 4.465 -10.893 1.00 0.00 C ATOM 1300 OE1 GLU B 81 15.427 4.397 -11.874 1.00 0.00 O ATOM 1301 OE2 GLU B 81 13.478 4.066 -10.931 1.00 0.00 O ATOM 0 H GLU B 81 14.192 8.836 -8.856 1.00 0.00 H new ATOM 0 HA GLU B 81 14.430 6.389 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU B 81 13.704 6.604 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU B 81 15.328 7.126 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU B 81 16.264 5.004 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU B 81 14.807 4.484 -8.762 1.00 0.00 H new ATOM 1308 N LEU B 82 17.085 8.176 -8.079 1.00 0.00 N ATOM 1309 CA LEU B 82 18.465 8.392 -7.662 1.00 0.00 C ATOM 1310 C LEU B 82 18.519 8.562 -6.153 1.00 0.00 C ATOM 1311 O LEU B 82 19.424 8.048 -5.488 1.00 0.00 O ATOM 1312 CB LEU B 82 19.067 9.627 -8.325 1.00 0.00 C ATOM 1313 CG LEU B 82 20.510 9.921 -7.911 1.00 0.00 C ATOM 1314 CD1 LEU B 82 21.480 8.970 -8.597 1.00 0.00 C ATOM 1315 CD2 LEU B 82 20.867 11.367 -8.195 1.00 0.00 C ATOM 0 H LEU B 82 16.713 8.887 -8.709 1.00 0.00 H new ATOM 0 HA LEU B 82 19.046 7.522 -7.968 1.00 0.00 H new ATOM 0 HB2 LEU B 82 19.030 9.499 -9.407 1.00 0.00 H new ATOM 0 HB3 LEU B 82 18.449 10.492 -8.085 1.00 0.00 H new ATOM 0 HG LEU B 82 20.593 9.759 -6.836 1.00 0.00 H new ATOM 0 HD11 LEU B 82 22.498 9.201 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU B 82 21.240 7.943 -8.320 1.00 0.00 H new ATOM 0 HD13 LEU B 82 21.397 9.083 -9.678 1.00 0.00 H new ATOM 0 HD21 LEU B 82 21.898 11.553 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU B 82 20.760 11.565 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU B 82 20.200 12.023 -7.635 1.00 0.00 H new ATOM 1327 N GLU B 83 17.540 9.291 -5.624 1.00 0.00 N ATOM 1328 CA GLU B 83 17.402 9.454 -4.189 1.00 0.00 C ATOM 1329 C GLU B 83 17.299 8.100 -3.512 1.00 0.00 C ATOM 1330 O GLU B 83 17.957 7.862 -2.506 1.00 0.00 O ATOM 1331 CB GLU B 83 16.181 10.309 -3.846 1.00 0.00 C ATOM 1332 CG GLU B 83 16.378 11.789 -4.117 1.00 0.00 C ATOM 1333 CD GLU B 83 17.429 12.414 -3.218 1.00 0.00 C ATOM 1334 OE1 GLU B 83 17.053 13.039 -2.207 1.00 0.00 O ATOM 1335 OE2 GLU B 83 18.634 12.283 -3.521 1.00 0.00 O ATOM 0 H GLU B 83 16.831 9.777 -6.173 1.00 0.00 H new ATOM 0 HA GLU B 83 18.291 9.968 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU B 83 15.326 9.954 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU B 83 15.936 10.171 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU B 83 16.667 11.928 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU B 83 15.430 12.309 -3.977 1.00 0.00 H new ATOM 1342 N LEU B 84 16.483 7.213 -4.081 1.00 0.00 N ATOM 1343 CA LEU B 84 16.362 5.848 -3.579 1.00 0.00 C ATOM 1344 C LEU B 84 17.699 5.125 -3.648 1.00 0.00 C ATOM 1345 O LEU B 84 18.127 4.516 -2.672 1.00 0.00 O ATOM 1346 CB LEU B 84 15.325 5.062 -4.385 1.00 0.00 C ATOM 1347 CG LEU B 84 15.289 3.556 -4.095 1.00 0.00 C ATOM 1348 CD1 LEU B 84 14.736 3.277 -2.704 1.00 0.00 C ATOM 1349 CD2 LEU B 84 14.481 2.817 -5.152 1.00 0.00 C ATOM 0 H LEU B 84 15.896 7.417 -4.890 1.00 0.00 H new ATOM 0 HA LEU B 84 16.040 5.909 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU B 84 14.338 5.480 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU B 84 15.524 5.208 -5.447 1.00 0.00 H new ATOM 0 HG LEU B 84 16.314 3.188 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU B 84 14.722 2.202 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU B 84 15.367 3.760 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU B 84 13.722 3.670 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU B 84 14.471 1.751 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU B 84 13.459 3.196 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU B 84 14.933 2.974 -6.131 1.00 0.00 H new ATOM 1361 N GLN B 85 18.346 5.205 -4.806 1.00 0.00 N ATOM 1362 CA GLN B 85 19.605 4.510 -5.042 1.00 0.00 C ATOM 1363 C GLN B 85 20.629 4.868 -3.972 1.00 0.00 C ATOM 1364 O GLN B 85 21.141 3.986 -3.286 1.00 0.00 O ATOM 1365 CB GLN B 85 20.133 4.841 -6.447 1.00 0.00 C ATOM 1366 CG GLN B 85 21.324 4.000 -6.891 1.00 0.00 C ATOM 1367 CD GLN B 85 22.663 4.648 -6.590 1.00 0.00 C ATOM 1368 OE1 GLN B 85 23.258 4.434 -5.533 1.00 0.00 O ATOM 1369 NE2 GLN B 85 23.147 5.452 -7.523 1.00 0.00 N ATOM 0 H GLN B 85 18.015 5.750 -5.602 1.00 0.00 H new ATOM 0 HA GLN B 85 19.429 3.436 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN B 85 19.324 4.709 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN B 85 20.417 5.893 -6.476 1.00 0.00 H new ATOM 0 HG2 GLN B 85 21.279 3.029 -6.397 1.00 0.00 H new ATOM 0 HG3 GLN B 85 21.250 3.816 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN B 85 22.625 5.604 -8.386 1.00 0.00 H new ATOM 0 HE22 GLN B 85 24.042 5.919 -7.379 1.00 0.00 H new ATOM 1378 N ARG B 86 20.907 6.161 -3.812 1.00 0.00 N ATOM 1379 CA ARG B 86 21.853 6.602 -2.791 1.00 0.00 C ATOM 1380 C ARG B 86 21.391 6.196 -1.400 1.00 0.00 C ATOM 1381 O ARG B 86 22.139 5.585 -0.642 1.00 0.00 O ATOM 1382 CB ARG B 86 22.036 8.117 -2.830 1.00 0.00 C ATOM 1383 CG ARG B 86 22.657 8.633 -4.114 1.00 0.00 C ATOM 1384 CD ARG B 86 23.347 9.964 -3.884 1.00 0.00 C ATOM 1385 NE ARG B 86 24.392 9.847 -2.868 1.00 0.00 N ATOM 1386 CZ ARG B 86 25.605 10.381 -2.973 1.00 0.00 C ATOM 1387 NH1 ARG B 86 25.920 11.140 -4.014 1.00 0.00 N ATOM 1388 NH2 ARG B 86 26.499 10.166 -2.019 1.00 0.00 N ATOM 0 H ARG B 86 20.497 6.911 -4.368 1.00 0.00 H new ATOM 0 HA ARG B 86 22.805 6.117 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG B 86 21.065 8.593 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG B 86 22.662 8.418 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG B 86 23.376 7.907 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG B 86 21.886 8.745 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG B 86 23.782 10.318 -4.819 1.00 0.00 H new ATOM 0 HD3 ARG B 86 22.614 10.708 -3.572 1.00 0.00 H new ATOM 0 HE ARG B 86 24.176 9.320 -2.022 1.00 0.00 H new ATOM 0 HH11 ARG B 86 25.229 11.318 -4.743 1.00 0.00 H new ATOM 0 HH12 ARG B 86 26.853 11.545 -4.086 1.00 0.00 H new ATOM 0 HH21 ARG B 86 26.255 9.594 -1.211 1.00 0.00 H new ATOM 0 HH22 ARG B 86 27.432 10.573 -2.093 1.00 0.00 H new ATOM 1402 N LEU B 87 20.148 6.534 -1.093 1.00 0.00 N ATOM 1403 CA LEU B 87 19.554 6.283 0.216 1.00 0.00 C ATOM 1404 C LEU B 87 19.698 4.814 0.614 1.00 0.00 C ATOM 1405 O LEU B 87 20.126 4.492 1.722 1.00 0.00 O ATOM 1406 CB LEU B 87 18.078 6.664 0.149 1.00 0.00 C ATOM 1407 CG LEU B 87 17.354 6.852 1.475 1.00 0.00 C ATOM 1408 CD1 LEU B 87 17.700 8.194 2.100 1.00 0.00 C ATOM 1409 CD2 LEU B 87 15.866 6.756 1.243 1.00 0.00 C ATOM 0 H LEU B 87 19.516 6.994 -1.749 1.00 0.00 H new ATOM 0 HA LEU B 87 20.069 6.879 0.969 1.00 0.00 H new ATOM 0 HB2 LEU B 87 17.992 7.591 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU B 87 17.554 5.894 -0.417 1.00 0.00 H new ATOM 0 HG LEU B 87 17.672 6.070 2.165 1.00 0.00 H new ATOM 0 HD11 LEU B 87 17.169 8.302 3.046 1.00 0.00 H new ATOM 0 HD12 LEU B 87 18.774 8.246 2.278 1.00 0.00 H new ATOM 0 HD13 LEU B 87 17.405 8.997 1.424 1.00 0.00 H new ATOM 0 HD21 LEU B 87 15.341 6.890 2.189 1.00 0.00 H new ATOM 0 HD22 LEU B 87 15.556 7.532 0.543 1.00 0.00 H new ATOM 0 HD23 LEU B 87 15.625 5.777 0.829 1.00 0.00 H new ATOM 1421 N PHE B 88 19.353 3.934 -0.314 1.00 0.00 N ATOM 1422 CA PHE B 88 19.418 2.497 -0.087 1.00 0.00 C ATOM 1423 C PHE B 88 20.851 2.043 0.179 1.00 0.00 C ATOM 1424 O PHE B 88 21.144 1.513 1.248 1.00 0.00 O ATOM 1425 CB PHE B 88 18.830 1.768 -1.300 1.00 0.00 C ATOM 1426 CG PHE B 88 19.089 0.287 -1.333 1.00 0.00 C ATOM 1427 CD1 PHE B 88 19.926 -0.251 -2.295 1.00 0.00 C ATOM 1428 CD2 PHE B 88 18.493 -0.566 -0.418 1.00 0.00 C ATOM 1429 CE1 PHE B 88 20.165 -1.606 -2.342 1.00 0.00 C ATOM 1430 CE2 PHE B 88 18.732 -1.924 -0.463 1.00 0.00 C ATOM 1431 CZ PHE B 88 19.569 -2.444 -1.427 1.00 0.00 C ATOM 0 H PHE B 88 19.021 4.194 -1.243 1.00 0.00 H new ATOM 0 HA PHE B 88 18.833 2.252 0.799 1.00 0.00 H new ATOM 0 HB2 PHE B 88 17.753 1.935 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE B 88 19.238 2.214 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE B 88 20.397 0.400 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE B 88 17.835 -0.164 0.338 1.00 0.00 H new ATOM 0 HE1 PHE B 88 20.821 -2.012 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE B 88 18.264 -2.579 0.257 1.00 0.00 H new ATOM 0 HZ PHE B 88 19.757 -3.507 -1.464 1.00 0.00 H new ATOM 1441 N GLU B 89 21.733 2.280 -0.787 1.00 0.00 N ATOM 1442 CA GLU B 89 23.129 1.843 -0.709 1.00 0.00 C ATOM 1443 C GLU B 89 23.802 2.349 0.553 1.00 0.00 C ATOM 1444 O GLU B 89 24.541 1.625 1.223 1.00 0.00 O ATOM 1445 CB GLU B 89 23.884 2.360 -1.925 1.00 0.00 C ATOM 1446 CG GLU B 89 23.343 1.805 -3.219 1.00 0.00 C ATOM 1447 CD GLU B 89 23.910 0.439 -3.547 1.00 0.00 C ATOM 1448 OE1 GLU B 89 23.432 -0.570 -2.991 1.00 0.00 O ATOM 1449 OE2 GLU B 89 24.854 0.370 -4.364 1.00 0.00 O ATOM 0 H GLU B 89 21.504 2.780 -1.646 1.00 0.00 H new ATOM 0 HA GLU B 89 23.144 0.753 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU B 89 23.827 3.448 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU B 89 24.938 2.097 -1.833 1.00 0.00 H new ATOM 0 HG2 GLU B 89 22.257 1.738 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU B 89 23.573 2.495 -4.031 1.00 0.00 H new ATOM 1456 N GLU B 90 23.519 3.589 0.875 1.00 0.00 N ATOM 1457 CA GLU B 90 24.139 4.259 1.990 1.00 0.00 C ATOM 1458 C GLU B 90 23.652 3.720 3.338 1.00 0.00 C ATOM 1459 O GLU B 90 24.332 3.884 4.350 1.00 0.00 O ATOM 1460 CB GLU B 90 23.884 5.755 1.857 1.00 0.00 C ATOM 1461 CG GLU B 90 24.856 6.447 0.904 1.00 0.00 C ATOM 1462 CD GLU B 90 24.540 7.917 0.683 1.00 0.00 C ATOM 1463 OE1 GLU B 90 23.686 8.467 1.407 1.00 0.00 O ATOM 1464 OE2 GLU B 90 25.162 8.535 -0.212 1.00 0.00 O ATOM 0 H GLU B 90 22.847 4.164 0.366 1.00 0.00 H new ATOM 0 HA GLU B 90 25.211 4.066 1.967 1.00 0.00 H new ATOM 0 HB2 GLU B 90 22.865 5.914 1.505 1.00 0.00 H new ATOM 0 HB3 GLU B 90 23.957 6.219 2.841 1.00 0.00 H new ATOM 0 HG2 GLU B 90 25.868 6.356 1.299 1.00 0.00 H new ATOM 0 HG3 GLU B 90 24.841 5.931 -0.056 1.00 0.00 H new ATOM 1471 N PHE B 91 22.496 3.061 3.361 1.00 0.00 N ATOM 1472 CA PHE B 91 21.969 2.524 4.617 1.00 0.00 C ATOM 1473 C PHE B 91 21.812 0.999 4.600 1.00 0.00 C ATOM 1474 O PHE B 91 21.175 0.436 5.491 1.00 0.00 O ATOM 1475 CB PHE B 91 20.626 3.174 4.958 1.00 0.00 C ATOM 1476 CG PHE B 91 20.737 4.626 5.328 1.00 0.00 C ATOM 1477 CD1 PHE B 91 20.139 5.606 4.552 1.00 0.00 C ATOM 1478 CD2 PHE B 91 21.448 5.009 6.453 1.00 0.00 C ATOM 1479 CE1 PHE B 91 20.246 6.941 4.893 1.00 0.00 C ATOM 1480 CE2 PHE B 91 21.558 6.343 6.799 1.00 0.00 C ATOM 1481 CZ PHE B 91 20.957 7.309 6.019 1.00 0.00 C ATOM 0 H PHE B 91 21.914 2.887 2.542 1.00 0.00 H new ATOM 0 HA PHE B 91 22.705 2.765 5.384 1.00 0.00 H new ATOM 0 HB2 PHE B 91 19.957 3.076 4.103 1.00 0.00 H new ATOM 0 HB3 PHE B 91 20.169 2.631 5.785 1.00 0.00 H new ATOM 0 HD1 PHE B 91 19.583 5.323 3.670 1.00 0.00 H new ATOM 0 HD2 PHE B 91 21.922 4.257 7.067 1.00 0.00 H new ATOM 0 HE1 PHE B 91 19.775 7.695 4.280 1.00 0.00 H new ATOM 0 HE2 PHE B 91 22.114 6.629 7.680 1.00 0.00 H new ATOM 0 HZ PHE B 91 21.042 8.351 6.288 1.00 0.00 H new ATOM 1491 N ARG B 92 22.409 0.325 3.612 1.00 0.00 N ATOM 1492 CA ARG B 92 22.297 -1.142 3.501 1.00 0.00 C ATOM 1493 C ARG B 92 22.887 -1.825 4.708 1.00 0.00 C ATOM 1494 O ARG B 92 22.503 -2.935 5.052 1.00 0.00 O ATOM 1495 CB ARG B 92 23.028 -1.669 2.277 1.00 0.00 C ATOM 1496 CG ARG B 92 22.500 -1.124 0.987 1.00 0.00 C ATOM 1497 CD ARG B 92 23.246 -1.686 -0.202 1.00 0.00 C ATOM 1498 NE ARG B 92 23.100 -3.137 -0.325 1.00 0.00 N ATOM 1499 CZ ARG B 92 22.892 -3.779 -1.479 1.00 0.00 C ATOM 1500 NH1 ARG B 92 22.820 -3.107 -2.624 1.00 0.00 N ATOM 1501 NH2 ARG B 92 22.773 -5.101 -1.485 1.00 0.00 N ATOM 0 H ARG B 92 22.971 0.762 2.881 1.00 0.00 H new ATOM 0 HA ARG B 92 21.232 -1.360 3.421 1.00 0.00 H new ATOM 0 HB2 ARG B 92 24.086 -1.422 2.361 1.00 0.00 H new ATOM 0 HB3 ARG B 92 22.955 -2.756 2.260 1.00 0.00 H new ATOM 0 HG2 ARG B 92 21.440 -1.362 0.898 1.00 0.00 H new ATOM 0 HG3 ARG B 92 22.584 -0.037 0.989 1.00 0.00 H new ATOM 0 HD2 ARG B 92 22.882 -1.210 -1.112 1.00 0.00 H new ATOM 0 HD3 ARG B 92 24.304 -1.437 -0.113 1.00 0.00 H new ATOM 0 HE ARG B 92 23.161 -3.696 0.526 1.00 0.00 H new ATOM 0 HH11 ARG B 92 22.924 -2.092 -2.627 1.00 0.00 H new ATOM 0 HH12 ARG B 92 22.661 -3.606 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG B 92 22.840 -5.623 -0.611 1.00 0.00 H new ATOM 0 HH22 ARG B 92 22.614 -5.595 -2.363 1.00 0.00 H new ATOM 1515 N ASP B 93 23.842 -1.155 5.319 1.00 0.00 N ATOM 1516 CA ASP B 93 24.550 -1.686 6.482 1.00 0.00 C ATOM 1517 C ASP B 93 23.633 -1.841 7.708 1.00 0.00 C ATOM 1518 O ASP B 93 24.086 -2.190 8.798 1.00 0.00 O ATOM 1519 CB ASP B 93 25.741 -0.789 6.807 1.00 0.00 C ATOM 1520 CG ASP B 93 26.699 -1.438 7.786 1.00 0.00 C ATOM 1521 OD1 ASP B 93 27.220 -2.531 7.480 1.00 0.00 O ATOM 1522 OD2 ASP B 93 26.951 -0.855 8.862 1.00 0.00 O ATOM 0 H ASP B 93 24.154 -0.228 5.030 1.00 0.00 H new ATOM 0 HA ASP B 93 24.903 -2.686 6.230 1.00 0.00 H new ATOM 0 HB2 ASP B 93 26.273 -0.548 5.887 1.00 0.00 H new ATOM 0 HB3 ASP B 93 25.381 0.152 7.223 1.00 0.00 H new ATOM 1527 N SER B 94 22.345 -1.597 7.524 1.00 0.00 N ATOM 1528 CA SER B 94 21.359 -1.858 8.557 1.00 0.00 C ATOM 1529 C SER B 94 20.572 -3.122 8.206 1.00 0.00 C ATOM 1530 O SER B 94 20.284 -3.366 7.033 1.00 0.00 O ATOM 1531 CB SER B 94 20.413 -0.665 8.686 1.00 0.00 C ATOM 1532 OG SER B 94 21.136 0.535 8.899 1.00 0.00 O ATOM 0 H SER B 94 21.957 -1.216 6.661 1.00 0.00 H new ATOM 0 HA SER B 94 21.865 -2.008 9.511 1.00 0.00 H new ATOM 0 HB2 SER B 94 19.810 -0.575 7.782 1.00 0.00 H new ATOM 0 HB3 SER B 94 19.724 -0.831 9.514 1.00 0.00 H new ATOM 0 HG SER B 94 20.574 1.302 8.663 1.00 0.00 H new ATOM 1538 N ASP B 95 20.226 -3.926 9.213 1.00 0.00 N ATOM 1539 CA ASP B 95 19.514 -5.188 8.976 1.00 0.00 C ATOM 1540 C ASP B 95 18.108 -4.929 8.436 1.00 0.00 C ATOM 1541 O ASP B 95 17.443 -5.841 7.944 1.00 0.00 O ATOM 1542 CB ASP B 95 19.456 -6.047 10.247 1.00 0.00 C ATOM 1543 CG ASP B 95 18.573 -5.471 11.332 1.00 0.00 C ATOM 1544 OD1 ASP B 95 18.919 -4.403 11.881 1.00 0.00 O ATOM 1545 OD2 ASP B 95 17.547 -6.102 11.665 1.00 0.00 O ATOM 0 H ASP B 95 20.424 -3.730 10.194 1.00 0.00 H new ATOM 0 HA ASP B 95 20.074 -5.744 8.223 1.00 0.00 H new ATOM 0 HB2 ASP B 95 19.094 -7.041 9.986 1.00 0.00 H new ATOM 0 HB3 ASP B 95 20.466 -6.168 10.639 1.00 0.00 H new ATOM 1550 N ASP B 96 17.669 -3.683 8.544 1.00 0.00 N ATOM 1551 CA ASP B 96 16.455 -3.225 7.886 1.00 0.00 C ATOM 1552 C ASP B 96 16.709 -1.851 7.276 1.00 0.00 C ATOM 1553 O ASP B 96 16.503 -0.818 7.922 1.00 0.00 O ATOM 1554 CB ASP B 96 15.275 -3.173 8.865 1.00 0.00 C ATOM 1555 CG ASP B 96 13.990 -2.690 8.213 1.00 0.00 C ATOM 1556 OD1 ASP B 96 13.937 -2.604 6.968 1.00 0.00 O ATOM 1557 OD2 ASP B 96 13.016 -2.407 8.947 1.00 0.00 O ATOM 0 H ASP B 96 18.143 -2.963 9.089 1.00 0.00 H new ATOM 0 HA ASP B 96 16.191 -3.932 7.099 1.00 0.00 H new ATOM 0 HB2 ASP B 96 15.113 -4.166 9.285 1.00 0.00 H new ATOM 0 HB3 ASP B 96 15.526 -2.513 9.695 1.00 0.00 H new ATOM 1562 N VAL B 97 17.207 -1.842 6.047 1.00 0.00 N ATOM 1563 CA VAL B 97 17.542 -0.597 5.373 1.00 0.00 C ATOM 1564 C VAL B 97 16.282 0.171 4.992 1.00 0.00 C ATOM 1565 O VAL B 97 16.270 1.401 5.009 1.00 0.00 O ATOM 1566 CB VAL B 97 18.426 -0.830 4.120 1.00 0.00 C ATOM 1567 CG1 VAL B 97 17.772 -1.782 3.136 1.00 0.00 C ATOM 1568 CG2 VAL B 97 18.743 0.485 3.430 1.00 0.00 C ATOM 0 H VAL B 97 17.387 -2.682 5.498 1.00 0.00 H new ATOM 0 HA VAL B 97 18.120 -0.001 6.079 1.00 0.00 H new ATOM 0 HB VAL B 97 19.354 -1.285 4.466 1.00 0.00 H new ATOM 0 HG11 VAL B 97 18.424 -1.918 2.273 1.00 0.00 H new ATOM 0 HG12 VAL B 97 17.603 -2.745 3.618 1.00 0.00 H new ATOM 0 HG13 VAL B 97 16.818 -1.368 2.809 1.00 0.00 H new ATOM 0 HG21 VAL B 97 19.364 0.296 2.554 1.00 0.00 H new ATOM 0 HG22 VAL B 97 17.815 0.966 3.120 1.00 0.00 H new ATOM 0 HG23 VAL B 97 19.278 1.138 4.120 1.00 0.00 H new ATOM 1578 N LEU B 98 15.207 -0.553 4.707 1.00 0.00 N ATOM 1579 CA LEU B 98 13.974 0.076 4.256 1.00 0.00 C ATOM 1580 C LEU B 98 13.375 0.960 5.333 1.00 0.00 C ATOM 1581 O LEU B 98 12.754 1.980 5.024 1.00 0.00 O ATOM 1582 CB LEU B 98 12.949 -0.952 3.798 1.00 0.00 C ATOM 1583 CG LEU B 98 13.256 -1.604 2.456 1.00 0.00 C ATOM 1584 CD1 LEU B 98 14.113 -2.843 2.640 1.00 0.00 C ATOM 1585 CD2 LEU B 98 11.971 -1.933 1.722 1.00 0.00 C ATOM 0 H LEU B 98 15.164 -1.570 4.780 1.00 0.00 H new ATOM 0 HA LEU B 98 14.237 0.699 3.401 1.00 0.00 H new ATOM 0 HB2 LEU B 98 12.873 -1.731 4.556 1.00 0.00 H new ATOM 0 HB3 LEU B 98 11.973 -0.470 3.737 1.00 0.00 H new ATOM 0 HG LEU B 98 13.822 -0.896 1.850 1.00 0.00 H new ATOM 0 HD11 LEU B 98 14.319 -3.291 1.668 1.00 0.00 H new ATOM 0 HD12 LEU B 98 15.053 -2.568 3.119 1.00 0.00 H new ATOM 0 HD13 LEU B 98 13.584 -3.562 3.266 1.00 0.00 H new ATOM 0 HD21 LEU B 98 12.207 -2.398 0.765 1.00 0.00 H new ATOM 0 HD22 LEU B 98 11.375 -2.620 2.322 1.00 0.00 H new ATOM 0 HD23 LEU B 98 11.405 -1.017 1.550 1.00 0.00 H new ATOM 1597 N GLY B 99 13.560 0.571 6.589 1.00 0.00 N ATOM 1598 CA GLY B 99 13.132 1.411 7.690 1.00 0.00 C ATOM 1599 C GLY B 99 13.793 2.770 7.626 1.00 0.00 C ATOM 1600 O GLY B 99 13.134 3.802 7.740 1.00 0.00 O ATOM 0 H GLY B 99 13.997 -0.309 6.864 1.00 0.00 H new ATOM 0 HA2 GLY B 99 12.049 1.528 7.662 1.00 0.00 H new ATOM 0 HA3 GLY B 99 13.376 0.928 8.636 1.00 0.00 H new ATOM 1604 N HIS B 100 15.097 2.765 7.384 1.00 0.00 N ATOM 1605 CA HIS B 100 15.854 4.003 7.272 1.00 0.00 C ATOM 1606 C HIS B 100 15.455 4.731 5.997 1.00 0.00 C ATOM 1607 O HIS B 100 15.394 5.957 5.962 1.00 0.00 O ATOM 1608 CB HIS B 100 17.362 3.726 7.268 1.00 0.00 C ATOM 1609 CG HIS B 100 17.883 3.123 8.539 1.00 0.00 C ATOM 1610 ND1 HIS B 100 18.876 3.700 9.301 1.00 0.00 N ATOM 1611 CD2 HIS B 100 17.556 1.970 9.171 1.00 0.00 C ATOM 1612 CE1 HIS B 100 19.139 2.928 10.338 1.00 0.00 C ATOM 1613 NE2 HIS B 100 18.351 1.876 10.282 1.00 0.00 N ATOM 0 H HIS B 100 15.652 1.918 7.262 1.00 0.00 H new ATOM 0 HA HIS B 100 15.627 4.628 8.136 1.00 0.00 H new ATOM 0 HB2 HIS B 100 17.594 3.056 6.440 1.00 0.00 H new ATOM 0 HB3 HIS B 100 17.891 4.660 7.080 1.00 0.00 H new ATOM 0 HD2 HIS B 100 16.808 1.258 8.857 1.00 0.00 H new ATOM 0 HE1 HIS B 100 19.876 3.126 11.103 1.00 0.00 H new ATOM 0 HE2 HIS B 100 18.335 1.112 10.958 1.00 0.00 H new ATOM 1622 N ILE B 101 15.158 3.955 4.959 1.00 0.00 N ATOM 1623 CA ILE B 101 14.772 4.501 3.666 1.00 0.00 C ATOM 1624 C ILE B 101 13.521 5.367 3.762 1.00 0.00 C ATOM 1625 O ILE B 101 13.593 6.576 3.565 1.00 0.00 O ATOM 1626 CB ILE B 101 14.543 3.373 2.632 1.00 0.00 C ATOM 1627 CG1 ILE B 101 15.884 2.788 2.188 1.00 0.00 C ATOM 1628 CG2 ILE B 101 13.751 3.868 1.427 1.00 0.00 C ATOM 1629 CD1 ILE B 101 15.754 1.697 1.149 1.00 0.00 C ATOM 0 H ILE B 101 15.178 2.936 4.992 1.00 0.00 H new ATOM 0 HA ILE B 101 15.598 5.130 3.334 1.00 0.00 H new ATOM 0 HB ILE B 101 13.954 2.592 3.112 1.00 0.00 H new ATOM 0 HG12 ILE B 101 16.505 3.589 1.786 1.00 0.00 H new ATOM 0 HG13 ILE B 101 16.403 2.389 3.059 1.00 0.00 H new ATOM 0 HG21 ILE B 101 13.610 3.048 0.723 1.00 0.00 H new ATOM 0 HG22 ILE B 101 12.779 4.235 1.756 1.00 0.00 H new ATOM 0 HG23 ILE B 101 14.297 4.675 0.939 1.00 0.00 H new ATOM 0 HD11 ILE B 101 16.745 1.329 0.882 1.00 0.00 H new ATOM 0 HD12 ILE B 101 15.160 0.878 1.554 1.00 0.00 H new ATOM 0 HD13 ILE B 101 15.264 2.097 0.261 1.00 0.00 H new ATOM 1641 N MET B 102 12.389 4.764 4.108 1.00 0.00 N ATOM 1642 CA MET B 102 11.112 5.473 4.062 1.00 0.00 C ATOM 1643 C MET B 102 11.049 6.597 5.091 1.00 0.00 C ATOM 1644 O MET B 102 10.240 7.511 4.960 1.00 0.00 O ATOM 1645 CB MET B 102 9.927 4.515 4.241 1.00 0.00 C ATOM 1646 CG MET B 102 10.144 3.456 5.307 1.00 0.00 C ATOM 1647 SD MET B 102 8.631 2.612 5.787 1.00 0.00 S ATOM 1648 CE MET B 102 8.153 1.893 4.226 1.00 0.00 C ATOM 0 H MET B 102 12.327 3.795 4.421 1.00 0.00 H new ATOM 0 HA MET B 102 11.040 5.922 3.071 1.00 0.00 H new ATOM 0 HB2 MET B 102 9.040 5.095 4.495 1.00 0.00 H new ATOM 0 HB3 MET B 102 9.725 4.022 3.290 1.00 0.00 H new ATOM 0 HG2 MET B 102 10.861 2.722 4.940 1.00 0.00 H new ATOM 0 HG3 MET B 102 10.587 3.922 6.187 1.00 0.00 H new ATOM 0 HE1 MET B 102 7.183 1.407 4.331 1.00 0.00 H new ATOM 0 HE2 MET B 102 8.087 2.675 3.470 1.00 0.00 H new ATOM 0 HE3 MET B 102 8.896 1.156 3.922 1.00 0.00 H new ATOM 1658 N LYS B 103 11.902 6.542 6.101 1.00 0.00 N ATOM 1659 CA LYS B 103 11.942 7.600 7.102 1.00 0.00 C ATOM 1660 C LYS B 103 12.854 8.752 6.673 1.00 0.00 C ATOM 1661 O LYS B 103 12.556 9.916 6.931 1.00 0.00 O ATOM 1662 CB LYS B 103 12.393 7.054 8.459 1.00 0.00 C ATOM 1663 CG LYS B 103 11.273 6.440 9.293 1.00 0.00 C ATOM 1664 CD LYS B 103 10.609 5.264 8.592 1.00 0.00 C ATOM 1665 CE LYS B 103 9.538 4.622 9.458 1.00 0.00 C ATOM 1666 NZ LYS B 103 8.437 5.567 9.777 1.00 0.00 N ATOM 0 H LYS B 103 12.570 5.786 6.250 1.00 0.00 H new ATOM 0 HA LYS B 103 10.928 7.988 7.197 1.00 0.00 H new ATOM 0 HB2 LYS B 103 13.164 6.301 8.296 1.00 0.00 H new ATOM 0 HB3 LYS B 103 12.852 7.862 9.028 1.00 0.00 H new ATOM 0 HG2 LYS B 103 11.676 6.109 10.250 1.00 0.00 H new ATOM 0 HG3 LYS B 103 10.524 7.202 9.508 1.00 0.00 H new ATOM 0 HD2 LYS B 103 10.165 5.603 7.656 1.00 0.00 H new ATOM 0 HD3 LYS B 103 11.364 4.520 8.336 1.00 0.00 H new ATOM 0 HE2 LYS B 103 9.130 3.751 8.944 1.00 0.00 H new ATOM 0 HE3 LYS B 103 9.988 4.264 10.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 7.659 5.052 10.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 8.789 6.306 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 8.091 6.005 8.900 1.00 0.00 H new ATOM 1680 N ASN B 104 13.959 8.431 6.012 1.00 0.00 N ATOM 1681 CA ASN B 104 14.952 9.446 5.653 1.00 0.00 C ATOM 1682 C ASN B 104 14.732 9.996 4.248 1.00 0.00 C ATOM 1683 O ASN B 104 15.428 10.920 3.825 1.00 0.00 O ATOM 1684 CB ASN B 104 16.376 8.888 5.765 1.00 0.00 C ATOM 1685 CG ASN B 104 16.866 8.770 7.200 1.00 0.00 C ATOM 1686 OD1 ASN B 104 15.956 8.517 8.131 1.00 0.00 O flip ATOM 1687 ND2 ASN B 104 18.063 8.898 7.469 1.00 0.00 N flip ATOM 0 H ASN B 104 14.193 7.484 5.714 1.00 0.00 H new ATOM 0 HA ASN B 104 14.827 10.264 6.362 1.00 0.00 H new ATOM 0 HB2 ASN B 104 16.412 7.905 5.295 1.00 0.00 H new ATOM 0 HB3 ASN B 104 17.056 9.533 5.208 1.00 0.00 H new ATOM 0 HD21 ASN B 104 18.735 9.092 6.726 1.00 0.00 H new ATOM 0 HD22 ASN B 104 18.381 8.809 8.434 1.00 0.00 H new ATOM 1694 N ILE B 105 13.776 9.436 3.521 1.00 0.00 N ATOM 1695 CA ILE B 105 13.500 9.902 2.169 1.00 0.00 C ATOM 1696 C ILE B 105 12.427 10.982 2.174 1.00 0.00 C ATOM 1697 O ILE B 105 11.528 10.992 3.023 1.00 0.00 O ATOM 1698 CB ILE B 105 13.082 8.747 1.227 1.00 0.00 C ATOM 1699 CG1 ILE B 105 12.919 9.236 -0.214 1.00 0.00 C ATOM 1700 CG2 ILE B 105 11.813 8.066 1.704 1.00 0.00 C ATOM 1701 CD1 ILE B 105 14.234 9.506 -0.910 1.00 0.00 C ATOM 0 H ILE B 105 13.185 8.668 3.839 1.00 0.00 H new ATOM 0 HA ILE B 105 14.429 10.324 1.787 1.00 0.00 H new ATOM 0 HB ILE B 105 13.885 8.011 1.249 1.00 0.00 H new ATOM 0 HG12 ILE B 105 12.362 8.490 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE B 105 12.322 10.148 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE B 105 11.552 7.261 1.017 1.00 0.00 H new ATOM 0 HG22 ILE B 105 11.973 7.655 2.701 1.00 0.00 H new ATOM 0 HG23 ILE B 105 11.001 8.792 1.737 1.00 0.00 H new ATOM 0 HD11 ILE B 105 14.044 9.849 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE B 105 14.783 10.273 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE B 105 14.824 8.590 -0.941 1.00 0.00 H new ATOM 1713 N THR B 106 12.542 11.889 1.217 1.00 0.00 N ATOM 1714 CA THR B 106 11.642 13.016 1.085 1.00 0.00 C ATOM 1715 C THR B 106 10.207 12.568 0.788 1.00 0.00 C ATOM 1716 O THR B 106 9.252 13.300 1.041 1.00 0.00 O ATOM 1717 CB THR B 106 12.145 13.950 -0.031 1.00 0.00 C ATOM 1718 OG1 THR B 106 11.505 15.226 0.058 1.00 0.00 O ATOM 1719 CG2 THR B 106 11.895 13.356 -1.412 1.00 0.00 C ATOM 0 H THR B 106 13.271 11.860 0.504 1.00 0.00 H new ATOM 0 HA THR B 106 11.629 13.549 2.036 1.00 0.00 H new ATOM 0 HB THR B 106 13.220 14.069 0.106 1.00 0.00 H new ATOM 0 HG1 THR B 106 11.836 15.809 -0.657 1.00 0.00 H new ATOM 0 HG21 THR B 106 12.263 14.042 -2.175 1.00 0.00 H new ATOM 0 HG22 THR B 106 12.418 12.403 -1.498 1.00 0.00 H new ATOM 0 HG23 THR B 106 10.826 13.197 -1.552 1.00 0.00 H new ATOM 1727 N ALA B 107 10.061 11.359 0.266 1.00 0.00 N ATOM 1728 CA ALA B 107 8.748 10.843 -0.094 1.00 0.00 C ATOM 1729 C ALA B 107 8.363 9.690 0.813 1.00 0.00 C ATOM 1730 O ALA B 107 9.122 8.740 0.962 1.00 0.00 O ATOM 1731 CB ALA B 107 8.733 10.392 -1.545 1.00 0.00 C ATOM 0 H ALA B 107 10.833 10.718 0.083 1.00 0.00 H new ATOM 0 HA ALA B 107 8.020 11.645 0.031 1.00 0.00 H new ATOM 0 HB1 ALA B 107 7.744 10.009 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA B 107 8.970 11.237 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA B 107 9.474 9.606 -1.689 1.00 0.00 H new ATOM 1737 N LYS B 108 7.182 9.751 1.399 1.00 0.00 N ATOM 1738 CA LYS B 108 6.749 8.693 2.293 1.00 0.00 C ATOM 1739 C LYS B 108 6.287 7.493 1.485 1.00 0.00 C ATOM 1740 O LYS B 108 5.189 7.476 0.930 1.00 0.00 O ATOM 1741 CB LYS B 108 5.641 9.183 3.232 1.00 0.00 C ATOM 1742 CG LYS B 108 6.022 10.385 4.098 1.00 0.00 C ATOM 1743 CD LYS B 108 6.928 10.020 5.280 1.00 0.00 C ATOM 1744 CE LYS B 108 8.414 9.999 4.923 1.00 0.00 C ATOM 1745 NZ LYS B 108 8.871 11.284 4.331 1.00 0.00 N ATOM 0 H LYS B 108 6.513 10.511 1.275 1.00 0.00 H new ATOM 0 HA LYS B 108 7.594 8.393 2.914 1.00 0.00 H new ATOM 0 HB2 LYS B 108 4.767 9.445 2.635 1.00 0.00 H new ATOM 0 HB3 LYS B 108 5.347 8.361 3.885 1.00 0.00 H new ATOM 0 HG2 LYS B 108 6.527 11.125 3.477 1.00 0.00 H new ATOM 0 HG3 LYS B 108 5.114 10.853 4.477 1.00 0.00 H new ATOM 0 HD2 LYS B 108 6.766 10.735 6.087 1.00 0.00 H new ATOM 0 HD3 LYS B 108 6.640 9.040 5.660 1.00 0.00 H new ATOM 0 HE2 LYS B 108 8.997 9.787 5.819 1.00 0.00 H new ATOM 0 HE3 LYS B 108 8.605 9.189 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 9.910 11.320 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 8.531 11.355 3.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 8.492 12.077 4.887 1.00 0.00 H new ATOM 1759 N ARG B 109 7.150 6.493 1.406 1.00 0.00 N ATOM 1760 CA ARG B 109 6.856 5.304 0.636 1.00 0.00 C ATOM 1761 C ARG B 109 6.522 4.155 1.563 1.00 0.00 C ATOM 1762 O ARG B 109 6.848 4.185 2.748 1.00 0.00 O ATOM 1763 CB ARG B 109 8.046 4.892 -0.230 1.00 0.00 C ATOM 1764 CG ARG B 109 8.704 6.020 -1.000 1.00 0.00 C ATOM 1765 CD ARG B 109 9.633 5.453 -2.059 1.00 0.00 C ATOM 1766 NE ARG B 109 10.722 6.368 -2.411 1.00 0.00 N ATOM 1767 CZ ARG B 109 12.008 6.130 -2.143 1.00 0.00 C ATOM 1768 NH1 ARG B 109 12.354 5.093 -1.388 1.00 0.00 N ATOM 1769 NH2 ARG B 109 12.945 6.941 -2.612 1.00 0.00 N ATOM 0 H ARG B 109 8.060 6.485 1.868 1.00 0.00 H new ATOM 0 HA ARG B 109 6.008 5.535 -0.008 1.00 0.00 H new ATOM 0 HB2 ARG B 109 8.795 4.424 0.409 1.00 0.00 H new ATOM 0 HB3 ARG B 109 7.714 4.134 -0.940 1.00 0.00 H new ATOM 0 HG2 ARG B 109 7.943 6.644 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG B 109 9.264 6.659 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG B 109 10.055 4.515 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG B 109 9.056 5.221 -2.954 1.00 0.00 H new ATOM 0 HE ARG B 109 10.484 7.237 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG B 109 11.636 4.475 -1.011 1.00 0.00 H new ATOM 0 HH12 ARG B 109 13.338 4.915 -1.186 1.00 0.00 H new ATOM 0 HH21 ARG B 109 12.684 7.748 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG B 109 13.927 6.758 -2.407 1.00 0.00 H new ATOM 1783 N SER B 110 5.864 3.156 1.016 1.00 0.00 N ATOM 1784 CA SER B 110 5.627 1.915 1.728 1.00 0.00 C ATOM 1785 C SER B 110 6.663 0.876 1.303 1.00 0.00 C ATOM 1786 O SER B 110 7.339 1.050 0.284 1.00 0.00 O ATOM 1787 CB SER B 110 4.207 1.412 1.452 1.00 0.00 C ATOM 1788 OG SER B 110 3.965 0.172 2.092 1.00 0.00 O ATOM 0 H SER B 110 5.480 3.178 0.071 1.00 0.00 H new ATOM 0 HA SER B 110 5.724 2.088 2.800 1.00 0.00 H new ATOM 0 HB2 SER B 110 3.484 2.150 1.800 1.00 0.00 H new ATOM 0 HB3 SER B 110 4.060 1.303 0.377 1.00 0.00 H new ATOM 0 HG SER B 110 3.051 -0.123 1.899 1.00 0.00 H new ATOM 1794 N ARG B 111 6.769 -0.202 2.072 1.00 0.00 N ATOM 1795 CA ARG B 111 7.769 -1.241 1.829 1.00 0.00 C ATOM 1796 C ARG B 111 7.625 -1.835 0.437 1.00 0.00 C ATOM 1797 O ARG B 111 8.615 -2.006 -0.274 1.00 0.00 O ATOM 1798 CB ARG B 111 7.655 -2.346 2.880 1.00 0.00 C ATOM 1799 CG ARG B 111 8.025 -1.891 4.284 1.00 0.00 C ATOM 1800 CD ARG B 111 9.502 -1.563 4.391 1.00 0.00 C ATOM 1801 NE ARG B 111 9.856 -1.044 5.710 1.00 0.00 N ATOM 1802 CZ ARG B 111 10.722 -1.635 6.534 1.00 0.00 C ATOM 1803 NH1 ARG B 111 11.221 -2.825 6.234 1.00 0.00 N ATOM 1804 NH2 ARG B 111 11.050 -1.064 7.682 1.00 0.00 N ATOM 0 H ARG B 111 6.169 -0.382 2.877 1.00 0.00 H new ATOM 0 HA ARG B 111 8.753 -0.777 1.901 1.00 0.00 H new ATOM 0 HB2 ARG B 111 6.633 -2.725 2.887 1.00 0.00 H new ATOM 0 HB3 ARG B 111 8.301 -3.176 2.594 1.00 0.00 H new ATOM 0 HG2 ARG B 111 7.436 -1.013 4.550 1.00 0.00 H new ATOM 0 HG3 ARG B 111 7.772 -2.673 5.000 1.00 0.00 H new ATOM 0 HD2 ARG B 111 10.088 -2.459 4.185 1.00 0.00 H new ATOM 0 HD3 ARG B 111 9.766 -0.828 3.630 1.00 0.00 H new ATOM 0 HE ARG B 111 9.414 -0.178 6.019 1.00 0.00 H new ATOM 0 HH11 ARG B 111 10.943 -3.292 5.371 1.00 0.00 H new ATOM 0 HH12 ARG B 111 11.883 -3.274 6.866 1.00 0.00 H new ATOM 0 HH21 ARG B 111 10.640 -0.167 7.941 1.00 0.00 H new ATOM 0 HH22 ARG B 111 11.713 -1.521 8.308 1.00 0.00 H new ATOM 1818 N ALA B 112 6.388 -2.116 0.044 1.00 0.00 N ATOM 1819 CA ALA B 112 6.110 -2.728 -1.252 1.00 0.00 C ATOM 1820 C ALA B 112 6.581 -1.846 -2.403 1.00 0.00 C ATOM 1821 O ALA B 112 6.866 -2.332 -3.496 1.00 0.00 O ATOM 1822 CB ALA B 112 4.625 -3.020 -1.386 1.00 0.00 C ATOM 0 H ALA B 112 5.558 -1.929 0.606 1.00 0.00 H new ATOM 0 HA ALA B 112 6.666 -3.664 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA B 112 4.430 -3.476 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA B 112 4.316 -3.703 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA B 112 4.062 -2.090 -1.303 1.00 0.00 H new ATOM 1828 N ARG B 113 6.664 -0.546 -2.157 1.00 0.00 N ATOM 1829 CA ARG B 113 7.081 0.396 -3.187 1.00 0.00 C ATOM 1830 C ARG B 113 8.584 0.424 -3.313 1.00 0.00 C ATOM 1831 O ARG B 113 9.131 0.619 -4.397 1.00 0.00 O ATOM 1832 CB ARG B 113 6.547 1.797 -2.879 1.00 0.00 C ATOM 1833 CG ARG B 113 5.039 1.899 -2.975 1.00 0.00 C ATOM 1834 CD ARG B 113 4.555 1.444 -4.339 1.00 0.00 C ATOM 1835 NE ARG B 113 4.600 -0.020 -4.471 1.00 0.00 N ATOM 1836 CZ ARG B 113 3.985 -0.722 -5.421 1.00 0.00 C ATOM 1837 NH1 ARG B 113 3.205 -0.123 -6.306 1.00 0.00 N ATOM 1838 NH2 ARG B 113 4.151 -2.039 -5.477 1.00 0.00 N ATOM 0 H ARG B 113 6.449 -0.120 -1.256 1.00 0.00 H new ATOM 0 HA ARG B 113 6.664 0.065 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG B 113 6.860 2.085 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG B 113 6.997 2.510 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG B 113 4.578 1.289 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG B 113 4.727 2.928 -2.798 1.00 0.00 H new ATOM 0 HD2 ARG B 113 3.535 1.793 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG B 113 5.172 1.899 -5.114 1.00 0.00 H new ATOM 0 HE ARG B 113 5.145 -0.538 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG B 113 3.069 0.887 -6.265 1.00 0.00 H new ATOM 0 HH12 ARG B 113 2.739 -0.671 -7.029 1.00 0.00 H new ATOM 0 HH21 ARG B 113 4.747 -2.507 -4.795 1.00 0.00 H new ATOM 0 HH22 ARG B 113 3.682 -2.582 -6.202 1.00 0.00 H new ATOM 1852 N ILE B 114 9.244 0.213 -2.202 1.00 0.00 N ATOM 1853 CA ILE B 114 10.677 0.317 -2.155 1.00 0.00 C ATOM 1854 C ILE B 114 11.325 -0.984 -2.618 1.00 0.00 C ATOM 1855 O ILE B 114 12.287 -0.971 -3.386 1.00 0.00 O ATOM 1856 CB ILE B 114 11.137 0.677 -0.734 1.00 0.00 C ATOM 1857 CG1 ILE B 114 10.392 1.930 -0.269 1.00 0.00 C ATOM 1858 CG2 ILE B 114 12.643 0.895 -0.688 1.00 0.00 C ATOM 1859 CD1 ILE B 114 10.652 2.299 1.182 1.00 0.00 C ATOM 0 H ILE B 114 8.807 -0.033 -1.314 1.00 0.00 H new ATOM 0 HA ILE B 114 10.991 1.112 -2.832 1.00 0.00 H new ATOM 0 HB ILE B 114 10.906 -0.150 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE B 114 10.680 2.768 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE B 114 9.322 1.777 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE B 114 12.943 1.149 0.329 1.00 0.00 H new ATOM 0 HG22 ILE B 114 13.152 -0.017 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE B 114 12.913 1.710 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE B 114 10.089 3.197 1.436 1.00 0.00 H new ATOM 0 HD12 ILE B 114 10.338 1.479 1.828 1.00 0.00 H new ATOM 0 HD13 ILE B 114 11.716 2.486 1.325 1.00 0.00 H new ATOM 1871 N VAL B 115 10.772 -2.109 -2.165 1.00 0.00 N ATOM 1872 CA VAL B 115 11.287 -3.418 -2.552 1.00 0.00 C ATOM 1873 C VAL B 115 11.135 -3.628 -4.055 1.00 0.00 C ATOM 1874 O VAL B 115 12.020 -4.181 -4.707 1.00 0.00 O ATOM 1875 CB VAL B 115 10.593 -4.580 -1.791 1.00 0.00 C ATOM 1876 CG1 VAL B 115 10.826 -4.460 -0.297 1.00 0.00 C ATOM 1877 CG2 VAL B 115 9.103 -4.635 -2.083 1.00 0.00 C ATOM 0 H VAL B 115 9.972 -2.139 -1.533 1.00 0.00 H new ATOM 0 HA VAL B 115 12.343 -3.431 -2.282 1.00 0.00 H new ATOM 0 HB VAL B 115 11.039 -5.509 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL B 115 10.331 -5.285 0.216 1.00 0.00 H new ATOM 0 HG12 VAL B 115 11.896 -4.495 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL B 115 10.419 -3.514 0.060 1.00 0.00 H new ATOM 0 HG21 VAL B 115 8.654 -5.461 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL B 115 8.637 -3.699 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL B 115 8.947 -4.784 -3.151 1.00 0.00 H new ATOM 1887 N ASP B 116 10.021 -3.157 -4.603 1.00 0.00 N ATOM 1888 CA ASP B 116 9.746 -3.296 -6.025 1.00 0.00 C ATOM 1889 C ASP B 116 10.794 -2.578 -6.862 1.00 0.00 C ATOM 1890 O ASP B 116 11.344 -3.152 -7.804 1.00 0.00 O ATOM 1891 CB ASP B 116 8.358 -2.745 -6.354 1.00 0.00 C ATOM 1892 CG ASP B 116 8.060 -2.766 -7.841 1.00 0.00 C ATOM 1893 OD1 ASP B 116 7.511 -3.777 -8.330 1.00 0.00 O ATOM 1894 OD2 ASP B 116 8.368 -1.771 -8.529 1.00 0.00 O ATOM 0 H ASP B 116 9.291 -2.673 -4.080 1.00 0.00 H new ATOM 0 HA ASP B 116 9.780 -4.358 -6.268 1.00 0.00 H new ATOM 0 HB2 ASP B 116 7.604 -3.331 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP B 116 8.281 -1.722 -5.986 1.00 0.00 H new ATOM 1899 N LYS B 117 11.090 -1.333 -6.509 1.00 0.00 N ATOM 1900 CA LYS B 117 11.979 -0.530 -7.327 1.00 0.00 C ATOM 1901 C LYS B 117 13.423 -1.024 -7.243 1.00 0.00 C ATOM 1902 O LYS B 117 14.176 -0.897 -8.207 1.00 0.00 O ATOM 1903 CB LYS B 117 11.895 0.949 -6.949 1.00 0.00 C ATOM 1904 CG LYS B 117 11.821 1.857 -8.167 1.00 0.00 C ATOM 1905 CD LYS B 117 10.483 1.699 -8.878 1.00 0.00 C ATOM 1906 CE LYS B 117 10.561 2.088 -10.348 1.00 0.00 C ATOM 1907 NZ LYS B 117 10.952 3.510 -10.540 1.00 0.00 N ATOM 0 H LYS B 117 10.732 -0.867 -5.675 1.00 0.00 H new ATOM 0 HA LYS B 117 11.649 -0.638 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS B 117 11.017 1.112 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS B 117 12.766 1.218 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS B 117 11.955 2.895 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS B 117 12.633 1.619 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS B 117 10.150 0.664 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS B 117 9.734 2.316 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS B 117 11.282 1.445 -10.853 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.593 1.914 -10.819 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 10.472 3.892 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.676 4.062 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 11.982 3.572 -10.672 1.00 0.00 H new ATOM 1921 N LEU B 118 13.806 -1.609 -6.113 1.00 0.00 N ATOM 1922 CA LEU B 118 15.155 -2.147 -5.968 1.00 0.00 C ATOM 1923 C LEU B 118 15.432 -3.198 -7.030 1.00 0.00 C ATOM 1924 O LEU B 118 16.489 -3.196 -7.661 1.00 0.00 O ATOM 1925 CB LEU B 118 15.369 -2.793 -4.606 1.00 0.00 C ATOM 1926 CG LEU B 118 15.346 -1.875 -3.393 1.00 0.00 C ATOM 1927 CD1 LEU B 118 15.998 -2.596 -2.232 1.00 0.00 C ATOM 1928 CD2 LEU B 118 16.052 -0.558 -3.680 1.00 0.00 C ATOM 0 H LEU B 118 13.210 -1.722 -5.293 1.00 0.00 H new ATOM 0 HA LEU B 118 15.835 -1.302 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU B 118 14.602 -3.555 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU B 118 16.330 -3.308 -4.623 1.00 0.00 H new ATOM 0 HG LEU B 118 14.313 -1.632 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU B 118 15.990 -1.952 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU B 118 15.447 -3.511 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU B 118 17.027 -2.845 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU B 118 16.017 0.074 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU B 118 17.091 -0.753 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU B 118 15.554 -0.051 -4.507 1.00 0.00 H new ATOM 1940 N LEU B 119 14.478 -4.101 -7.210 1.00 0.00 N ATOM 1941 CA LEU B 119 14.597 -5.171 -8.195 1.00 0.00 C ATOM 1942 C LEU B 119 14.673 -4.597 -9.600 1.00 0.00 C ATOM 1943 O LEU B 119 15.348 -5.145 -10.473 1.00 0.00 O ATOM 1944 CB LEU B 119 13.404 -6.121 -8.094 1.00 0.00 C ATOM 1945 CG LEU B 119 13.472 -7.178 -6.977 1.00 0.00 C ATOM 1946 CD1 LEU B 119 14.605 -8.154 -7.246 1.00 0.00 C ATOM 1947 CD2 LEU B 119 13.648 -6.544 -5.601 1.00 0.00 C ATOM 0 H LEU B 119 13.605 -4.114 -6.682 1.00 0.00 H new ATOM 0 HA LEU B 119 15.514 -5.723 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU B 119 12.503 -5.526 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU B 119 13.294 -6.637 -9.048 1.00 0.00 H new ATOM 0 HG LEU B 119 12.522 -7.713 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU B 119 14.643 -8.897 -6.449 1.00 0.00 H new ATOM 0 HD12 LEU B 119 14.436 -8.654 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU B 119 15.550 -7.613 -7.283 1.00 0.00 H new ATOM 0 HD21 LEU B 119 13.691 -7.326 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU B 119 14.573 -5.968 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU B 119 12.806 -5.884 -5.394 1.00 0.00 H new ATOM 1959 N ALA B 120 14.001 -3.476 -9.796 1.00 0.00 N ATOM 1960 CA ALA B 120 13.937 -2.839 -11.100 1.00 0.00 C ATOM 1961 C ALA B 120 15.266 -2.181 -11.445 1.00 0.00 C ATOM 1962 O ALA B 120 15.731 -2.244 -12.583 1.00 0.00 O ATOM 1963 CB ALA B 120 12.803 -1.830 -11.122 1.00 0.00 C ATOM 0 H ALA B 120 13.489 -2.985 -9.063 1.00 0.00 H new ATOM 0 HA ALA B 120 13.741 -3.598 -11.857 1.00 0.00 H new ATOM 0 HB1 ALA B 120 12.758 -1.354 -12.102 1.00 0.00 H new ATOM 0 HB2 ALA B 120 11.860 -2.338 -10.922 1.00 0.00 H new ATOM 0 HB3 ALA B 120 12.976 -1.072 -10.358 1.00 0.00 H new ATOM 1969 N LEU B 121 15.879 -1.554 -10.450 1.00 0.00 N ATOM 1970 CA LEU B 121 17.211 -0.985 -10.608 1.00 0.00 C ATOM 1971 C LEU B 121 18.254 -2.092 -10.633 1.00 0.00 C ATOM 1972 O LEU B 121 19.345 -1.926 -11.174 1.00 0.00 O ATOM 1973 CB LEU B 121 17.535 -0.036 -9.453 1.00 0.00 C ATOM 1974 CG LEU B 121 16.958 1.377 -9.543 1.00 0.00 C ATOM 1975 CD1 LEU B 121 15.447 1.356 -9.696 1.00 0.00 C ATOM 1976 CD2 LEU B 121 17.363 2.166 -8.310 1.00 0.00 C ATOM 0 H LEU B 121 15.474 -1.426 -9.523 1.00 0.00 H new ATOM 0 HA LEU B 121 17.230 -0.433 -11.548 1.00 0.00 H new ATOM 0 HB2 LEU B 121 17.179 -0.491 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU B 121 18.619 0.044 -9.372 1.00 0.00 H new ATOM 0 HG LEU B 121 17.363 1.860 -10.432 1.00 0.00 H new ATOM 0 HD11 LEU B 121 15.073 2.378 -9.757 1.00 0.00 H new ATOM 0 HD12 LEU B 121 15.181 0.818 -10.606 1.00 0.00 H new ATOM 0 HD13 LEU B 121 15.001 0.857 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU B 121 16.953 3.174 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU B 121 16.977 1.671 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU B 121 18.450 2.220 -8.253 1.00 0.00 H new ATOM 1988 N GLY B 122 17.903 -3.220 -10.035 1.00 0.00 N ATOM 1989 CA GLY B 122 18.839 -4.310 -9.886 1.00 0.00 C ATOM 1990 C GLY B 122 19.817 -4.049 -8.761 1.00 0.00 C ATOM 1991 O GLY B 122 20.959 -4.502 -8.797 1.00 0.00 O ATOM 0 H GLY B 122 16.977 -3.399 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY B 122 18.295 -5.234 -9.690 1.00 0.00 H new ATOM 0 HA3 GLY B 122 19.385 -4.453 -10.819 1.00 0.00 H new ATOM 1995 N LEU B 123 19.353 -3.320 -7.754 1.00 0.00 N ATOM 1996 CA LEU B 123 20.171 -3.003 -6.593 1.00 0.00 C ATOM 1997 C LEU B 123 20.288 -4.232 -5.714 1.00 0.00 C ATOM 1998 O LEU B 123 21.197 -4.359 -4.890 1.00 0.00 O ATOM 1999 CB LEU B 123 19.554 -1.834 -5.822 1.00 0.00 C ATOM 2000 CG LEU B 123 19.693 -0.467 -6.501 1.00 0.00 C ATOM 2001 CD1 LEU B 123 19.018 0.615 -5.675 1.00 0.00 C ATOM 2002 CD2 LEU B 123 21.157 -0.121 -6.726 1.00 0.00 C ATOM 0 H LEU B 123 18.409 -2.936 -7.719 1.00 0.00 H new ATOM 0 HA LEU B 123 21.169 -2.705 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU B 123 18.495 -2.040 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU B 123 20.018 -1.783 -4.837 1.00 0.00 H new ATOM 0 HG LEU B 123 19.199 -0.522 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU B 123 19.129 1.577 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU B 123 17.959 0.382 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU B 123 19.482 0.663 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU B 123 21.231 0.853 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU B 123 21.675 -0.091 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU B 123 21.616 -0.877 -7.363 1.00 0.00 H new ATOM 2014 N VAL B 124 19.349 -5.140 -5.920 1.00 0.00 N ATOM 2015 CA VAL B 124 19.320 -6.418 -5.231 1.00 0.00 C ATOM 2016 C VAL B 124 18.878 -7.514 -6.183 1.00 0.00 C ATOM 2017 O VAL B 124 18.426 -7.238 -7.298 1.00 0.00 O ATOM 2018 CB VAL B 124 18.358 -6.388 -4.036 1.00 0.00 C ATOM 2019 CG1 VAL B 124 18.857 -5.426 -2.969 1.00 0.00 C ATOM 2020 CG2 VAL B 124 16.961 -6.016 -4.509 1.00 0.00 C ATOM 0 H VAL B 124 18.579 -5.009 -6.576 1.00 0.00 H new ATOM 0 HA VAL B 124 20.328 -6.617 -4.868 1.00 0.00 H new ATOM 0 HB VAL B 124 18.316 -7.380 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL B 124 18.161 -5.420 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL B 124 19.840 -5.745 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL B 124 18.929 -4.423 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL B 124 16.282 -5.996 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL B 124 16.985 -5.032 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL B 124 16.614 -6.753 -5.233 1.00 0.00 H new ATOM 2030 N ALA B 125 18.999 -8.748 -5.733 1.00 0.00 N ATOM 2031 CA ALA B 125 18.567 -9.893 -6.516 1.00 0.00 C ATOM 2032 C ALA B 125 17.193 -10.350 -6.046 1.00 0.00 C ATOM 2033 O ALA B 125 16.446 -10.987 -6.788 1.00 0.00 O ATOM 2034 CB ALA B 125 19.577 -11.026 -6.408 1.00 0.00 C ATOM 0 H ALA B 125 19.395 -8.986 -4.824 1.00 0.00 H new ATOM 0 HA ALA B 125 18.500 -9.600 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA B 125 19.236 -11.875 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA B 125 20.544 -10.688 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA B 125 19.675 -11.328 -5.365 1.00 0.00 H new ATOM 2040 N GLU B 126 16.868 -9.993 -4.811 1.00 0.00 N ATOM 2041 CA GLU B 126 15.600 -10.351 -4.196 1.00 0.00 C ATOM 2042 C GLU B 126 15.439 -9.569 -2.905 1.00 0.00 C ATOM 2043 O GLU B 126 16.341 -8.832 -2.525 1.00 0.00 O ATOM 2044 CB GLU B 126 15.562 -11.829 -3.867 1.00 0.00 C ATOM 2045 CG GLU B 126 16.441 -12.167 -2.686 1.00 0.00 C ATOM 2046 CD GLU B 126 16.044 -13.484 -2.056 1.00 0.00 C ATOM 2047 OE1 GLU B 126 15.026 -13.511 -1.338 1.00 0.00 O ATOM 2048 OE2 GLU B 126 16.735 -14.492 -2.265 1.00 0.00 O ATOM 0 H GLU B 126 17.480 -9.445 -4.206 1.00 0.00 H new ATOM 0 HA GLU B 126 14.797 -10.119 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU B 126 14.536 -12.127 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU B 126 15.885 -12.403 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU B 126 17.481 -12.216 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU B 126 16.374 -11.373 -1.943 1.00 0.00 H new ATOM 2055 N ARG B 127 14.330 -9.784 -2.208 1.00 0.00 N ATOM 2056 CA ARG B 127 14.030 -9.048 -0.984 1.00 0.00 C ATOM 2057 C ARG B 127 14.908 -9.477 0.194 1.00 0.00 C ATOM 2058 O ARG B 127 15.070 -8.725 1.147 1.00 0.00 O ATOM 2059 CB ARG B 127 12.548 -9.169 -0.649 1.00 0.00 C ATOM 2060 CG ARG B 127 11.693 -8.265 -1.518 1.00 0.00 C ATOM 2061 CD ARG B 127 10.243 -8.702 -1.545 1.00 0.00 C ATOM 2062 NE ARG B 127 9.637 -8.713 -0.215 1.00 0.00 N ATOM 2063 CZ ARG B 127 8.336 -8.892 0.002 1.00 0.00 C ATOM 2064 NH1 ARG B 127 7.504 -9.042 -1.023 1.00 0.00 N ATOM 2065 NH2 ARG B 127 7.866 -8.913 1.243 1.00 0.00 N ATOM 0 H ARG B 127 13.619 -10.466 -2.471 1.00 0.00 H new ATOM 0 HA ARG B 127 14.264 -7.999 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG B 127 12.230 -10.203 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG B 127 12.392 -8.917 0.400 1.00 0.00 H new ATOM 0 HG2 ARG B 127 11.756 -7.242 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG B 127 12.088 -8.260 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG B 127 9.677 -8.033 -2.193 1.00 0.00 H new ATOM 0 HD3 ARG B 127 10.175 -9.699 -1.980 1.00 0.00 H new ATOM 0 HE ARG B 127 10.245 -8.576 0.592 1.00 0.00 H new ATOM 0 HH11 ARG B 127 7.862 -9.020 -1.978 1.00 0.00 H new ATOM 0 HH12 ARG B 127 6.507 -9.179 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG B 127 8.502 -8.792 2.031 1.00 0.00 H new ATOM 0 HH22 ARG B 127 6.869 -9.050 1.408 1.00 0.00 H new ATOM 2079 N ARG B 128 15.468 -10.676 0.134 1.00 0.00 N ATOM 2080 CA ARG B 128 16.414 -11.130 1.159 1.00 0.00 C ATOM 2081 C ARG B 128 17.600 -10.173 1.289 1.00 0.00 C ATOM 2082 O ARG B 128 18.069 -9.897 2.392 1.00 0.00 O ATOM 2083 CB ARG B 128 16.945 -12.517 0.805 1.00 0.00 C ATOM 2084 CG ARG B 128 17.844 -13.140 1.857 1.00 0.00 C ATOM 2085 CD ARG B 128 18.611 -14.332 1.296 1.00 0.00 C ATOM 2086 NE ARG B 128 17.823 -15.092 0.322 1.00 0.00 N ATOM 2087 CZ ARG B 128 17.862 -16.414 0.176 1.00 0.00 C ATOM 2088 NH1 ARG B 128 18.628 -17.158 0.965 1.00 0.00 N ATOM 2089 NH2 ARG B 128 17.135 -16.985 -0.776 1.00 0.00 N ATOM 0 H ARG B 128 15.289 -11.354 -0.607 1.00 0.00 H new ATOM 0 HA ARG B 128 15.878 -11.160 2.107 1.00 0.00 H new ATOM 0 HB2 ARG B 128 16.099 -13.181 0.630 1.00 0.00 H new ATOM 0 HB3 ARG B 128 17.497 -12.451 -0.132 1.00 0.00 H new ATOM 0 HG2 ARG B 128 18.547 -12.393 2.226 1.00 0.00 H new ATOM 0 HG3 ARG B 128 17.243 -13.460 2.708 1.00 0.00 H new ATOM 0 HD2 ARG B 128 19.528 -13.981 0.823 1.00 0.00 H new ATOM 0 HD3 ARG B 128 18.905 -14.989 2.114 1.00 0.00 H new ATOM 0 HE ARG B 128 17.197 -14.568 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG B 128 19.193 -16.717 1.691 1.00 0.00 H new ATOM 0 HH12 ARG B 128 18.651 -18.171 0.846 1.00 0.00 H new ATOM 0 HH21 ARG B 128 16.554 -16.411 -1.387 1.00 0.00 H new ATOM 0 HH22 ARG B 128 17.157 -17.998 -0.897 1.00 0.00 H new ATOM 2103 N GLU B 129 18.056 -9.659 0.153 1.00 0.00 N ATOM 2104 CA GLU B 129 19.284 -8.872 0.088 1.00 0.00 C ATOM 2105 C GLU B 129 19.134 -7.497 0.734 1.00 0.00 C ATOM 2106 O GLU B 129 20.128 -6.827 1.016 1.00 0.00 O ATOM 2107 CB GLU B 129 19.705 -8.699 -1.367 1.00 0.00 C ATOM 2108 CG GLU B 129 20.053 -10.005 -2.059 1.00 0.00 C ATOM 2109 CD GLU B 129 21.318 -10.634 -1.514 1.00 0.00 C ATOM 2110 OE1 GLU B 129 22.398 -10.406 -2.094 1.00 0.00 O ATOM 2111 OE2 GLU B 129 21.234 -11.363 -0.506 1.00 0.00 O ATOM 0 H GLU B 129 17.588 -9.775 -0.746 1.00 0.00 H new ATOM 0 HA GLU B 129 20.045 -9.417 0.646 1.00 0.00 H new ATOM 0 HB2 GLU B 129 18.898 -8.211 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU B 129 20.567 -8.034 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU B 129 19.225 -10.705 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU B 129 20.172 -9.825 -3.127 1.00 0.00 H new ATOM 2118 N LEU B 130 17.902 -7.073 0.959 1.00 0.00 N ATOM 2119 CA LEU B 130 17.655 -5.754 1.525 1.00 0.00 C ATOM 2120 C LEU B 130 17.490 -5.839 3.039 1.00 0.00 C ATOM 2121 O LEU B 130 17.219 -4.843 3.710 1.00 0.00 O ATOM 2122 CB LEU B 130 16.433 -5.080 0.882 1.00 0.00 C ATOM 2123 CG LEU B 130 15.479 -5.998 0.108 1.00 0.00 C ATOM 2124 CD1 LEU B 130 14.116 -5.352 -0.025 1.00 0.00 C ATOM 2125 CD2 LEU B 130 16.033 -6.308 -1.274 1.00 0.00 C ATOM 0 H LEU B 130 17.062 -7.617 0.761 1.00 0.00 H new ATOM 0 HA LEU B 130 18.525 -5.135 1.305 1.00 0.00 H new ATOM 0 HB2 LEU B 130 15.865 -4.581 1.667 1.00 0.00 H new ATOM 0 HB3 LEU B 130 16.788 -4.305 0.203 1.00 0.00 H new ATOM 0 HG LEU B 130 15.381 -6.929 0.666 1.00 0.00 H new ATOM 0 HD11 LEU B 130 13.451 -6.016 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU B 130 13.703 -5.166 0.967 1.00 0.00 H new ATOM 0 HD13 LEU B 130 14.212 -4.408 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU B 130 15.340 -6.961 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU B 130 16.158 -5.380 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU B 130 16.998 -6.806 -1.176 1.00 0.00 H new ATOM 2137 N TYR B 131 17.648 -7.043 3.561 1.00 0.00 N ATOM 2138 CA TYR B 131 17.662 -7.272 4.996 1.00 0.00 C ATOM 2139 C TYR B 131 18.926 -8.046 5.334 1.00 0.00 C ATOM 2140 O TYR B 131 18.941 -9.278 5.285 1.00 0.00 O ATOM 2141 CB TYR B 131 16.420 -8.055 5.437 1.00 0.00 C ATOM 2142 CG TYR B 131 15.119 -7.440 4.970 1.00 0.00 C ATOM 2143 CD1 TYR B 131 14.408 -8.001 3.918 1.00 0.00 C ATOM 2144 CD2 TYR B 131 14.610 -6.290 5.563 1.00 0.00 C ATOM 2145 CE1 TYR B 131 13.229 -7.441 3.469 1.00 0.00 C ATOM 2146 CE2 TYR B 131 13.428 -5.724 5.122 1.00 0.00 C ATOM 2147 CZ TYR B 131 12.743 -6.304 4.073 1.00 0.00 C ATOM 2148 OH TYR B 131 11.571 -5.742 3.624 1.00 0.00 O ATOM 0 H TYR B 131 17.770 -7.888 3.003 1.00 0.00 H new ATOM 0 HA TYR B 131 17.649 -6.318 5.524 1.00 0.00 H new ATOM 0 HB2 TYR B 131 16.488 -9.074 5.055 1.00 0.00 H new ATOM 0 HB3 TYR B 131 16.411 -8.122 6.525 1.00 0.00 H new ATOM 0 HD1 TYR B 131 14.785 -8.894 3.441 1.00 0.00 H new ATOM 0 HD2 TYR B 131 15.146 -5.832 6.381 1.00 0.00 H new ATOM 0 HE1 TYR B 131 12.691 -7.892 2.649 1.00 0.00 H new ATOM 0 HE2 TYR B 131 13.043 -4.833 5.596 1.00 0.00 H new ATOM 0 HH TYR B 131 11.365 -4.946 4.157 1.00 0.00 H new