USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 Single : A 30 THR OG1 : rot 180:sc= -0.0956 USER MOD Single : A 33 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= -0.0112 (180deg=-0.221) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= 0.718 (180deg=0.351) USER MOD Single : A 49 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.35) USER MOD Single : A 51 HIS : no HD1:sc=-0.00175 K(o=-0.0017,f=-0.65) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.94) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00265) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00261) USER MOD Single : A 72 THR OG1 : rot -33:sc= 0.15 USER MOD Single : A 74 ASN : amide:sc= 0.0896 X(o=0.09,f=-0.28) USER MOD Single : A 75 LYS NZ :NH3+ -112:sc= 1.62 (180deg=-1.82!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 75:sc= 0.322 USER MOD Single : A 82 TYR OH : rot 40:sc= -0.0345 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 84 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.69) USER MOD Single : A 88 THR OG1 : rot -59:sc= -0.224 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0629) USER MOD ----------------------------------------------------------------- ATOM 95 N ARG A 27 -5.537 4.885 1.782 1.00 0.00 N ATOM 96 CA ARG A 27 -4.730 4.857 0.570 1.00 0.00 C ATOM 97 C ARG A 27 -3.816 6.098 0.502 1.00 0.00 C ATOM 98 O ARG A 27 -4.251 7.231 0.716 1.00 0.00 O ATOM 99 CB ARG A 27 -5.628 4.683 -0.697 1.00 0.00 C ATOM 100 CG ARG A 27 -6.245 5.965 -1.272 1.00 0.00 C ATOM 101 CD ARG A 27 -7.225 5.711 -2.431 1.00 0.00 C ATOM 102 NE ARG A 27 -7.954 6.936 -2.793 1.00 0.00 N ATOM 103 CZ ARG A 27 -8.916 7.022 -3.721 1.00 0.00 C ATOM 104 NH1 ARG A 27 -9.208 6.001 -4.520 1.00 0.00 N ATOM 105 NH2 ARG A 27 -9.564 8.162 -3.868 1.00 0.00 N ATOM 0 HA ARG A 27 -4.075 3.987 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.032 4.210 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.436 3.994 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.767 6.496 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.445 6.619 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.678 5.341 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.934 4.934 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.706 7.792 -2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.694 5.124 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.946 6.094 -5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.330 8.961 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.299 8.244 -4.570 1.00 0.00 H new ATOM 119 N ALA A 28 -2.539 5.839 0.242 1.00 0.00 N ATOM 120 CA ALA A 28 -1.462 6.820 0.401 1.00 0.00 C ATOM 121 C ALA A 28 -1.454 7.879 -0.717 1.00 0.00 C ATOM 122 O ALA A 28 -0.927 8.983 -0.529 1.00 0.00 O ATOM 123 CB ALA A 28 -0.121 6.065 0.471 1.00 0.00 C ATOM 0 H ALA A 28 -2.215 4.931 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.627 7.373 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.693 6.780 0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.131 5.383 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.025 5.497 -0.448 1.00 0.00 H new ATOM 129 N TRP A 29 -2.059 7.537 -1.875 1.00 0.00 N ATOM 130 CA TRP A 29 -1.941 8.315 -3.126 1.00 0.00 C ATOM 131 C TRP A 29 -3.295 8.401 -3.848 1.00 0.00 C ATOM 132 O TRP A 29 -4.135 7.493 -3.738 1.00 0.00 O ATOM 133 CB TRP A 29 -0.899 7.650 -4.071 1.00 0.00 C ATOM 134 CG TRP A 29 0.413 7.327 -3.406 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.339 8.206 -2.906 1.00 0.00 C ATOM 136 CD2 TRP A 29 0.918 6.017 -3.132 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.385 7.514 -2.354 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.142 6.171 -2.477 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.438 4.732 -3.375 1.00 0.00 C ATOM 140 CZ2 TRP A 29 2.900 5.087 -2.072 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.193 3.655 -2.973 1.00 0.00 C ATOM 142 CH2 TRP A 29 2.413 3.838 -2.320 1.00 0.00 C ATOM 0 H TRP A 29 -2.646 6.708 -1.968 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.614 9.322 -2.867 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.325 6.732 -4.476 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.713 8.314 -4.915 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.256 9.282 -2.942 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.210 7.931 -1.922 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.510 4.584 -3.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.849 5.226 -1.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.837 2.654 -3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.981 2.975 -2.006 1.00 0.00 H new ATOM 153 N THR A 30 -3.482 9.502 -4.588 1.00 0.00 N ATOM 154 CA THR A 30 -4.612 9.683 -5.512 1.00 0.00 C ATOM 155 C THR A 30 -4.210 9.165 -6.905 1.00 0.00 C ATOM 156 O THR A 30 -3.043 8.832 -7.130 1.00 0.00 O ATOM 157 CB THR A 30 -5.037 11.186 -5.598 1.00 0.00 C ATOM 158 OG1 THR A 30 -3.882 11.991 -5.911 1.00 0.00 O ATOM 159 CG2 THR A 30 -5.698 11.677 -4.293 1.00 0.00 C ATOM 0 H THR A 30 -2.848 10.300 -4.563 1.00 0.00 H new ATOM 0 HA THR A 30 -5.466 9.118 -5.138 1.00 0.00 H new ATOM 0 HB THR A 30 -5.781 11.284 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.145 12.933 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.977 12.725 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.589 11.083 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.995 11.570 -3.467 1.00 0.00 H new ATOM 167 N VAL A 31 -5.179 9.139 -7.840 1.00 0.00 N ATOM 168 CA VAL A 31 -5.000 8.568 -9.194 1.00 0.00 C ATOM 169 C VAL A 31 -3.860 9.272 -9.988 1.00 0.00 C ATOM 170 O VAL A 31 -3.126 8.624 -10.751 1.00 0.00 O ATOM 171 CB VAL A 31 -6.362 8.588 -9.994 1.00 0.00 C ATOM 172 CG1 VAL A 31 -6.910 10.025 -10.194 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.256 7.820 -11.340 1.00 0.00 C ATOM 0 H VAL A 31 -6.114 9.515 -7.679 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.693 7.529 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.089 8.059 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.847 9.983 -10.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.084 10.486 -9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.184 10.617 -10.752 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.215 7.859 -11.858 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.489 8.281 -11.962 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.990 6.781 -11.146 1.00 0.00 H new ATOM 183 N GLU A 32 -3.706 10.600 -9.757 1.00 0.00 N ATOM 184 CA GLU A 32 -2.634 11.419 -10.368 1.00 0.00 C ATOM 185 C GLU A 32 -1.255 11.059 -9.774 1.00 0.00 C ATOM 186 O GLU A 32 -0.247 11.090 -10.479 1.00 0.00 O ATOM 187 CB GLU A 32 -2.924 12.940 -10.189 1.00 0.00 C ATOM 188 CG GLU A 32 -3.010 13.422 -8.729 1.00 0.00 C ATOM 189 CD GLU A 32 -3.292 14.929 -8.608 1.00 0.00 C ATOM 190 OE1 GLU A 32 -4.472 15.333 -8.711 1.00 0.00 O ATOM 191 OE2 GLU A 32 -2.337 15.717 -8.452 1.00 0.00 O ATOM 0 H GLU A 32 -4.322 11.131 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.614 11.197 -11.435 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.142 13.505 -10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.863 13.176 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.796 12.869 -8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.074 13.191 -8.221 1.00 0.00 H new ATOM 198 N GLN A 33 -1.217 10.738 -8.474 1.00 0.00 N ATOM 199 CA GLN A 33 0.009 10.295 -7.791 1.00 0.00 C ATOM 200 C GLN A 33 0.388 8.859 -8.220 1.00 0.00 C ATOM 201 O GLN A 33 1.565 8.522 -8.296 1.00 0.00 O ATOM 202 CB GLN A 33 -0.179 10.410 -6.259 1.00 0.00 C ATOM 203 CG GLN A 33 -0.296 11.865 -5.738 1.00 0.00 C ATOM 204 CD GLN A 33 1.044 12.620 -5.667 1.00 0.00 C ATOM 205 OE1 GLN A 33 1.975 12.346 -6.414 1.00 0.00 O ATOM 206 NE2 GLN A 33 1.130 13.604 -4.789 1.00 0.00 N ATOM 0 H GLN A 33 -2.034 10.778 -7.865 1.00 0.00 H new ATOM 0 HA GLN A 33 0.837 10.941 -8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.076 9.861 -5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.663 9.926 -5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.977 12.417 -6.385 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.744 11.848 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.340 13.813 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.986 14.155 -4.723 1.00 0.00 H new ATOM 215 N LEU A 34 -0.624 8.051 -8.553 1.00 0.00 N ATOM 216 CA LEU A 34 -0.447 6.645 -8.965 1.00 0.00 C ATOM 217 C LEU A 34 0.162 6.522 -10.368 1.00 0.00 C ATOM 218 O LEU A 34 0.937 5.600 -10.636 1.00 0.00 O ATOM 219 CB LEU A 34 -1.803 5.929 -8.938 1.00 0.00 C ATOM 220 CG LEU A 34 -2.434 5.718 -7.547 1.00 0.00 C ATOM 221 CD1 LEU A 34 -3.879 5.205 -7.693 1.00 0.00 C ATOM 222 CD2 LEU A 34 -1.553 4.786 -6.677 1.00 0.00 C ATOM 0 H LEU A 34 -1.599 8.352 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 34 0.245 6.183 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.503 6.498 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.685 4.955 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.481 6.674 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.315 5.059 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.470 5.935 -8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.876 4.257 -8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.019 4.652 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.453 3.818 -7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.566 5.232 -6.550 1.00 0.00 H new ATOM 234 N ARG A 35 -0.248 7.425 -11.275 1.00 0.00 N ATOM 235 CA ARG A 35 0.305 7.481 -12.646 1.00 0.00 C ATOM 236 C ARG A 35 1.706 8.132 -12.632 1.00 0.00 C ATOM 237 O ARG A 35 2.507 7.906 -13.551 1.00 0.00 O ATOM 238 CB ARG A 35 -0.648 8.268 -13.592 1.00 0.00 C ATOM 239 CG ARG A 35 -0.691 9.791 -13.345 1.00 0.00 C ATOM 240 CD ARG A 35 -1.608 10.565 -14.301 1.00 0.00 C ATOM 241 NE ARG A 35 -1.387 12.021 -14.144 1.00 0.00 N ATOM 242 CZ ARG A 35 -2.313 12.942 -13.854 1.00 0.00 C ATOM 243 NH1 ARG A 35 -3.577 12.604 -13.643 1.00 0.00 N ATOM 244 NH2 ARG A 35 -1.957 14.204 -13.740 1.00 0.00 N ATOM 0 H ARG A 35 -0.962 8.129 -11.086 1.00 0.00 H new ATOM 0 HA ARG A 35 0.396 6.462 -13.022 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.343 8.090 -14.623 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.656 7.868 -13.484 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.019 9.971 -12.321 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.320 10.189 -13.430 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.409 10.267 -15.330 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.650 10.322 -14.095 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.432 12.356 -14.270 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.860 11.626 -13.700 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.267 13.322 -13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.982 14.473 -13.873 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.656 14.913 -13.519 1.00 0.00 H new ATOM 258 N SER A 36 1.975 8.932 -11.571 1.00 0.00 N ATOM 259 CA SER A 36 3.198 9.743 -11.451 1.00 0.00 C ATOM 260 C SER A 36 4.469 8.875 -11.511 1.00 0.00 C ATOM 261 O SER A 36 4.748 8.100 -10.594 1.00 0.00 O ATOM 262 CB SER A 36 3.155 10.570 -10.147 1.00 0.00 C ATOM 263 OG SER A 36 4.339 11.332 -9.946 1.00 0.00 O ATOM 0 H SER A 36 1.344 9.029 -10.776 1.00 0.00 H new ATOM 0 HA SER A 36 3.237 10.423 -12.302 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.296 11.240 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.010 9.899 -9.300 1.00 0.00 H new ATOM 0 HG SER A 36 4.264 11.839 -9.110 1.00 0.00 H new ATOM 269 N GLU A 37 5.205 9.012 -12.623 1.00 0.00 N ATOM 270 CA GLU A 37 6.472 8.288 -12.894 1.00 0.00 C ATOM 271 C GLU A 37 7.577 8.626 -11.871 1.00 0.00 C ATOM 272 O GLU A 37 8.538 7.858 -11.717 1.00 0.00 O ATOM 273 CB GLU A 37 6.935 8.627 -14.335 1.00 0.00 C ATOM 274 CG GLU A 37 7.065 10.147 -14.616 1.00 0.00 C ATOM 275 CD GLU A 37 7.303 10.484 -16.095 1.00 0.00 C ATOM 276 OE1 GLU A 37 6.448 10.124 -16.931 1.00 0.00 O ATOM 277 OE2 GLU A 37 8.335 11.106 -16.428 1.00 0.00 O ATOM 0 H GLU A 37 4.937 9.641 -13.380 1.00 0.00 H new ATOM 0 HA GLU A 37 6.286 7.218 -12.797 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.898 8.151 -14.517 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.227 8.196 -15.044 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.157 10.648 -14.280 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.888 10.548 -14.024 1.00 0.00 H new ATOM 284 N GLN A 38 7.433 9.781 -11.194 1.00 0.00 N ATOM 285 CA GLN A 38 8.346 10.229 -10.128 1.00 0.00 C ATOM 286 C GLN A 38 8.221 9.312 -8.894 1.00 0.00 C ATOM 287 O GLN A 38 9.198 9.094 -8.175 1.00 0.00 O ATOM 288 CB GLN A 38 8.026 11.701 -9.743 1.00 0.00 C ATOM 289 CG GLN A 38 8.033 12.691 -10.924 1.00 0.00 C ATOM 290 CD GLN A 38 9.396 12.845 -11.595 1.00 0.00 C ATOM 291 OE1 GLN A 38 9.734 12.115 -12.528 1.00 0.00 O ATOM 292 NE2 GLN A 38 10.187 13.793 -11.122 1.00 0.00 N ATOM 0 H GLN A 38 6.671 10.435 -11.374 1.00 0.00 H new ATOM 0 HA GLN A 38 9.371 10.175 -10.494 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.047 11.733 -9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.753 12.035 -9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.308 12.359 -11.668 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.701 13.667 -10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.874 14.379 -10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.110 13.938 -11.531 1.00 0.00 H new ATOM 301 N LEU A 39 7.001 8.793 -8.661 1.00 0.00 N ATOM 302 CA LEU A 39 6.718 7.830 -7.583 1.00 0.00 C ATOM 303 C LEU A 39 7.316 6.463 -7.993 1.00 0.00 C ATOM 304 O LEU A 39 7.040 6.003 -9.114 1.00 0.00 O ATOM 305 CB LEU A 39 5.172 7.732 -7.356 1.00 0.00 C ATOM 306 CG LEU A 39 4.655 7.287 -5.938 1.00 0.00 C ATOM 307 CD1 LEU A 39 3.138 7.473 -5.835 1.00 0.00 C ATOM 308 CD2 LEU A 39 5.038 5.836 -5.555 1.00 0.00 C ATOM 0 H LEU A 39 6.181 9.032 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 39 7.169 8.152 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.741 8.709 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.771 7.034 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 39 5.160 7.936 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.799 7.160 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.889 8.523 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.645 6.869 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.645 5.605 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.615 5.144 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.123 5.736 -5.547 1.00 0.00 H new ATOM 320 N PRO A 40 8.157 5.807 -7.121 1.00 0.00 N ATOM 321 CA PRO A 40 8.666 4.442 -7.381 1.00 0.00 C ATOM 322 C PRO A 40 7.523 3.423 -7.628 1.00 0.00 C ATOM 323 O PRO A 40 6.594 3.315 -6.826 1.00 0.00 O ATOM 324 CB PRO A 40 9.483 4.100 -6.103 1.00 0.00 C ATOM 325 CG PRO A 40 9.860 5.431 -5.525 1.00 0.00 C ATOM 326 CD PRO A 40 8.702 6.355 -5.842 1.00 0.00 C ATOM 0 HA PRO A 40 9.267 4.393 -8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.891 3.516 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.366 3.508 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.022 5.360 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.787 5.800 -5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.953 6.346 -5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.032 7.387 -5.956 1.00 0.00 H new ATOM 334 N LYS A 41 7.609 2.711 -8.765 1.00 0.00 N ATOM 335 CA LYS A 41 6.652 1.654 -9.163 1.00 0.00 C ATOM 336 C LYS A 41 6.592 0.551 -8.092 1.00 0.00 C ATOM 337 O LYS A 41 5.516 0.036 -7.772 1.00 0.00 O ATOM 338 CB LYS A 41 7.095 1.059 -10.520 1.00 0.00 C ATOM 339 CG LYS A 41 7.183 2.093 -11.664 1.00 0.00 C ATOM 340 CD LYS A 41 7.655 1.488 -12.998 1.00 0.00 C ATOM 341 CE LYS A 41 9.115 1.033 -12.958 1.00 0.00 C ATOM 342 NZ LYS A 41 10.038 2.169 -12.697 1.00 0.00 N ATOM 0 H LYS A 41 8.355 2.853 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 41 5.656 2.086 -9.260 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.069 0.586 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.394 0.275 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.204 2.550 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.867 2.890 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.021 0.638 -13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.531 2.226 -13.791 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.240 0.277 -12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.376 0.563 -13.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.016 1.874 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.788 2.968 -13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.957 2.460 -11.702 1.00 0.00 H new ATOM 356 N LYS A 42 7.770 0.257 -7.521 1.00 0.00 N ATOM 357 CA LYS A 42 7.939 -0.693 -6.410 1.00 0.00 C ATOM 358 C LYS A 42 7.181 -0.241 -5.147 1.00 0.00 C ATOM 359 O LYS A 42 6.626 -1.067 -4.437 1.00 0.00 O ATOM 360 CB LYS A 42 9.459 -0.875 -6.101 1.00 0.00 C ATOM 361 CG LYS A 42 10.195 0.437 -5.747 1.00 0.00 C ATOM 362 CD LYS A 42 11.693 0.243 -5.438 1.00 0.00 C ATOM 363 CE LYS A 42 12.495 -0.307 -6.634 1.00 0.00 C ATOM 364 NZ LYS A 42 13.944 -0.377 -6.336 1.00 0.00 N ATOM 0 H LYS A 42 8.647 0.680 -7.823 1.00 0.00 H new ATOM 0 HA LYS A 42 7.513 -1.649 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.569 -1.575 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.943 -1.328 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.092 1.136 -6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.711 0.893 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.120 1.198 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.798 -0.439 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.128 -1.300 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.333 0.329 -7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.451 -0.751 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.299 0.575 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.101 -1.004 -5.521 1.00 0.00 H new ATOM 378 N ASP A 43 7.137 1.078 -4.902 1.00 0.00 N ATOM 379 CA ASP A 43 6.552 1.634 -3.669 1.00 0.00 C ATOM 380 C ASP A 43 5.018 1.453 -3.659 1.00 0.00 C ATOM 381 O ASP A 43 4.426 1.233 -2.598 1.00 0.00 O ATOM 382 CB ASP A 43 6.953 3.118 -3.506 1.00 0.00 C ATOM 383 CG ASP A 43 6.590 3.711 -2.134 1.00 0.00 C ATOM 384 OD1 ASP A 43 6.914 3.090 -1.096 1.00 0.00 O ATOM 385 OD2 ASP A 43 6.030 4.818 -2.083 1.00 0.00 O ATOM 0 H ASP A 43 7.501 1.783 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 43 6.949 1.085 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.028 3.213 -3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.466 3.704 -4.285 1.00 0.00 H new ATOM 390 N ILE A 44 4.387 1.504 -4.854 1.00 0.00 N ATOM 391 CA ILE A 44 2.940 1.223 -5.007 1.00 0.00 C ATOM 392 C ILE A 44 2.666 -0.259 -4.691 1.00 0.00 C ATOM 393 O ILE A 44 1.826 -0.580 -3.850 1.00 0.00 O ATOM 394 CB ILE A 44 2.405 1.576 -6.451 1.00 0.00 C ATOM 395 CG1 ILE A 44 2.740 3.060 -6.812 1.00 0.00 C ATOM 396 CG2 ILE A 44 0.877 1.312 -6.575 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.307 3.490 -8.208 1.00 0.00 C ATOM 0 H ILE A 44 4.858 1.738 -5.728 1.00 0.00 H new ATOM 0 HA ILE A 44 2.406 1.861 -4.303 1.00 0.00 H new ATOM 0 HB ILE A 44 2.910 0.922 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.263 3.714 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.816 3.208 -6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.544 1.566 -7.581 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.673 0.259 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.342 1.926 -5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.581 4.533 -8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.803 2.866 -8.951 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.227 3.379 -8.304 1.00 0.00 H new ATOM 409 N ILE A 45 3.428 -1.137 -5.365 1.00 0.00 N ATOM 410 CA ILE A 45 3.353 -2.612 -5.204 1.00 0.00 C ATOM 411 C ILE A 45 3.628 -3.043 -3.738 1.00 0.00 C ATOM 412 O ILE A 45 3.050 -4.015 -3.251 1.00 0.00 O ATOM 413 CB ILE A 45 4.386 -3.296 -6.177 1.00 0.00 C ATOM 414 CG1 ILE A 45 4.077 -2.899 -7.653 1.00 0.00 C ATOM 415 CG2 ILE A 45 4.434 -4.838 -6.008 1.00 0.00 C ATOM 416 CD1 ILE A 45 5.166 -3.244 -8.654 1.00 0.00 C ATOM 0 H ILE A 45 4.126 -0.845 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 45 2.342 -2.934 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 45 5.377 -2.929 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.154 -3.391 -7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.895 -1.825 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.162 -5.258 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.724 -5.083 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.450 -5.258 -6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.857 -2.929 -9.651 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.088 -2.731 -8.380 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.336 -4.321 -8.650 1.00 0.00 H new ATOM 428 N LYS A 46 4.505 -2.285 -3.067 1.00 0.00 N ATOM 429 CA LYS A 46 4.897 -2.509 -1.658 1.00 0.00 C ATOM 430 C LYS A 46 3.678 -2.377 -0.723 1.00 0.00 C ATOM 431 O LYS A 46 3.506 -3.161 0.214 1.00 0.00 O ATOM 432 CB LYS A 46 5.966 -1.465 -1.262 1.00 0.00 C ATOM 433 CG LYS A 46 6.625 -1.668 0.123 1.00 0.00 C ATOM 434 CD LYS A 46 7.398 -0.417 0.607 1.00 0.00 C ATOM 435 CE LYS A 46 8.431 0.103 -0.408 1.00 0.00 C ATOM 436 NZ LYS A 46 9.018 1.394 0.033 1.00 0.00 N ATOM 0 H LYS A 46 4.973 -1.484 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 46 5.299 -3.517 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.749 -1.469 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.507 -0.477 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.856 -1.920 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.308 -2.516 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.685 0.378 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.907 -0.654 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.223 -0.635 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.956 0.230 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.965 1.505 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.409 2.177 -0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.091 1.406 1.070 1.00 0.00 H new ATOM 450 N PHE A 47 2.860 -1.356 -1.017 1.00 0.00 N ATOM 451 CA PHE A 47 1.616 -1.079 -0.285 1.00 0.00 C ATOM 452 C PHE A 47 0.560 -2.162 -0.614 1.00 0.00 C ATOM 453 O PHE A 47 -0.193 -2.609 0.268 1.00 0.00 O ATOM 454 CB PHE A 47 1.117 0.351 -0.666 1.00 0.00 C ATOM 455 CG PHE A 47 -0.089 0.900 0.106 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.488 0.373 1.328 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.803 1.971 -0.397 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.567 0.897 2.009 1.00 0.00 C ATOM 459 CE2 PHE A 47 -1.877 2.496 0.282 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.261 1.961 1.487 1.00 0.00 C ATOM 0 H PHE A 47 3.044 -0.696 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 47 1.791 -1.110 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.947 1.045 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.867 0.350 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.055 -0.459 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.511 2.404 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.867 0.470 2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.420 3.332 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.104 2.374 2.021 1.00 0.00 H new ATOM 470 N LEU A 48 0.545 -2.597 -1.887 1.00 0.00 N ATOM 471 CA LEU A 48 -0.408 -3.605 -2.392 1.00 0.00 C ATOM 472 C LEU A 48 -0.149 -5.001 -1.810 1.00 0.00 C ATOM 473 O LEU A 48 -1.084 -5.774 -1.651 1.00 0.00 O ATOM 474 CB LEU A 48 -0.362 -3.641 -3.943 1.00 0.00 C ATOM 475 CG LEU A 48 -0.783 -2.312 -4.643 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.694 -2.419 -6.185 1.00 0.00 C ATOM 477 CD2 LEU A 48 -2.182 -1.881 -4.179 1.00 0.00 C ATOM 0 H LEU A 48 1.195 -2.259 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.405 -3.310 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.651 -3.895 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.014 -4.441 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.076 -1.537 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.996 -1.472 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.331 -2.648 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.355 -3.212 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.460 -0.952 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.904 -2.658 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.176 -1.727 -3.100 1.00 0.00 H new ATOM 489 N GLN A 49 1.120 -5.326 -1.519 1.00 0.00 N ATOM 490 CA GLN A 49 1.475 -6.610 -0.876 1.00 0.00 C ATOM 491 C GLN A 49 1.351 -6.524 0.656 1.00 0.00 C ATOM 492 O GLN A 49 1.092 -7.539 1.313 1.00 0.00 O ATOM 493 CB GLN A 49 2.885 -7.089 -1.309 1.00 0.00 C ATOM 494 CG GLN A 49 4.050 -6.211 -0.828 1.00 0.00 C ATOM 495 CD GLN A 49 5.430 -6.759 -1.190 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.373 -6.605 -0.426 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.575 -7.363 -2.366 1.00 0.00 N ATOM 0 H GLN A 49 1.918 -4.723 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 49 0.759 -7.358 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.037 -8.102 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.915 -7.141 -2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.942 -5.215 -1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.986 -6.101 0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.771 -7.478 -2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.490 -7.712 -2.651 1.00 0.00 H new ATOM 506 N GLU A 50 1.537 -5.300 1.204 1.00 0.00 N ATOM 507 CA GLU A 50 1.492 -5.049 2.661 1.00 0.00 C ATOM 508 C GLU A 50 0.117 -5.401 3.244 1.00 0.00 C ATOM 509 O GLU A 50 0.012 -5.883 4.375 1.00 0.00 O ATOM 510 CB GLU A 50 1.825 -3.560 2.966 1.00 0.00 C ATOM 511 CG GLU A 50 1.910 -3.208 4.470 1.00 0.00 C ATOM 512 CD GLU A 50 2.184 -1.719 4.738 1.00 0.00 C ATOM 513 OE1 GLU A 50 1.247 -0.908 4.615 1.00 0.00 O ATOM 514 OE2 GLU A 50 3.338 -1.353 5.061 1.00 0.00 O ATOM 0 H GLU A 50 1.722 -4.464 0.650 1.00 0.00 H new ATOM 0 HA GLU A 50 2.239 -5.689 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.776 -3.311 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.066 -2.930 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.975 -3.490 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.699 -3.803 4.930 1.00 0.00 H new ATOM 521 N HIS A 51 -0.933 -5.153 2.451 1.00 0.00 N ATOM 522 CA HIS A 51 -2.322 -5.410 2.856 1.00 0.00 C ATOM 523 C HIS A 51 -2.913 -6.541 2.012 1.00 0.00 C ATOM 524 O HIS A 51 -3.549 -7.444 2.557 1.00 0.00 O ATOM 525 CB HIS A 51 -3.165 -4.121 2.732 1.00 0.00 C ATOM 526 CG HIS A 51 -2.714 -3.018 3.645 1.00 0.00 C ATOM 527 ND1 HIS A 51 -3.378 -2.664 4.796 1.00 0.00 N ATOM 528 CD2 HIS A 51 -1.656 -2.190 3.560 1.00 0.00 C ATOM 529 CE1 HIS A 51 -2.745 -1.662 5.373 1.00 0.00 C ATOM 530 NE2 HIS A 51 -1.695 -1.357 4.644 1.00 0.00 N ATOM 0 H HIS A 51 -0.844 -4.769 1.510 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.337 -5.721 3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.124 -3.768 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.207 -4.356 2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.911 -2.185 2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.040 -1.174 6.290 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.021 -0.621 4.852 1.00 0.00 H new ATOM 539 N GLY A 52 -2.670 -6.485 0.681 1.00 0.00 N ATOM 540 CA GLY A 52 -3.241 -7.428 -0.286 1.00 0.00 C ATOM 541 C GLY A 52 -2.921 -8.889 -0.001 1.00 0.00 C ATOM 542 O GLY A 52 -1.764 -9.235 0.236 1.00 0.00 O ATOM 0 H GLY A 52 -2.069 -5.779 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.324 -7.302 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.875 -7.176 -1.281 1.00 0.00 H new ATOM 546 N SER A 53 -3.963 -9.730 -0.029 1.00 0.00 N ATOM 547 CA SER A 53 -3.872 -11.161 0.277 1.00 0.00 C ATOM 548 C SER A 53 -3.167 -11.941 -0.848 1.00 0.00 C ATOM 549 O SER A 53 -3.008 -11.440 -1.966 1.00 0.00 O ATOM 550 CB SER A 53 -5.298 -11.698 0.521 1.00 0.00 C ATOM 551 OG SER A 53 -5.950 -10.990 1.571 1.00 0.00 O ATOM 0 H SER A 53 -4.908 -9.429 -0.269 1.00 0.00 H new ATOM 0 HA SER A 53 -3.266 -11.300 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.882 -11.611 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.251 -12.758 0.770 1.00 0.00 H new ATOM 0 HG SER A 53 -6.851 -11.353 1.700 1.00 0.00 H new ATOM 557 N ASP A 54 -2.786 -13.189 -0.522 1.00 0.00 N ATOM 558 CA ASP A 54 -2.005 -14.079 -1.411 1.00 0.00 C ATOM 559 C ASP A 54 -2.661 -14.256 -2.797 1.00 0.00 C ATOM 560 O ASP A 54 -1.965 -14.298 -3.807 1.00 0.00 O ATOM 561 CB ASP A 54 -1.822 -15.459 -0.732 1.00 0.00 C ATOM 562 CG ASP A 54 -1.118 -16.507 -1.620 1.00 0.00 C ATOM 563 OD1 ASP A 54 0.125 -16.468 -1.740 1.00 0.00 O ATOM 564 OD2 ASP A 54 -1.812 -17.373 -2.211 1.00 0.00 O ATOM 0 H ASP A 54 -3.013 -13.616 0.376 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.035 -13.609 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.246 -15.328 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.800 -15.842 -0.442 1.00 0.00 H new ATOM 569 N SER A 55 -3.999 -14.353 -2.814 1.00 0.00 N ATOM 570 CA SER A 55 -4.775 -14.535 -4.054 1.00 0.00 C ATOM 571 C SER A 55 -4.685 -13.279 -4.958 1.00 0.00 C ATOM 572 O SER A 55 -4.571 -13.403 -6.178 1.00 0.00 O ATOM 573 CB SER A 55 -6.245 -14.857 -3.709 1.00 0.00 C ATOM 574 OG SER A 55 -6.982 -15.232 -4.861 1.00 0.00 O ATOM 0 H SER A 55 -4.574 -14.308 -1.972 1.00 0.00 H new ATOM 0 HA SER A 55 -4.351 -15.372 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.279 -15.663 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.710 -13.986 -3.247 1.00 0.00 H new ATOM 0 HG SER A 55 -7.907 -15.430 -4.607 1.00 0.00 H new ATOM 580 N PHE A 56 -4.692 -12.085 -4.331 1.00 0.00 N ATOM 581 CA PHE A 56 -4.528 -10.786 -5.033 1.00 0.00 C ATOM 582 C PHE A 56 -3.104 -10.673 -5.613 1.00 0.00 C ATOM 583 O PHE A 56 -2.918 -10.208 -6.749 1.00 0.00 O ATOM 584 CB PHE A 56 -4.819 -9.613 -4.043 1.00 0.00 C ATOM 585 CG PHE A 56 -4.495 -8.198 -4.563 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.210 -7.636 -5.619 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.483 -7.427 -3.982 1.00 0.00 C ATOM 588 CE1 PHE A 56 -4.928 -6.362 -6.078 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.198 -6.155 -4.443 1.00 0.00 C ATOM 590 CZ PHE A 56 -3.921 -5.622 -5.490 1.00 0.00 C ATOM 0 H PHE A 56 -4.811 -11.989 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.237 -10.729 -5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.874 -9.646 -3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.248 -9.783 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.999 -8.206 -6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.914 -7.832 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.496 -5.946 -6.897 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.409 -5.578 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.700 -4.628 -5.849 1.00 0.00 H new ATOM 600 N LEU A 57 -2.111 -11.122 -4.822 1.00 0.00 N ATOM 601 CA LEU A 57 -0.691 -11.004 -5.187 1.00 0.00 C ATOM 602 C LEU A 57 -0.354 -11.935 -6.360 1.00 0.00 C ATOM 603 O LEU A 57 0.093 -11.469 -7.394 1.00 0.00 O ATOM 604 CB LEU A 57 0.231 -11.289 -3.964 1.00 0.00 C ATOM 605 CG LEU A 57 -0.025 -10.418 -2.698 1.00 0.00 C ATOM 606 CD1 LEU A 57 1.055 -10.652 -1.621 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.176 -8.925 -3.062 1.00 0.00 C ATOM 0 H LEU A 57 -2.270 -11.572 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.509 -9.977 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.121 -12.338 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.266 -11.148 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.973 -10.735 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.844 -10.028 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.051 -11.701 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.034 -10.393 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.354 -8.346 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.736 -8.574 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.018 -8.800 -3.743 1.00 0.00 H new ATOM 619 N ALA A 58 -0.649 -13.239 -6.199 1.00 0.00 N ATOM 620 CA ALA A 58 -0.285 -14.308 -7.166 1.00 0.00 C ATOM 621 C ALA A 58 -0.932 -14.103 -8.555 1.00 0.00 C ATOM 622 O ALA A 58 -0.368 -14.536 -9.567 1.00 0.00 O ATOM 623 CB ALA A 58 -0.663 -15.691 -6.588 1.00 0.00 C ATOM 0 H ALA A 58 -1.153 -13.591 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 58 0.793 -14.257 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.394 -16.470 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.126 -15.854 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.736 -15.726 -6.401 1.00 0.00 H new ATOM 629 N GLU A 59 -2.119 -13.455 -8.594 1.00 0.00 N ATOM 630 CA GLU A 59 -2.792 -13.086 -9.864 1.00 0.00 C ATOM 631 C GLU A 59 -1.862 -12.264 -10.778 1.00 0.00 C ATOM 632 O GLU A 59 -1.785 -12.517 -11.980 1.00 0.00 O ATOM 633 CB GLU A 59 -4.096 -12.288 -9.607 1.00 0.00 C ATOM 634 CG GLU A 59 -5.329 -13.143 -9.255 1.00 0.00 C ATOM 635 CD GLU A 59 -6.634 -12.336 -9.125 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.746 -11.239 -9.719 1.00 0.00 O ATOM 637 OE2 GLU A 59 -7.571 -12.803 -8.454 1.00 0.00 O ATOM 0 H GLU A 59 -2.633 -13.176 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.044 -14.021 -10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.918 -11.584 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.324 -11.699 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.460 -13.906 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.141 -13.664 -8.316 1.00 0.00 H new ATOM 644 N HIS A 60 -1.176 -11.268 -10.199 1.00 0.00 N ATOM 645 CA HIS A 60 -0.310 -10.341 -10.961 1.00 0.00 C ATOM 646 C HIS A 60 1.173 -10.514 -10.576 1.00 0.00 C ATOM 647 O HIS A 60 2.041 -9.793 -11.084 1.00 0.00 O ATOM 648 CB HIS A 60 -0.776 -8.882 -10.717 1.00 0.00 C ATOM 649 CG HIS A 60 -0.211 -7.903 -11.708 1.00 0.00 C ATOM 650 ND1 HIS A 60 0.925 -7.158 -11.477 1.00 0.00 N ATOM 651 CD2 HIS A 60 -0.600 -7.610 -12.964 1.00 0.00 C ATOM 652 CE1 HIS A 60 1.200 -6.442 -12.547 1.00 0.00 C ATOM 653 NE2 HIS A 60 0.292 -6.703 -13.463 1.00 0.00 N ATOM 0 H HIS A 60 -1.201 -11.079 -9.197 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.398 -10.574 -12.022 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.865 -8.844 -10.759 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.485 -8.579 -9.711 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.457 -8.016 -13.480 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.029 -5.758 -12.655 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.259 -6.294 -14.397 1.00 0.00 H new ATOM 662 N LYS A 61 1.450 -11.501 -9.709 1.00 0.00 N ATOM 663 CA LYS A 61 2.768 -11.724 -9.084 1.00 0.00 C ATOM 664 C LYS A 61 3.330 -10.419 -8.479 1.00 0.00 C ATOM 665 O LYS A 61 4.362 -9.920 -8.912 1.00 0.00 O ATOM 666 CB LYS A 61 3.749 -12.415 -10.075 1.00 0.00 C ATOM 667 CG LYS A 61 3.271 -13.808 -10.542 1.00 0.00 C ATOM 668 CD LYS A 61 3.126 -14.815 -9.367 1.00 0.00 C ATOM 669 CE LYS A 61 2.447 -16.130 -9.784 1.00 0.00 C ATOM 670 NZ LYS A 61 3.194 -16.835 -10.850 1.00 0.00 N ATOM 0 H LYS A 61 0.750 -12.182 -9.415 1.00 0.00 H new ATOM 0 HA LYS A 61 2.642 -12.413 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.884 -11.775 -10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.724 -12.515 -9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.312 -13.707 -11.050 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.978 -14.205 -11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.113 -15.035 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.548 -14.351 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.357 -16.781 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.435 -15.920 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.707 -17.723 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.243 -16.232 -11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.157 -17.045 -10.518 1.00 0.00 H new ATOM 684 N LEU A 62 2.566 -9.862 -7.508 1.00 0.00 N ATOM 685 CA LEU A 62 2.966 -8.680 -6.710 1.00 0.00 C ATOM 686 C LEU A 62 3.826 -9.116 -5.506 1.00 0.00 C ATOM 687 O LEU A 62 4.477 -8.287 -4.863 1.00 0.00 O ATOM 688 CB LEU A 62 1.710 -7.892 -6.237 1.00 0.00 C ATOM 689 CG LEU A 62 0.826 -7.280 -7.373 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.467 -6.658 -6.808 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.621 -6.257 -8.217 1.00 0.00 C ATOM 0 H LEU A 62 1.647 -10.225 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 62 3.564 -8.019 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.090 -8.559 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.036 -7.085 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 62 0.534 -8.095 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.058 -6.242 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.046 -7.426 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.212 -5.866 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.977 -5.851 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.968 -5.447 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.478 -6.751 -8.674 1.00 0.00 H new ATOM 703 N LEU A 63 3.796 -10.430 -5.219 1.00 0.00 N ATOM 704 CA LEU A 63 4.646 -11.073 -4.201 1.00 0.00 C ATOM 705 C LEU A 63 6.088 -11.252 -4.726 1.00 0.00 C ATOM 706 O LEU A 63 6.361 -11.044 -5.913 1.00 0.00 O ATOM 707 CB LEU A 63 3.995 -12.425 -3.731 1.00 0.00 C ATOM 708 CG LEU A 63 3.351 -13.363 -4.826 1.00 0.00 C ATOM 709 CD1 LEU A 63 4.388 -13.962 -5.797 1.00 0.00 C ATOM 710 CD2 LEU A 63 2.480 -14.466 -4.173 1.00 0.00 C ATOM 0 H LEU A 63 3.173 -11.083 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 63 4.715 -10.427 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.760 -12.999 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.222 -12.186 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 63 2.703 -12.730 -5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.881 -14.596 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.907 -13.157 -6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.110 -14.557 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.049 -15.097 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.098 -15.074 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.679 -14.003 -3.596 1.00 0.00 H new ATOM 722 N GLY A 64 6.989 -11.656 -3.819 1.00 0.00 N ATOM 723 CA GLY A 64 8.401 -11.874 -4.145 1.00 0.00 C ATOM 724 C GLY A 64 9.224 -10.601 -3.989 1.00 0.00 C ATOM 725 O GLY A 64 8.935 -9.786 -3.098 1.00 0.00 O ATOM 0 H GLY A 64 6.758 -11.840 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.807 -12.651 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.485 -12.237 -5.169 1.00 0.00 H new ATOM 729 N ASN A 65 10.259 -10.432 -4.841 1.00 0.00 N ATOM 730 CA ASN A 65 11.082 -9.205 -4.879 1.00 0.00 C ATOM 731 C ASN A 65 10.257 -8.085 -5.510 1.00 0.00 C ATOM 732 O ASN A 65 9.944 -8.161 -6.701 1.00 0.00 O ATOM 733 CB ASN A 65 12.386 -9.415 -5.696 1.00 0.00 C ATOM 734 CG ASN A 65 13.276 -10.515 -5.137 1.00 0.00 C ATOM 735 OD1 ASN A 65 14.118 -10.270 -4.275 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.094 -11.738 -5.612 1.00 0.00 N ATOM 0 H ASN A 65 10.546 -11.139 -5.518 1.00 0.00 H new ATOM 0 HA ASN A 65 11.369 -8.946 -3.860 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.126 -9.656 -6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.946 -8.480 -5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.661 -12.510 -5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.387 -11.907 -6.327 1.00 0.00 H new ATOM 743 N ILE A 66 9.919 -7.063 -4.701 1.00 0.00 N ATOM 744 CA ILE A 66 9.077 -5.921 -5.133 1.00 0.00 C ATOM 745 C ILE A 66 9.696 -5.236 -6.375 1.00 0.00 C ATOM 746 O ILE A 66 8.987 -4.822 -7.281 1.00 0.00 O ATOM 747 CB ILE A 66 8.921 -4.834 -4.000 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.620 -5.469 -2.619 1.00 0.00 C ATOM 749 CG2 ILE A 66 7.818 -3.821 -4.366 1.00 0.00 C ATOM 750 CD1 ILE A 66 8.619 -4.482 -1.448 1.00 0.00 C ATOM 0 H ILE A 66 10.220 -7.002 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 66 8.094 -6.330 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 66 9.876 -4.314 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.648 -5.960 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.360 -6.245 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.726 -3.080 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.078 -3.322 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.869 -4.344 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.399 -5.015 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.598 -4.009 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.859 -3.719 -1.616 1.00 0.00 H new ATOM 762 N LYS A 67 11.036 -5.126 -6.357 1.00 0.00 N ATOM 763 CA LYS A 67 11.852 -4.543 -7.443 1.00 0.00 C ATOM 764 C LYS A 67 11.697 -5.319 -8.774 1.00 0.00 C ATOM 765 O LYS A 67 11.633 -4.712 -9.851 1.00 0.00 O ATOM 766 CB LYS A 67 13.345 -4.524 -7.001 1.00 0.00 C ATOM 767 CG LYS A 67 13.916 -5.918 -6.625 1.00 0.00 C ATOM 768 CD LYS A 67 15.418 -5.895 -6.278 1.00 0.00 C ATOM 769 CE LYS A 67 15.943 -7.283 -5.867 1.00 0.00 C ATOM 770 NZ LYS A 67 17.405 -7.273 -5.626 1.00 0.00 N ATOM 0 H LYS A 67 11.598 -5.447 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 67 11.500 -3.528 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.946 -4.104 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.450 -3.858 -6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.361 -6.312 -5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.754 -6.604 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.982 -5.536 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.591 -5.188 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.429 -7.613 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.709 -8.005 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.718 -8.226 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.898 -6.983 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.626 -6.603 -4.862 1.00 0.00 H new ATOM 784 N ASN A 68 11.636 -6.659 -8.676 1.00 0.00 N ATOM 785 CA ASN A 68 11.552 -7.563 -9.841 1.00 0.00 C ATOM 786 C ASN A 68 10.145 -7.501 -10.453 1.00 0.00 C ATOM 787 O ASN A 68 9.983 -7.557 -11.680 1.00 0.00 O ATOM 788 CB ASN A 68 11.918 -9.010 -9.415 1.00 0.00 C ATOM 789 CG ASN A 68 11.923 -10.018 -10.567 1.00 0.00 C ATOM 790 OD1 ASN A 68 10.928 -10.699 -10.823 1.00 0.00 O ATOM 791 ND2 ASN A 68 13.038 -10.106 -11.283 1.00 0.00 N ATOM 0 H ASN A 68 11.644 -7.150 -7.782 1.00 0.00 H new ATOM 0 HA ASN A 68 12.265 -7.243 -10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.903 -9.002 -8.949 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.210 -9.344 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 68 13.088 -10.751 -12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 68 13.844 -9.528 -11.045 1.00 0.00 H new ATOM 798 N VAL A 69 9.144 -7.365 -9.564 1.00 0.00 N ATOM 799 CA VAL A 69 7.746 -7.120 -9.945 1.00 0.00 C ATOM 800 C VAL A 69 7.638 -5.759 -10.660 1.00 0.00 C ATOM 801 O VAL A 69 7.062 -5.661 -11.732 1.00 0.00 O ATOM 802 CB VAL A 69 6.805 -7.127 -8.680 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.329 -6.889 -9.081 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.967 -8.441 -7.873 1.00 0.00 C ATOM 0 H VAL A 69 9.286 -7.423 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 69 7.427 -7.918 -10.615 1.00 0.00 H new ATOM 0 HB VAL A 69 7.107 -6.303 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.703 -6.899 -8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.238 -5.923 -9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.005 -7.677 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.307 -8.419 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.708 -9.290 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.000 -8.538 -7.540 1.00 0.00 H new ATOM 814 N ALA A 70 8.296 -4.749 -10.069 1.00 0.00 N ATOM 815 CA ALA A 70 8.282 -3.349 -10.541 1.00 0.00 C ATOM 816 C ALA A 70 9.001 -3.179 -11.892 1.00 0.00 C ATOM 817 O ALA A 70 8.816 -2.170 -12.575 1.00 0.00 O ATOM 818 CB ALA A 70 8.920 -2.449 -9.473 1.00 0.00 C ATOM 0 H ALA A 70 8.865 -4.882 -9.233 1.00 0.00 H new ATOM 0 HA ALA A 70 7.244 -3.057 -10.701 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.912 -1.415 -9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.353 -2.527 -8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.948 -2.765 -9.298 1.00 0.00 H new ATOM 824 N LYS A 71 9.826 -4.164 -12.255 1.00 0.00 N ATOM 825 CA LYS A 71 10.511 -4.199 -13.552 1.00 0.00 C ATOM 826 C LYS A 71 9.535 -4.621 -14.665 1.00 0.00 C ATOM 827 O LYS A 71 9.518 -4.033 -15.751 1.00 0.00 O ATOM 828 CB LYS A 71 11.707 -5.179 -13.474 1.00 0.00 C ATOM 829 CG LYS A 71 12.453 -5.414 -14.809 1.00 0.00 C ATOM 830 CD LYS A 71 13.613 -6.423 -14.674 1.00 0.00 C ATOM 831 CE LYS A 71 13.165 -7.824 -14.211 1.00 0.00 C ATOM 832 NZ LYS A 71 12.241 -8.465 -15.175 1.00 0.00 N ATOM 0 H LYS A 71 10.039 -4.962 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 71 10.882 -3.202 -13.791 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.419 -4.801 -12.740 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.346 -6.139 -13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.747 -5.776 -15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.844 -4.464 -15.174 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.119 -6.512 -15.635 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.343 -6.032 -13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.042 -8.457 -14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.676 -7.744 -13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.980 -9.411 -14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.384 -7.884 -15.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.709 -8.551 -16.100 1.00 0.00 H new ATOM 846 N THR A 72 8.725 -5.647 -14.368 1.00 0.00 N ATOM 847 CA THR A 72 7.854 -6.318 -15.352 1.00 0.00 C ATOM 848 C THR A 72 6.372 -5.841 -15.282 1.00 0.00 C ATOM 849 O THR A 72 5.563 -6.183 -16.156 1.00 0.00 O ATOM 850 CB THR A 72 7.944 -7.877 -15.140 1.00 0.00 C ATOM 851 OG1 THR A 72 7.261 -8.571 -16.193 1.00 0.00 O ATOM 852 CG2 THR A 72 7.373 -8.323 -13.776 1.00 0.00 C ATOM 0 H THR A 72 8.653 -6.041 -13.430 1.00 0.00 H new ATOM 0 HA THR A 72 8.211 -6.050 -16.346 1.00 0.00 H new ATOM 0 HB THR A 72 9.004 -8.131 -15.157 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.489 -8.043 -16.486 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.460 -9.405 -13.682 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.932 -7.843 -12.973 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.324 -8.036 -13.709 1.00 0.00 H new ATOM 860 N ALA A 73 6.030 -5.057 -14.239 1.00 0.00 N ATOM 861 CA ALA A 73 4.662 -4.517 -14.041 1.00 0.00 C ATOM 862 C ALA A 73 4.498 -3.175 -14.780 1.00 0.00 C ATOM 863 O ALA A 73 5.487 -2.500 -15.091 1.00 0.00 O ATOM 864 CB ALA A 73 4.348 -4.363 -12.536 1.00 0.00 C ATOM 0 H ALA A 73 6.689 -4.779 -13.511 1.00 0.00 H new ATOM 0 HA ALA A 73 3.948 -5.225 -14.462 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.340 -3.966 -12.413 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.416 -5.336 -12.049 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.065 -3.679 -12.083 1.00 0.00 H new ATOM 870 N ASN A 74 3.239 -2.795 -15.032 1.00 0.00 N ATOM 871 CA ASN A 74 2.871 -1.588 -15.806 1.00 0.00 C ATOM 872 C ASN A 74 2.250 -0.543 -14.857 1.00 0.00 C ATOM 873 O ASN A 74 1.321 -0.875 -14.118 1.00 0.00 O ATOM 874 CB ASN A 74 1.878 -2.001 -16.924 1.00 0.00 C ATOM 875 CG ASN A 74 1.442 -0.881 -17.854 1.00 0.00 C ATOM 876 OD1 ASN A 74 2.184 0.066 -18.104 1.00 0.00 O ATOM 877 ND2 ASN A 74 0.235 -0.996 -18.382 1.00 0.00 N ATOM 0 H ASN A 74 2.430 -3.321 -14.702 1.00 0.00 H new ATOM 0 HA ASN A 74 3.751 -1.141 -16.269 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.337 -2.789 -17.521 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.991 -2.430 -16.458 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.111 -0.282 -19.023 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.350 -1.798 -18.148 1.00 0.00 H new ATOM 884 N LYS A 75 2.750 0.714 -14.923 1.00 0.00 N ATOM 885 CA LYS A 75 2.428 1.792 -13.943 1.00 0.00 C ATOM 886 C LYS A 75 0.917 2.098 -13.890 1.00 0.00 C ATOM 887 O LYS A 75 0.366 2.308 -12.808 1.00 0.00 O ATOM 888 CB LYS A 75 3.227 3.091 -14.274 1.00 0.00 C ATOM 889 CG LYS A 75 3.260 4.175 -13.161 1.00 0.00 C ATOM 890 CD LYS A 75 3.928 3.653 -11.862 1.00 0.00 C ATOM 891 CE LYS A 75 4.552 4.764 -10.998 1.00 0.00 C ATOM 892 NZ LYS A 75 3.555 5.733 -10.501 1.00 0.00 N ATOM 0 H LYS A 75 3.390 1.015 -15.658 1.00 0.00 H new ATOM 0 HA LYS A 75 2.725 1.429 -12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.253 2.811 -14.511 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.802 3.536 -15.174 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.802 5.049 -13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.243 4.500 -12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.184 3.119 -11.270 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.702 2.932 -12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.066 4.312 -10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.305 5.292 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.710 6.655 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.598 5.393 -10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.653 5.834 -9.471 1.00 0.00 H new ATOM 906 N ASP A 76 0.260 2.109 -15.069 1.00 0.00 N ATOM 907 CA ASP A 76 -1.182 2.445 -15.171 1.00 0.00 C ATOM 908 C ASP A 76 -2.057 1.284 -14.667 1.00 0.00 C ATOM 909 O ASP A 76 -3.178 1.498 -14.194 1.00 0.00 O ATOM 910 CB ASP A 76 -1.598 2.869 -16.608 1.00 0.00 C ATOM 911 CG ASP A 76 -1.409 1.791 -17.691 1.00 0.00 C ATOM 912 OD1 ASP A 76 -2.259 0.881 -17.816 1.00 0.00 O ATOM 913 OD2 ASP A 76 -0.415 1.858 -18.443 1.00 0.00 O ATOM 0 H ASP A 76 0.701 1.890 -15.963 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.347 3.309 -14.527 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.647 3.166 -16.593 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.022 3.750 -16.891 1.00 0.00 H new ATOM 918 N HIS A 77 -1.548 0.047 -14.799 1.00 0.00 N ATOM 919 CA HIS A 77 -2.197 -1.153 -14.238 1.00 0.00 C ATOM 920 C HIS A 77 -2.021 -1.182 -12.699 1.00 0.00 C ATOM 921 O HIS A 77 -2.857 -1.756 -11.995 1.00 0.00 O ATOM 922 CB HIS A 77 -1.624 -2.447 -14.877 1.00 0.00 C ATOM 923 CG HIS A 77 -2.395 -3.700 -14.535 1.00 0.00 C ATOM 924 ND1 HIS A 77 -3.388 -4.197 -15.339 1.00 0.00 N ATOM 925 CD2 HIS A 77 -2.320 -4.545 -13.474 1.00 0.00 C ATOM 926 CE1 HIS A 77 -3.891 -5.286 -14.797 1.00 0.00 C ATOM 927 NE2 HIS A 77 -3.263 -5.519 -13.662 1.00 0.00 N ATOM 0 H HIS A 77 -0.679 -0.150 -15.295 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.261 -1.109 -14.470 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.608 -2.328 -15.960 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -0.590 -2.571 -14.555 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.642 -4.463 -12.637 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.685 -5.888 -15.213 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.449 -6.297 -13.029 1.00 0.00 H new ATOM 936 N LEU A 78 -0.917 -0.581 -12.196 1.00 0.00 N ATOM 937 CA LEU A 78 -0.668 -0.438 -10.734 1.00 0.00 C ATOM 938 C LEU A 78 -1.718 0.487 -10.094 1.00 0.00 C ATOM 939 O LEU A 78 -2.101 0.295 -8.943 1.00 0.00 O ATOM 940 CB LEU A 78 0.764 0.101 -10.435 1.00 0.00 C ATOM 941 CG LEU A 78 1.953 -0.786 -10.914 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.311 -0.165 -10.519 1.00 0.00 C ATOM 943 CD2 LEU A 78 1.816 -2.237 -10.407 1.00 0.00 C ATOM 0 H LEU A 78 -0.180 -0.185 -12.780 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.749 -1.433 -10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.863 1.083 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.857 0.245 -9.359 1.00 0.00 H new ATOM 0 HG LEU A 78 1.919 -0.824 -12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.120 -0.807 -10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.407 0.820 -10.976 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.365 -0.069 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.662 -2.827 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.800 -2.242 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.889 -2.669 -10.786 1.00 0.00 H new ATOM 955 N VAL A 79 -2.168 1.483 -10.888 1.00 0.00 N ATOM 956 CA VAL A 79 -3.285 2.390 -10.534 1.00 0.00 C ATOM 957 C VAL A 79 -4.582 1.574 -10.365 1.00 0.00 C ATOM 958 O VAL A 79 -5.313 1.716 -9.373 1.00 0.00 O ATOM 959 CB VAL A 79 -3.530 3.482 -11.651 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.620 4.500 -11.225 1.00 0.00 C ATOM 961 CG2 VAL A 79 -2.214 4.193 -12.055 1.00 0.00 C ATOM 0 H VAL A 79 -1.763 1.683 -11.802 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.015 2.891 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.900 2.961 -12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.761 5.235 -12.017 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.558 3.975 -11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.308 5.007 -10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.423 4.936 -12.824 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.784 4.685 -11.183 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.508 3.459 -12.442 1.00 0.00 H new ATOM 971 N THR A 80 -4.821 0.710 -11.362 1.00 0.00 N ATOM 972 CA THR A 80 -6.034 -0.113 -11.472 1.00 0.00 C ATOM 973 C THR A 80 -6.145 -1.126 -10.319 1.00 0.00 C ATOM 974 O THR A 80 -7.188 -1.209 -9.671 1.00 0.00 O ATOM 975 CB THR A 80 -6.060 -0.856 -12.849 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.773 0.090 -13.897 1.00 0.00 O ATOM 977 CG2 THR A 80 -7.420 -1.513 -13.135 1.00 0.00 C ATOM 0 H THR A 80 -4.165 0.561 -12.128 1.00 0.00 H new ATOM 0 HA THR A 80 -6.893 0.555 -11.407 1.00 0.00 H new ATOM 0 HB THR A 80 -5.310 -1.646 -12.811 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.817 0.305 -13.891 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.385 -2.015 -14.102 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.643 -2.242 -12.356 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.197 -0.749 -13.151 1.00 0.00 H new ATOM 985 N ALA A 81 -5.046 -1.852 -10.047 1.00 0.00 N ATOM 986 CA ALA A 81 -4.992 -2.903 -9.010 1.00 0.00 C ATOM 987 C ALA A 81 -5.122 -2.300 -7.600 1.00 0.00 C ATOM 988 O ALA A 81 -5.687 -2.920 -6.698 1.00 0.00 O ATOM 989 CB ALA A 81 -3.668 -3.674 -9.125 1.00 0.00 C ATOM 0 H ALA A 81 -4.163 -1.727 -10.543 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.829 -3.583 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.630 -4.449 -8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.600 -4.134 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.833 -2.987 -8.987 1.00 0.00 H new ATOM 995 N TYR A 82 -4.567 -1.089 -7.447 1.00 0.00 N ATOM 996 CA TYR A 82 -4.610 -0.305 -6.205 1.00 0.00 C ATOM 997 C TYR A 82 -6.054 -0.004 -5.807 1.00 0.00 C ATOM 998 O TYR A 82 -6.502 -0.368 -4.725 1.00 0.00 O ATOM 999 CB TYR A 82 -3.809 0.986 -6.440 1.00 0.00 C ATOM 1000 CG TYR A 82 -3.663 1.959 -5.264 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -2.687 1.773 -4.290 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -4.423 3.128 -5.194 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -2.492 2.706 -3.303 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.197 4.072 -4.216 1.00 0.00 C ATOM 1005 CZ TYR A 82 -3.227 3.849 -3.281 1.00 0.00 C ATOM 1006 OH TYR A 82 -2.952 4.790 -2.332 1.00 0.00 O ATOM 0 H TYR A 82 -4.065 -0.618 -8.200 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.169 -0.867 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.808 0.705 -6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.276 1.525 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.075 0.883 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.204 3.296 -5.921 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.750 2.531 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.782 4.980 -4.189 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.982 4.861 -2.214 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.781 0.600 -6.749 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.177 1.011 -6.547 1.00 0.00 C ATOM 1018 C ASN A 83 -9.096 -0.221 -6.456 1.00 0.00 C ATOM 1019 O ASN A 83 -10.081 -0.197 -5.724 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.604 1.985 -7.677 1.00 0.00 C ATOM 1021 CG ASN A 83 -7.833 3.316 -7.630 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -7.527 3.834 -6.552 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.501 3.868 -8.793 1.00 0.00 N ATOM 0 H ASN A 83 -6.420 0.820 -7.677 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.269 1.542 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.441 1.509 -8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.672 2.185 -7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.979 4.744 -8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.768 3.415 -9.667 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.728 -1.316 -7.168 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.440 -2.617 -7.100 1.00 0.00 C ATOM 1032 C HIS A 84 -9.219 -3.313 -5.748 1.00 0.00 C ATOM 1033 O HIS A 84 -10.094 -4.067 -5.300 1.00 0.00 O ATOM 1034 CB HIS A 84 -8.997 -3.580 -8.247 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.531 -3.239 -9.615 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.455 -2.245 -9.849 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.271 -3.793 -10.821 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -10.738 -2.198 -11.133 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.033 -3.126 -11.743 1.00 0.00 N ATOM 0 H HIS A 84 -7.931 -1.322 -7.804 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.500 -2.391 -7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.908 -3.589 -8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.314 -4.592 -7.993 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.591 -4.608 -11.020 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.430 -1.516 -11.605 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.051 -3.318 -12.745 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.064 -3.050 -5.101 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.708 -3.670 -3.807 1.00 0.00 C ATOM 1050 C LEU A 85 -8.753 -3.304 -2.748 1.00 0.00 C ATOM 1051 O LEU A 85 -9.342 -4.167 -2.092 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.294 -3.185 -3.341 1.00 0.00 C ATOM 1053 CG LEU A 85 -5.819 -3.680 -1.936 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -5.845 -5.201 -1.861 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.427 -3.129 -1.557 1.00 0.00 C ATOM 0 H LEU A 85 -7.357 -2.407 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.686 -4.752 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.561 -3.505 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.290 -2.095 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.523 -3.285 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.511 -5.522 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.861 -5.556 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.182 -5.614 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.144 -3.502 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.693 -3.455 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.460 -2.040 -1.536 1.00 0.00 H new ATOM 1067 N PHE A 86 -8.967 -1.998 -2.636 1.00 0.00 N ATOM 1068 CA PHE A 86 -9.846 -1.394 -1.630 1.00 0.00 C ATOM 1069 C PHE A 86 -11.337 -1.595 -2.000 1.00 0.00 C ATOM 1070 O PHE A 86 -12.193 -1.733 -1.113 1.00 0.00 O ATOM 1071 CB PHE A 86 -9.497 0.105 -1.473 1.00 0.00 C ATOM 1072 CG PHE A 86 -7.985 0.414 -1.500 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.067 -0.226 -0.661 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -7.488 1.360 -2.379 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -5.711 0.090 -0.720 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.151 1.661 -2.429 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.264 1.030 -1.600 1.00 0.00 C ATOM 0 H PHE A 86 -8.528 -1.313 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.687 -1.891 -0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.984 0.664 -2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -9.912 0.466 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.412 -0.972 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.169 1.873 -3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.012 -0.411 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.795 2.403 -3.129 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.213 1.276 -1.643 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.616 -1.636 -3.323 1.00 0.00 N ATOM 1088 CA GLU A 87 -12.988 -1.680 -3.882 1.00 0.00 C ATOM 1089 C GLU A 87 -13.680 -3.026 -3.590 1.00 0.00 C ATOM 1090 O GLU A 87 -14.870 -3.057 -3.256 1.00 0.00 O ATOM 1091 CB GLU A 87 -12.947 -1.421 -5.419 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.318 -1.285 -6.121 1.00 0.00 C ATOM 1093 CD GLU A 87 -15.107 -0.031 -5.695 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -14.803 1.076 -6.192 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.023 -0.141 -4.851 1.00 0.00 O ATOM 0 H GLU A 87 -10.890 -1.640 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.570 -0.896 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.377 -0.509 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.399 -2.237 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.164 -1.258 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.916 -2.171 -5.907 1.00 0.00 H new ATOM 1102 N THR A 88 -12.928 -4.130 -3.702 1.00 0.00 N ATOM 1103 CA THR A 88 -13.455 -5.500 -3.483 1.00 0.00 C ATOM 1104 C THR A 88 -12.903 -6.122 -2.185 1.00 0.00 C ATOM 1105 O THR A 88 -13.220 -7.273 -1.864 1.00 0.00 O ATOM 1106 CB THR A 88 -13.119 -6.402 -4.715 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.717 -6.336 -4.997 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.904 -5.975 -5.967 1.00 0.00 C ATOM 0 H THR A 88 -11.938 -4.107 -3.946 1.00 0.00 H new ATOM 0 HA THR A 88 -14.537 -5.433 -3.374 1.00 0.00 H new ATOM 0 HB THR A 88 -13.407 -7.423 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.465 -5.408 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.642 -6.627 -6.801 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.973 -6.051 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.654 -4.945 -6.219 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.100 -5.329 -1.441 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.475 -5.736 -0.165 1.00 0.00 C ATOM 1118 C LYS A 89 -10.559 -6.973 -0.330 1.00 0.00 C ATOM 1119 O LYS A 89 -10.565 -7.888 0.497 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.531 -5.950 0.951 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.300 -4.674 1.365 1.00 0.00 C ATOM 1122 CD LYS A 89 -14.187 -4.899 2.611 1.00 0.00 C ATOM 1123 CE LYS A 89 -13.362 -5.311 3.851 1.00 0.00 C ATOM 1124 NZ LYS A 89 -14.211 -5.638 5.018 1.00 0.00 N ATOM 0 H LYS A 89 -11.865 -4.375 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.836 -4.910 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.249 -6.698 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.033 -6.359 1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.588 -3.874 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.923 -4.343 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.739 -3.985 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.924 -5.672 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.746 -6.175 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.683 -4.501 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.608 -5.907 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.781 -4.807 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.842 -6.429 4.778 1.00 0.00 H new ATOM 1138 N ARG A 90 -9.742 -6.943 -1.395 1.00 0.00 N ATOM 1139 CA ARG A 90 -8.759 -8.006 -1.730 1.00 0.00 C ATOM 1140 C ARG A 90 -7.598 -8.100 -0.723 1.00 0.00 C ATOM 1141 O ARG A 90 -6.759 -8.998 -0.822 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.241 -7.769 -3.167 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.241 -8.196 -4.244 1.00 0.00 C ATOM 1144 CD ARG A 90 -8.798 -7.823 -5.663 1.00 0.00 C ATOM 1145 NE ARG A 90 -9.404 -8.726 -6.653 1.00 0.00 N ATOM 1146 CZ ARG A 90 -8.713 -9.462 -7.535 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -7.414 -9.240 -7.734 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -9.324 -10.396 -8.242 1.00 0.00 N ATOM 0 H ARG A 90 -9.740 -6.172 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.268 -8.968 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.010 -6.711 -3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.310 -8.318 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.387 -9.275 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.206 -7.733 -4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.084 -6.794 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.712 -7.874 -5.735 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.421 -8.797 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.937 -8.505 -7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.897 -9.806 -8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.323 -10.558 -8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.796 -10.955 -8.913 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.549 -7.142 0.198 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.633 -7.149 1.346 1.00 0.00 C ATOM 1164 C PHE A 91 -7.120 -8.100 2.456 1.00 0.00 C ATOM 1165 O PHE A 91 -8.288 -8.511 2.482 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.434 -5.700 1.881 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.716 -4.932 2.191 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.341 -5.036 3.432 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -8.294 -4.105 1.234 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.498 -4.342 3.703 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.450 -3.413 1.508 1.00 0.00 C ATOM 1172 CZ PHE A 91 -10.053 -3.533 2.742 1.00 0.00 C ATOM 0 H PHE A 91 -8.154 -6.321 0.171 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.667 -7.527 1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.830 -5.746 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.862 -5.135 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.911 -5.671 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.829 -4.005 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.969 -4.433 4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.887 -2.774 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.963 -2.990 2.953 1.00 0.00 H new ATOM 1182 N LYS A 92 -6.190 -8.456 3.347 1.00 0.00 N ATOM 1183 CA LYS A 92 -6.446 -9.322 4.506 1.00 0.00 C ATOM 1184 C LYS A 92 -7.136 -8.503 5.623 1.00 0.00 C ATOM 1185 O LYS A 92 -8.342 -8.705 5.883 1.00 0.00 O ATOM 1186 CB LYS A 92 -5.101 -9.925 5.002 1.00 0.00 C ATOM 1187 CG LYS A 92 -5.218 -10.931 6.169 1.00 0.00 C ATOM 1188 CD LYS A 92 -3.837 -11.425 6.668 1.00 0.00 C ATOM 1189 CE LYS A 92 -3.949 -12.423 7.840 1.00 0.00 C ATOM 1190 NZ LYS A 92 -4.609 -11.817 9.033 1.00 0.00 N ATOM 1191 OXT LYS A 92 -6.480 -7.612 6.189 1.00 0.00 O ATOM 0 H LYS A 92 -5.220 -8.146 3.284 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.109 -10.140 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.614 -10.422 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.448 -9.109 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.753 -10.463 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.812 -11.787 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.305 -11.898 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.241 -10.568 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.515 -13.297 7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.954 -12.771 8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.542 -12.473 9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.136 -10.923 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.610 -11.632 8.819 1.00 0.00 H new