USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 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: A 26 LYS NZ :NH3+ 166:sc= -0.679 (180deg=-0.931) USER MOD Set 1.2: A 35 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 173:sc= 0.617 (180deg=0.023) USER MOD Set 2.2: A 21 TYR OH : rot 21:sc= -0.342 USER MOD Single : A 12 CYS SG : rot 80:sc= -1.74 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -142:sc= -2.34 (180deg=-7.26!) USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 60 ASN : amide:sc= -7.38! C(o=-7.4!,f=-14!) USER MOD Single : A 63 ASN : amide:sc= -5.63! K(o=-5.6!,f=-1) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0907 USER MOD Single : A 69 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-0.8) USER MOD Single : A 75 LYS NZ :NH3+ -112:sc= 0.00209 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0505) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -91:sc= 0.571 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -170:sc= 0 (180deg=-0.192) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.486 -8.693 -12.068 1.00 0.00 N ATOM 84 CA PRO A 9 -0.680 -7.605 -11.105 1.00 0.00 C ATOM 85 C PRO A 9 -0.287 -6.247 -11.676 1.00 0.00 C ATOM 86 O PRO A 9 0.179 -6.153 -12.812 1.00 0.00 O ATOM 87 CB PRO A 9 0.247 -7.987 -9.948 1.00 0.00 C ATOM 88 CG PRO A 9 1.301 -8.835 -10.571 1.00 0.00 C ATOM 89 CD PRO A 9 0.625 -9.581 -11.688 1.00 0.00 C ATOM 0 HA PRO A 9 -1.725 -7.499 -10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.677 -7.103 -9.477 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.292 -8.531 -9.172 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.120 -8.224 -10.950 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.728 -9.525 -9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.304 -9.756 -12.523 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.266 -10.556 -11.360 1.00 0.00 H new ATOM 97 N ARG A 10 -0.478 -5.199 -10.883 1.00 0.00 N ATOM 98 CA ARG A 10 -0.143 -3.846 -11.311 1.00 0.00 C ATOM 99 C ARG A 10 1.080 -3.325 -10.563 1.00 0.00 C ATOM 100 O ARG A 10 1.309 -3.676 -9.404 1.00 0.00 O ATOM 101 CB ARG A 10 -1.331 -2.908 -11.083 1.00 0.00 C ATOM 102 CG ARG A 10 -2.386 -2.986 -12.174 1.00 0.00 C ATOM 103 CD ARG A 10 -3.548 -2.045 -11.893 1.00 0.00 C ATOM 104 NE ARG A 10 -3.208 -0.655 -12.181 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.091 0.337 -12.163 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.361 0.092 -11.871 1.00 0.00 N ATOM 107 NH2 ARG A 10 -3.705 1.577 -12.437 1.00 0.00 N ATOM 0 H ARG A 10 -0.863 -5.260 -9.940 1.00 0.00 H new ATOM 0 HA ARG A 10 0.090 -3.876 -12.375 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.793 -3.147 -10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.966 -1.883 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.937 -2.735 -13.135 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.755 -4.009 -12.252 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.407 -2.340 -12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.844 -2.137 -10.848 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.239 -0.433 -12.409 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.661 -0.860 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.038 0.855 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.729 1.769 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.385 2.338 -12.423 1.00 0.00 H new ATOM 121 N LEU A 11 1.865 -2.488 -11.232 1.00 0.00 N ATOM 122 CA LEU A 11 3.066 -1.919 -10.631 1.00 0.00 C ATOM 123 C LEU A 11 2.821 -0.483 -10.179 1.00 0.00 C ATOM 124 O LEU A 11 2.520 0.392 -10.992 1.00 0.00 O ATOM 125 CB LEU A 11 4.227 -1.961 -11.626 1.00 0.00 C ATOM 126 CG LEU A 11 5.591 -1.529 -11.086 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.549 -0.079 -10.630 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.023 -2.437 -9.944 1.00 0.00 C ATOM 0 H LEU A 11 1.691 -2.188 -12.191 1.00 0.00 H new ATOM 0 HA LEU A 11 3.323 -2.517 -9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.315 -2.978 -12.007 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.976 -1.323 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 11 6.323 -1.615 -11.889 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.528 0.211 -10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.284 0.560 -11.472 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.805 0.033 -9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.996 -2.115 -9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.290 -2.383 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.093 -3.464 -10.302 1.00 0.00 H new ATOM 140 N CYS A 12 2.954 -0.247 -8.879 1.00 0.00 N ATOM 141 CA CYS A 12 2.748 1.084 -8.318 1.00 0.00 C ATOM 142 C CYS A 12 4.078 1.719 -7.924 1.00 0.00 C ATOM 143 O CYS A 12 4.715 1.301 -6.958 1.00 0.00 O ATOM 144 CB CYS A 12 1.824 1.011 -7.102 1.00 0.00 C ATOM 145 SG CYS A 12 0.187 0.331 -7.459 1.00 0.00 S ATOM 0 H CYS A 12 3.204 -0.960 -8.193 1.00 0.00 H new ATOM 0 HA CYS A 12 2.281 1.705 -9.082 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.299 0.401 -6.334 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.707 2.012 -6.687 1.00 0.00 H new ATOM 0 HG CYS A 12 0.257 -0.966 -7.508 1.00 0.00 H new ATOM 151 N TYR A 13 4.491 2.731 -8.680 1.00 0.00 N ATOM 152 CA TYR A 13 5.747 3.421 -8.412 1.00 0.00 C ATOM 153 C TYR A 13 5.515 4.659 -7.551 1.00 0.00 C ATOM 154 O TYR A 13 5.031 5.684 -8.034 1.00 0.00 O ATOM 155 CB TYR A 13 6.424 3.819 -9.725 1.00 0.00 C ATOM 156 CG TYR A 13 7.934 3.763 -9.668 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.615 2.578 -9.919 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.680 4.895 -9.363 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.994 2.522 -9.867 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.060 4.848 -9.311 1.00 0.00 C ATOM 161 CZ TYR A 13 10.712 3.660 -9.564 1.00 0.00 C ATOM 162 OH TYR A 13 12.086 3.609 -9.511 1.00 0.00 O ATOM 0 H TYR A 13 3.974 3.091 -9.482 1.00 0.00 H new ATOM 0 HA TYR A 13 6.399 2.738 -7.867 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.074 3.160 -10.519 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.116 4.830 -9.991 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.056 1.685 -10.159 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.173 5.827 -9.163 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.507 1.592 -10.063 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.625 5.737 -9.073 1.00 0.00 H new ATOM 0 HH TYR A 13 12.438 4.496 -9.286 1.00 0.00 H new ATOM 172 N LEU A 14 5.865 4.557 -6.274 1.00 0.00 N ATOM 173 CA LEU A 14 5.697 5.668 -5.343 1.00 0.00 C ATOM 174 C LEU A 14 6.895 6.611 -5.399 1.00 0.00 C ATOM 175 O LEU A 14 8.041 6.171 -5.491 1.00 0.00 O ATOM 176 CB LEU A 14 5.512 5.143 -3.919 1.00 0.00 C ATOM 177 CG LEU A 14 4.070 4.883 -3.481 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.474 6.129 -2.845 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.227 4.429 -4.663 1.00 0.00 C ATOM 0 H LEU A 14 6.267 3.716 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 14 4.807 6.224 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.074 4.214 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.957 5.860 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 14 4.074 4.086 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.448 5.926 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.064 6.410 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.483 6.946 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.204 4.249 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.229 5.203 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.643 3.509 -5.074 1.00 0.00 H new ATOM 191 N VAL A 15 6.622 7.911 -5.339 1.00 0.00 N ATOM 192 CA VAL A 15 7.677 8.916 -5.378 1.00 0.00 C ATOM 193 C VAL A 15 7.562 9.880 -4.203 1.00 0.00 C ATOM 194 O VAL A 15 6.520 10.503 -3.996 1.00 0.00 O ATOM 195 CB VAL A 15 7.638 9.719 -6.692 1.00 0.00 C ATOM 196 CG1 VAL A 15 8.737 10.770 -6.708 1.00 0.00 C ATOM 197 CG2 VAL A 15 7.762 8.788 -7.889 1.00 0.00 C ATOM 0 H VAL A 15 5.679 8.292 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 15 8.625 8.382 -5.314 1.00 0.00 H new ATOM 0 HB VAL A 15 6.678 10.231 -6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.694 11.327 -7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.598 11.455 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.708 10.282 -6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.733 9.372 -8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.707 8.247 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.936 8.077 -7.884 1.00 0.00 H new ATOM 207 N LYS A 16 8.640 9.999 -3.435 1.00 0.00 N ATOM 208 CA LYS A 16 8.662 10.889 -2.280 1.00 0.00 C ATOM 209 C LYS A 16 8.467 12.340 -2.707 1.00 0.00 C ATOM 210 O LYS A 16 9.435 13.071 -2.913 1.00 0.00 O ATOM 211 CB LYS A 16 9.984 10.742 -1.523 1.00 0.00 C ATOM 212 CG LYS A 16 9.952 9.674 -0.444 1.00 0.00 C ATOM 213 CD LYS A 16 11.199 9.720 0.424 1.00 0.00 C ATOM 214 CE LYS A 16 11.172 8.641 1.495 1.00 0.00 C ATOM 215 NZ LYS A 16 11.247 7.274 0.907 1.00 0.00 N ATOM 0 H LYS A 16 9.510 9.490 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 16 7.840 10.609 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.775 10.505 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.241 11.699 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.069 9.812 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.866 8.691 -0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.083 9.592 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.280 10.700 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.007 8.788 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.258 8.734 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.345 6.573 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.379 7.080 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.069 7.214 0.273 1.00 0.00 H new ATOM 229 N GLU A 17 7.209 12.750 -2.837 1.00 0.00 N ATOM 230 CA GLU A 17 6.889 14.115 -3.239 1.00 0.00 C ATOM 231 C GLU A 17 6.585 14.983 -2.022 1.00 0.00 C ATOM 232 O GLU A 17 7.246 15.994 -1.787 1.00 0.00 O ATOM 233 CB GLU A 17 5.694 14.121 -4.195 1.00 0.00 C ATOM 234 CG GLU A 17 6.008 13.547 -5.566 1.00 0.00 C ATOM 235 CD GLU A 17 6.693 14.549 -6.475 1.00 0.00 C ATOM 236 OE1 GLU A 17 7.634 15.225 -6.009 1.00 0.00 O ATOM 237 OE2 GLU A 17 6.289 14.657 -7.651 1.00 0.00 O ATOM 0 H GLU A 17 6.396 12.157 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 17 7.757 14.529 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.880 13.550 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.338 15.145 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.646 12.671 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.084 13.209 -6.035 1.00 0.00 H new ATOM 244 N GLY A 18 5.579 14.581 -1.251 1.00 0.00 N ATOM 245 CA GLY A 18 5.204 15.334 -0.068 1.00 0.00 C ATOM 246 C GLY A 18 5.269 14.498 1.195 1.00 0.00 C ATOM 247 O GLY A 18 4.656 13.435 1.276 1.00 0.00 O ATOM 0 H GLY A 18 5.017 13.748 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.864 16.195 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.193 15.721 -0.193 1.00 0.00 H new ATOM 251 N GLY A 19 6.015 14.980 2.184 1.00 0.00 N ATOM 252 CA GLY A 19 6.146 14.257 3.435 1.00 0.00 C ATOM 253 C GLY A 19 6.778 12.892 3.252 1.00 0.00 C ATOM 254 O GLY A 19 7.937 12.785 2.853 1.00 0.00 O ATOM 0 H GLY A 19 6.531 15.859 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.749 14.843 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.162 14.140 3.889 1.00 0.00 H new ATOM 258 N SER A 20 6.015 11.844 3.547 1.00 0.00 N ATOM 259 CA SER A 20 6.509 10.478 3.418 1.00 0.00 C ATOM 260 C SER A 20 5.901 9.793 2.198 1.00 0.00 C ATOM 261 O SER A 20 6.594 9.514 1.219 1.00 0.00 O ATOM 262 CB SER A 20 6.188 9.676 4.681 1.00 0.00 C ATOM 263 OG SER A 20 7.127 8.632 4.875 1.00 0.00 O ATOM 0 H SER A 20 5.052 11.915 3.877 1.00 0.00 H new ATOM 0 HA SER A 20 7.590 10.520 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.192 10.338 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.185 9.257 4.604 1.00 0.00 H new ATOM 0 HG SER A 20 6.901 8.136 5.689 1.00 0.00 H new ATOM 269 N TYR A 21 4.602 9.525 2.264 1.00 0.00 N ATOM 270 CA TYR A 21 3.900 8.870 1.167 1.00 0.00 C ATOM 271 C TYR A 21 2.389 8.986 1.341 1.00 0.00 C ATOM 272 O TYR A 21 1.907 9.630 2.272 1.00 0.00 O ATOM 273 CB TYR A 21 4.303 7.397 1.082 1.00 0.00 C ATOM 274 CG TYR A 21 5.649 7.175 0.430 1.00 0.00 C ATOM 275 CD1 TYR A 21 5.838 7.427 -0.924 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.732 6.712 1.167 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.065 7.224 -1.524 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.964 6.508 0.576 1.00 0.00 C ATOM 279 CZ TYR A 21 8.126 6.765 -0.770 1.00 0.00 C ATOM 280 OH TYR A 21 9.351 6.562 -1.363 1.00 0.00 O ATOM 0 H TYR A 21 4.014 9.751 3.066 1.00 0.00 H new ATOM 0 HA TYR A 21 4.181 9.370 0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.321 6.975 2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.543 6.853 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.011 7.788 -1.517 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.609 6.508 2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.194 7.423 -2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.796 6.149 1.164 1.00 0.00 H new ATOM 0 HH TYR A 21 9.404 7.083 -2.192 1.00 0.00 H new ATOM 290 N GLY A 22 1.645 8.357 0.436 1.00 0.00 N ATOM 291 CA GLY A 22 0.196 8.400 0.506 1.00 0.00 C ATOM 292 C GLY A 22 -0.411 7.042 0.798 1.00 0.00 C ATOM 293 O GLY A 22 -1.545 6.764 0.407 1.00 0.00 O ATOM 0 H GLY A 22 2.020 7.818 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.106 9.104 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.199 8.776 -0.438 1.00 0.00 H new ATOM 297 N PHE A 23 0.345 6.193 1.485 1.00 0.00 N ATOM 298 CA PHE A 23 -0.124 4.855 1.826 1.00 0.00 C ATOM 299 C PHE A 23 0.265 4.490 3.256 1.00 0.00 C ATOM 300 O PHE A 23 1.292 4.940 3.765 1.00 0.00 O ATOM 301 CB PHE A 23 0.451 3.825 0.851 1.00 0.00 C ATOM 302 CG PHE A 23 1.945 3.699 0.925 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.762 4.535 0.181 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.534 2.745 1.739 1.00 0.00 C ATOM 305 CE1 PHE A 23 4.138 4.420 0.247 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.909 2.626 1.810 1.00 0.00 C ATOM 307 CZ PHE A 23 4.712 3.465 1.063 1.00 0.00 C ATOM 0 H PHE A 23 1.285 6.407 1.817 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.211 4.849 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.002 2.853 1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.167 4.100 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.319 5.285 -0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.911 2.086 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.764 5.077 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.355 1.878 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.787 3.375 1.117 1.00 0.00 H new ATOM 317 N SER A 24 -0.564 3.673 3.898 1.00 0.00 N ATOM 318 CA SER A 24 -0.310 3.250 5.271 1.00 0.00 C ATOM 319 C SER A 24 -0.186 1.732 5.358 1.00 0.00 C ATOM 320 O SER A 24 -0.857 1.000 4.629 1.00 0.00 O ATOM 321 CB SER A 24 -1.430 3.736 6.192 1.00 0.00 C ATOM 322 OG SER A 24 -1.362 5.139 6.383 1.00 0.00 O ATOM 0 H SER A 24 -1.417 3.291 3.490 1.00 0.00 H new ATOM 0 HA SER A 24 0.633 3.693 5.593 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.397 3.471 5.765 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.358 3.231 7.155 1.00 0.00 H new ATOM 0 HG SER A 24 -2.090 5.424 6.974 1.00 0.00 H new ATOM 328 N LEU A 25 0.676 1.266 6.255 1.00 0.00 N ATOM 329 CA LEU A 25 0.889 -0.166 6.439 1.00 0.00 C ATOM 330 C LEU A 25 0.414 -0.614 7.817 1.00 0.00 C ATOM 331 O LEU A 25 0.639 0.070 8.816 1.00 0.00 O ATOM 332 CB LEU A 25 2.369 -0.508 6.260 1.00 0.00 C ATOM 333 CG LEU A 25 3.029 0.013 4.983 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.543 -0.103 5.079 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.510 -0.742 3.768 1.00 0.00 C ATOM 0 H LEU A 25 1.239 1.858 6.866 1.00 0.00 H new ATOM 0 HA LEU A 25 0.307 -0.695 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.918 -0.114 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.476 -1.592 6.284 1.00 0.00 H new ATOM 0 HG LEU A 25 2.773 1.066 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.996 0.272 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.900 0.483 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.820 -1.148 5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.991 -0.358 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.736 -1.803 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.431 -0.607 3.689 1.00 0.00 H new ATOM 347 N LYS A 26 -0.242 -1.768 7.865 1.00 0.00 N ATOM 348 CA LYS A 26 -0.746 -2.311 9.121 1.00 0.00 C ATOM 349 C LYS A 26 -0.931 -3.822 9.025 1.00 0.00 C ATOM 350 O LYS A 26 -1.501 -4.329 8.058 1.00 0.00 O ATOM 351 CB LYS A 26 -2.074 -1.647 9.491 1.00 0.00 C ATOM 352 CG LYS A 26 -3.284 -2.308 8.853 1.00 0.00 C ATOM 353 CD LYS A 26 -4.582 -1.707 9.364 1.00 0.00 C ATOM 354 CE LYS A 26 -5.779 -2.571 8.997 1.00 0.00 C ATOM 355 NZ LYS A 26 -5.651 -3.954 9.536 1.00 0.00 N ATOM 0 H LYS A 26 -0.437 -2.346 7.048 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.012 -2.101 9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.190 -1.665 10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.043 -0.599 9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.232 -2.196 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.269 -3.377 9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.531 -1.595 10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.711 -0.708 8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.689 -2.113 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.879 -2.612 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.570 -4.437 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.947 -4.480 8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.347 -3.913 10.530 1.00 0.00 H new ATOM 369 N THR A 27 -0.446 -4.538 10.035 1.00 0.00 N ATOM 370 CA THR A 27 -0.558 -5.991 10.065 1.00 0.00 C ATOM 371 C THR A 27 -1.978 -6.426 10.406 1.00 0.00 C ATOM 372 O THR A 27 -2.682 -5.751 11.158 1.00 0.00 O ATOM 373 CB THR A 27 0.415 -6.608 11.087 1.00 0.00 C ATOM 374 OG1 THR A 27 0.071 -6.182 12.410 1.00 0.00 O ATOM 375 CG2 THR A 27 1.850 -6.209 10.778 1.00 0.00 C ATOM 0 H THR A 27 0.028 -4.135 10.843 1.00 0.00 H new ATOM 0 HA THR A 27 -0.301 -6.348 9.068 1.00 0.00 H new ATOM 0 HB THR A 27 0.334 -7.693 11.022 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.693 -6.580 13.054 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.519 -6.657 11.513 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.119 -6.560 9.782 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.942 -5.124 10.817 1.00 0.00 H new ATOM 383 N VAL A 28 -2.395 -7.558 9.848 1.00 0.00 N ATOM 384 CA VAL A 28 -3.733 -8.085 10.095 1.00 0.00 C ATOM 385 C VAL A 28 -3.672 -9.395 10.872 1.00 0.00 C ATOM 386 O VAL A 28 -2.984 -10.334 10.472 1.00 0.00 O ATOM 387 CB VAL A 28 -4.496 -8.316 8.778 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.274 -7.069 8.385 1.00 0.00 C ATOM 389 CG2 VAL A 28 -3.537 -8.727 7.671 1.00 0.00 C ATOM 0 H VAL A 28 -1.826 -8.128 9.222 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.264 -7.339 10.687 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.209 -9.127 8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.807 -7.252 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.990 -6.824 9.170 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.583 -6.236 8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.094 -8.886 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.799 -7.940 7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.030 -9.650 7.953 1.00 0.00 H new ATOM 467 N GLY A 33 1.919 -11.285 6.327 1.00 0.00 N ATOM 468 CA GLY A 33 2.332 -10.183 5.478 1.00 0.00 C ATOM 469 C GLY A 33 1.514 -8.930 5.716 1.00 0.00 C ATOM 470 O GLY A 33 0.507 -8.962 6.423 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.385 -9.965 5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.241 -10.480 4.433 1.00 0.00 H new ATOM 474 N VAL A 34 1.949 -7.820 5.126 1.00 0.00 N ATOM 475 CA VAL A 34 1.250 -6.550 5.278 1.00 0.00 C ATOM 476 C VAL A 34 0.628 -6.103 3.960 1.00 0.00 C ATOM 477 O VAL A 34 0.942 -6.644 2.899 1.00 0.00 O ATOM 478 CB VAL A 34 2.197 -5.446 5.786 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.517 -5.653 7.258 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.471 -5.413 4.954 1.00 0.00 C ATOM 0 H VAL A 34 2.782 -7.775 4.539 1.00 0.00 H new ATOM 0 HA VAL A 34 0.461 -6.709 6.013 1.00 0.00 H new ATOM 0 HB VAL A 34 1.696 -4.484 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.187 -4.864 7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.595 -5.622 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.999 -6.621 7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.129 -4.627 5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.978 -6.375 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.220 -5.213 3.912 1.00 0.00 H new ATOM 490 N TYR A 35 -0.254 -5.113 4.033 1.00 0.00 N ATOM 491 CA TYR A 35 -0.922 -4.595 2.846 1.00 0.00 C ATOM 492 C TYR A 35 -1.416 -3.170 3.077 1.00 0.00 C ATOM 493 O TYR A 35 -1.777 -2.800 4.194 1.00 0.00 O ATOM 494 CB TYR A 35 -2.095 -5.497 2.460 1.00 0.00 C ATOM 495 CG TYR A 35 -3.261 -5.417 3.419 1.00 0.00 C ATOM 496 CD1 TYR A 35 -4.087 -4.301 3.449 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.537 -6.460 4.296 1.00 0.00 C ATOM 498 CE1 TYR A 35 -5.153 -4.224 4.324 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.602 -6.392 5.174 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.407 -5.272 5.185 1.00 0.00 C ATOM 501 OH TYR A 35 -6.468 -5.199 6.057 1.00 0.00 O ATOM 0 H TYR A 35 -0.523 -4.653 4.903 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.199 -4.582 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.438 -5.226 1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.748 -6.529 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.892 -3.479 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.908 -7.338 4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.785 -3.348 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.803 -7.212 5.848 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.004 -6.017 5.989 1.00 0.00 H new ATOM 511 N MET A 36 -1.430 -2.375 2.012 1.00 0.00 N ATOM 512 CA MET A 36 -1.882 -0.991 2.097 1.00 0.00 C ATOM 513 C MET A 36 -3.319 -0.919 2.605 1.00 0.00 C ATOM 514 O MET A 36 -4.235 -1.461 1.987 1.00 0.00 O ATOM 515 CB MET A 36 -1.777 -0.313 0.730 1.00 0.00 C ATOM 516 CG MET A 36 -0.437 -0.531 0.045 1.00 0.00 C ATOM 517 SD MET A 36 0.955 0.013 1.053 1.00 0.00 S ATOM 518 CE MET A 36 2.227 0.191 -0.195 1.00 0.00 C ATOM 0 H MET A 36 -1.134 -2.665 1.080 1.00 0.00 H new ATOM 0 HA MET A 36 -1.239 -0.467 2.804 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.571 -0.689 0.085 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.944 0.757 0.851 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.320 -1.589 -0.188 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.426 0.007 -0.903 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.183 -0.142 0.210 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.971 -0.414 -1.065 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.303 1.237 -0.490 1.00 0.00 H new ATOM 528 N THR A 37 -3.509 -0.245 3.735 1.00 0.00 N ATOM 529 CA THR A 37 -4.833 -0.102 4.326 1.00 0.00 C ATOM 530 C THR A 37 -5.414 1.280 4.049 1.00 0.00 C ATOM 531 O THR A 37 -6.583 1.412 3.688 1.00 0.00 O ATOM 532 CB THR A 37 -4.797 -0.336 5.848 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.118 -0.231 6.391 1.00 0.00 O ATOM 534 CG2 THR A 37 -3.883 0.671 6.529 1.00 0.00 C ATOM 0 H THR A 37 -2.762 0.211 4.259 1.00 0.00 H new ATOM 0 HA THR A 37 -5.468 -0.858 3.864 1.00 0.00 H new ATOM 0 HB THR A 37 -4.408 -1.338 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.063 -0.063 7.355 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.874 0.486 7.603 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.872 0.570 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.247 1.680 6.338 1.00 0.00 H new ATOM 542 N ASP A 38 -4.589 2.307 4.219 1.00 0.00 N ATOM 543 CA ASP A 38 -5.020 3.681 3.986 1.00 0.00 C ATOM 544 C ASP A 38 -4.252 4.301 2.823 1.00 0.00 C ATOM 545 O ASP A 38 -3.035 4.475 2.893 1.00 0.00 O ATOM 546 CB ASP A 38 -4.825 4.521 5.249 1.00 0.00 C ATOM 547 CG ASP A 38 -5.714 5.748 5.271 1.00 0.00 C ATOM 548 OD1 ASP A 38 -6.823 5.687 4.701 1.00 0.00 O ATOM 549 OD2 ASP A 38 -5.301 6.771 5.858 1.00 0.00 O ATOM 0 H ASP A 38 -3.618 2.214 4.517 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.080 3.665 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.035 3.908 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.782 4.830 5.319 1.00 0.00 H new ATOM 554 N ILE A 39 -4.971 4.631 1.755 1.00 0.00 N ATOM 555 CA ILE A 39 -4.357 5.232 0.578 1.00 0.00 C ATOM 556 C ILE A 39 -4.738 6.703 0.449 1.00 0.00 C ATOM 557 O ILE A 39 -5.719 7.046 -0.212 1.00 0.00 O ATOM 558 CB ILE A 39 -4.765 4.492 -0.710 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.354 3.021 -0.631 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.139 5.159 -1.925 1.00 0.00 C ATOM 561 CD1 ILE A 39 -2.868 2.819 -0.431 1.00 0.00 C ATOM 0 H ILE A 39 -5.979 4.492 1.681 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.278 5.149 0.708 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.849 4.541 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.891 2.546 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.661 2.517 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.437 4.625 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.478 6.193 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.053 5.138 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.649 1.752 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.325 3.265 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.558 3.294 0.500 1.00 0.00 H new ATOM 573 N THR A 40 -3.955 7.570 1.083 1.00 0.00 N ATOM 574 CA THR A 40 -4.209 9.004 1.039 1.00 0.00 C ATOM 575 C THR A 40 -4.796 9.417 -0.305 1.00 0.00 C ATOM 576 O THR A 40 -4.343 8.987 -1.366 1.00 0.00 O ATOM 577 CB THR A 40 -2.922 9.811 1.294 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.344 9.428 2.547 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.212 11.304 1.300 1.00 0.00 C ATOM 0 H THR A 40 -3.139 7.303 1.634 1.00 0.00 H new ATOM 0 HA THR A 40 -4.928 9.222 1.829 1.00 0.00 H new ATOM 0 HB THR A 40 -2.219 9.596 0.489 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.525 9.944 2.701 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.288 11.853 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.625 11.598 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.931 11.532 2.087 1.00 0.00 H new ATOM 587 N PRO A 41 -5.829 10.272 -0.263 1.00 0.00 N ATOM 588 CA PRO A 41 -6.500 10.763 -1.471 1.00 0.00 C ATOM 589 C PRO A 41 -5.620 11.713 -2.277 1.00 0.00 C ATOM 590 O PRO A 41 -4.765 12.403 -1.722 1.00 0.00 O ATOM 591 CB PRO A 41 -7.722 11.504 -0.922 1.00 0.00 C ATOM 592 CG PRO A 41 -7.330 11.910 0.457 1.00 0.00 C ATOM 593 CD PRO A 41 -6.421 10.826 0.966 1.00 0.00 C ATOM 0 HA PRO A 41 -6.748 9.953 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.968 12.371 -1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.603 10.862 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.822 12.874 0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.206 12.016 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.658 11.223 1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.972 10.068 1.523 1.00 0.00 H new ATOM 601 N GLN A 42 -5.836 11.742 -3.588 1.00 0.00 N ATOM 602 CA GLN A 42 -5.061 12.607 -4.470 1.00 0.00 C ATOM 603 C GLN A 42 -3.628 12.751 -3.970 1.00 0.00 C ATOM 604 O GLN A 42 -3.052 13.838 -4.010 1.00 0.00 O ATOM 605 CB GLN A 42 -5.718 13.984 -4.575 1.00 0.00 C ATOM 606 CG GLN A 42 -7.017 13.980 -5.366 1.00 0.00 C ATOM 607 CD GLN A 42 -7.623 15.363 -5.499 1.00 0.00 C ATOM 608 OE1 GLN A 42 -7.172 16.176 -6.306 1.00 0.00 O ATOM 609 NE2 GLN A 42 -8.652 15.637 -4.706 1.00 0.00 N ATOM 0 H GLN A 42 -6.540 11.177 -4.063 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.037 12.148 -5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.915 14.361 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.019 14.676 -5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.832 13.571 -6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.733 13.319 -4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.993 14.933 -4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.101 16.552 -4.751 1.00 0.00 H new ATOM 618 N GLY A 43 -3.057 11.647 -3.497 1.00 0.00 N ATOM 619 CA GLY A 43 -1.696 11.673 -2.995 1.00 0.00 C ATOM 620 C GLY A 43 -0.734 10.911 -3.885 1.00 0.00 C ATOM 621 O GLY A 43 -1.105 10.461 -4.969 1.00 0.00 O ATOM 0 H GLY A 43 -3.513 10.736 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.364 12.708 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.674 11.246 -1.992 1.00 0.00 H new ATOM 625 N VAL A 44 0.506 10.767 -3.429 1.00 0.00 N ATOM 626 CA VAL A 44 1.524 10.055 -4.192 1.00 0.00 C ATOM 627 C VAL A 44 1.071 8.638 -4.522 1.00 0.00 C ATOM 628 O VAL A 44 1.330 8.131 -5.614 1.00 0.00 O ATOM 629 CB VAL A 44 2.858 9.991 -3.426 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.884 9.183 -4.205 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.376 11.393 -3.141 1.00 0.00 C ATOM 0 H VAL A 44 0.830 11.134 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 44 1.673 10.611 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 44 2.686 9.491 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.820 9.149 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.513 8.169 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.056 9.651 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.320 11.329 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.533 11.921 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.647 11.935 -2.538 1.00 0.00 H new ATOM 641 N ALA A 45 0.394 8.002 -3.572 1.00 0.00 N ATOM 642 CA ALA A 45 -0.097 6.643 -3.762 1.00 0.00 C ATOM 643 C ALA A 45 -1.231 6.606 -4.781 1.00 0.00 C ATOM 644 O ALA A 45 -1.075 6.072 -5.879 1.00 0.00 O ATOM 645 CB ALA A 45 -0.557 6.057 -2.436 1.00 0.00 C ATOM 0 H ALA A 45 0.173 8.407 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 45 0.723 6.038 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.921 5.042 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.279 6.038 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.359 6.670 -2.026 1.00 0.00 H new ATOM 651 N MET A 46 -2.372 7.178 -4.410 1.00 0.00 N ATOM 652 CA MET A 46 -3.532 7.211 -5.293 1.00 0.00 C ATOM 653 C MET A 46 -3.132 7.639 -6.701 1.00 0.00 C ATOM 654 O MET A 46 -3.765 7.249 -7.682 1.00 0.00 O ATOM 655 CB MET A 46 -4.594 8.163 -4.740 1.00 0.00 C ATOM 656 CG MET A 46 -5.972 7.955 -5.347 1.00 0.00 C ATOM 657 SD MET A 46 -6.574 6.269 -5.141 1.00 0.00 S ATOM 658 CE MET A 46 -7.647 6.463 -3.719 1.00 0.00 C ATOM 0 H MET A 46 -2.518 7.625 -3.505 1.00 0.00 H new ATOM 0 HA MET A 46 -3.948 6.205 -5.343 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.659 8.034 -3.660 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.278 9.191 -4.920 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.676 8.647 -4.885 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.937 8.197 -6.409 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.096 5.502 -3.468 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.065 6.825 -2.871 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.434 7.181 -3.952 1.00 0.00 H new ATOM 668 N ARG A 47 -2.078 8.444 -6.793 1.00 0.00 N ATOM 669 CA ARG A 47 -1.595 8.926 -8.081 1.00 0.00 C ATOM 670 C ARG A 47 -0.807 7.840 -8.808 1.00 0.00 C ATOM 671 O ARG A 47 -0.886 7.715 -10.030 1.00 0.00 O ATOM 672 CB ARG A 47 -0.717 10.165 -7.889 1.00 0.00 C ATOM 673 CG ARG A 47 -1.509 11.451 -7.715 1.00 0.00 C ATOM 674 CD ARG A 47 -1.948 12.020 -9.055 1.00 0.00 C ATOM 675 NE ARG A 47 -0.831 12.602 -9.795 1.00 0.00 N ATOM 676 CZ ARG A 47 -0.983 13.442 -10.813 1.00 0.00 C ATOM 677 NH1 ARG A 47 -2.197 13.798 -11.209 1.00 0.00 N ATOM 678 NH2 ARG A 47 0.083 13.930 -11.436 1.00 0.00 N ATOM 0 H ARG A 47 -1.543 8.776 -5.991 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.460 9.192 -8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.082 10.018 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.056 10.269 -8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.385 11.259 -7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.901 12.186 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.406 11.231 -9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.711 12.781 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 47 0.117 12.350 -9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.018 13.427 -10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.310 14.443 -11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.019 13.660 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.034 14.575 -12.218 1.00 0.00 H new ATOM 692 N ALA A 48 -0.048 7.057 -8.048 1.00 0.00 N ATOM 693 CA ALA A 48 0.752 5.981 -8.619 1.00 0.00 C ATOM 694 C ALA A 48 -0.136 4.881 -9.191 1.00 0.00 C ATOM 695 O ALA A 48 0.263 4.160 -10.104 1.00 0.00 O ATOM 696 CB ALA A 48 1.693 5.409 -7.570 1.00 0.00 C ATOM 0 H ALA A 48 0.029 7.148 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 48 1.344 6.396 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.284 4.606 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.358 6.194 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.112 5.016 -6.736 1.00 0.00 H new ATOM 702 N GLY A 49 -1.344 4.759 -8.648 1.00 0.00 N ATOM 703 CA GLY A 49 -2.269 3.744 -9.117 1.00 0.00 C ATOM 704 C GLY A 49 -2.397 2.584 -8.149 1.00 0.00 C ATOM 705 O GLY A 49 -2.597 1.441 -8.560 1.00 0.00 O ATOM 0 H GLY A 49 -1.698 5.345 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.250 4.194 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.934 3.370 -10.085 1.00 0.00 H new ATOM 709 N VAL A 50 -2.279 2.878 -6.857 1.00 0.00 N ATOM 710 CA VAL A 50 -2.383 1.851 -5.828 1.00 0.00 C ATOM 711 C VAL A 50 -3.710 1.949 -5.085 1.00 0.00 C ATOM 712 O VAL A 50 -4.077 3.013 -4.585 1.00 0.00 O ATOM 713 CB VAL A 50 -1.229 1.956 -4.812 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.124 3.373 -4.269 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.422 0.956 -3.682 1.00 0.00 C ATOM 0 H VAL A 50 -2.111 3.818 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.325 0.888 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.296 1.718 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.304 3.428 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.936 4.064 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.057 3.643 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.598 1.044 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.363 1.161 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.443 -0.054 -4.090 1.00 0.00 H new ATOM 725 N LEU A 51 -4.427 0.833 -5.015 1.00 0.00 N ATOM 726 CA LEU A 51 -5.715 0.792 -4.332 1.00 0.00 C ATOM 727 C LEU A 51 -5.548 0.359 -2.879 1.00 0.00 C ATOM 728 O LEU A 51 -4.550 -0.265 -2.518 1.00 0.00 O ATOM 729 CB LEU A 51 -6.668 -0.163 -5.055 1.00 0.00 C ATOM 730 CG LEU A 51 -7.345 0.387 -6.310 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.660 -0.739 -7.283 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.611 1.147 -5.944 1.00 0.00 C ATOM 0 H LEU A 51 -4.138 -0.056 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.138 1.797 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.113 -1.060 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.443 -0.471 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.658 1.079 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.142 -0.329 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.736 -1.240 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.328 -1.456 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.079 1.531 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.303 0.477 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.359 1.978 -5.285 1.00 0.00 H new ATOM 744 N ALA A 52 -6.532 0.692 -2.051 1.00 0.00 N ATOM 745 CA ALA A 52 -6.496 0.334 -0.639 1.00 0.00 C ATOM 746 C ALA A 52 -6.764 -1.155 -0.442 1.00 0.00 C ATOM 747 O ALA A 52 -7.251 -1.832 -1.348 1.00 0.00 O ATOM 748 CB ALA A 52 -7.507 1.161 0.142 1.00 0.00 C ATOM 0 H ALA A 52 -7.364 1.209 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.497 0.550 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.469 0.883 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.269 2.220 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.508 0.974 -0.247 1.00 0.00 H new ATOM 754 N ASP A 53 -6.442 -1.658 0.744 1.00 0.00 N ATOM 755 CA ASP A 53 -6.648 -3.066 1.059 1.00 0.00 C ATOM 756 C ASP A 53 -6.012 -3.959 -0.001 1.00 0.00 C ATOM 757 O ASP A 53 -6.478 -5.071 -0.252 1.00 0.00 O ATOM 758 CB ASP A 53 -8.143 -3.373 1.171 1.00 0.00 C ATOM 759 CG ASP A 53 -8.791 -2.670 2.348 1.00 0.00 C ATOM 760 OD1 ASP A 53 -9.018 -1.446 2.255 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.070 -3.344 3.362 1.00 0.00 O ATOM 0 H ASP A 53 -6.037 -1.111 1.504 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.170 -3.272 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.643 -3.071 0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.284 -4.449 1.272 1.00 0.00 H new ATOM 766 N ASP A 54 -4.946 -3.465 -0.621 1.00 0.00 N ATOM 767 CA ASP A 54 -4.245 -4.218 -1.655 1.00 0.00 C ATOM 768 C ASP A 54 -3.093 -5.019 -1.057 1.00 0.00 C ATOM 769 O ASP A 54 -2.099 -4.452 -0.602 1.00 0.00 O ATOM 770 CB ASP A 54 -3.718 -3.272 -2.735 1.00 0.00 C ATOM 771 CG ASP A 54 -4.774 -2.925 -3.767 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.963 -2.852 -3.395 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.410 -2.729 -4.946 1.00 0.00 O ATOM 0 H ASP A 54 -4.548 -2.546 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.952 -4.914 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.357 -2.356 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.865 -3.733 -3.233 1.00 0.00 H new ATOM 778 N HIS A 55 -3.234 -6.341 -1.061 1.00 0.00 N ATOM 779 CA HIS A 55 -2.205 -7.221 -0.518 1.00 0.00 C ATOM 780 C HIS A 55 -0.847 -6.921 -1.145 1.00 0.00 C ATOM 781 O HIS A 55 -0.650 -7.113 -2.346 1.00 0.00 O ATOM 782 CB HIS A 55 -2.577 -8.684 -0.757 1.00 0.00 C ATOM 783 CG HIS A 55 -1.651 -9.655 -0.090 1.00 0.00 C ATOM 784 ND1 HIS A 55 -1.592 -10.991 -0.426 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.743 -9.476 0.897 1.00 0.00 C ATOM 786 CE1 HIS A 55 -0.689 -11.592 0.327 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.158 -10.695 1.138 1.00 0.00 N ATOM 0 H HIS A 55 -4.050 -6.826 -1.434 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.138 -7.041 0.555 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.591 -8.856 -0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.583 -8.878 -1.830 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.520 -8.547 1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.429 -12.639 0.287 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.568 -10.878 1.831 1.00 0.00 H new ATOM 796 N LEU A 56 0.086 -6.447 -0.327 1.00 0.00 N ATOM 797 CA LEU A 56 1.426 -6.119 -0.801 1.00 0.00 C ATOM 798 C LEU A 56 2.193 -7.382 -1.181 1.00 0.00 C ATOM 799 O LEU A 56 2.217 -8.356 -0.428 1.00 0.00 O ATOM 800 CB LEU A 56 2.194 -5.346 0.272 1.00 0.00 C ATOM 801 CG LEU A 56 3.173 -4.287 -0.235 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.487 -2.934 -0.346 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.385 -4.198 0.681 1.00 0.00 C ATOM 0 H LEU A 56 -0.061 -6.281 0.669 1.00 0.00 H new ATOM 0 HA LEU A 56 1.327 -5.494 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.472 -4.860 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.747 -6.061 0.881 1.00 0.00 H new ATOM 0 HG LEU A 56 3.513 -4.581 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.200 -2.193 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.652 -3.005 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.117 -2.632 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.071 -3.439 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.062 -3.928 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.891 -5.163 0.709 1.00 0.00 H new ATOM 815 N ILE A 57 2.821 -7.357 -2.352 1.00 0.00 N ATOM 816 CA ILE A 57 3.592 -8.498 -2.829 1.00 0.00 C ATOM 817 C ILE A 57 5.079 -8.312 -2.550 1.00 0.00 C ATOM 818 O ILE A 57 5.721 -9.176 -1.954 1.00 0.00 O ATOM 819 CB ILE A 57 3.389 -8.722 -4.339 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.949 -9.154 -4.624 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.371 -9.762 -4.857 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.543 -10.419 -3.901 1.00 0.00 C ATOM 0 H ILE A 57 2.811 -6.559 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 57 3.230 -9.372 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 57 3.576 -7.782 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.273 -8.348 -4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.829 -9.304 -5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.215 -9.909 -5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.391 -9.418 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.212 -10.705 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.511 -10.665 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.195 -11.238 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.630 -10.267 -2.825 1.00 0.00 H new ATOM 834 N GLU A 58 5.620 -7.177 -2.983 1.00 0.00 N ATOM 835 CA GLU A 58 7.033 -6.878 -2.778 1.00 0.00 C ATOM 836 C GLU A 58 7.276 -5.372 -2.785 1.00 0.00 C ATOM 837 O GLU A 58 6.428 -4.596 -3.226 1.00 0.00 O ATOM 838 CB GLU A 58 7.881 -7.548 -3.860 1.00 0.00 C ATOM 839 CG GLU A 58 7.540 -7.092 -5.269 1.00 0.00 C ATOM 840 CD GLU A 58 8.120 -8.003 -6.333 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.146 -9.232 -6.113 1.00 0.00 O ATOM 842 OE2 GLU A 58 8.549 -7.487 -7.387 1.00 0.00 O ATOM 0 H GLU A 58 5.102 -6.450 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 58 7.324 -7.271 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.933 -7.342 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.751 -8.628 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.457 -7.052 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.914 -6.079 -5.420 1.00 0.00 H new ATOM 849 N VAL A 59 8.441 -4.964 -2.291 1.00 0.00 N ATOM 850 CA VAL A 59 8.798 -3.551 -2.241 1.00 0.00 C ATOM 851 C VAL A 59 10.165 -3.307 -2.869 1.00 0.00 C ATOM 852 O VAL A 59 11.189 -3.737 -2.340 1.00 0.00 O ATOM 853 CB VAL A 59 8.809 -3.027 -0.792 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.115 -1.537 -0.766 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.482 -3.319 -0.110 1.00 0.00 C ATOM 0 H VAL A 59 9.154 -5.592 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 59 8.040 -3.012 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 59 9.595 -3.545 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.119 -1.184 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.092 -1.358 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.353 -0.999 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.508 -2.942 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.676 -2.830 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.309 -4.395 -0.096 1.00 0.00 H new ATOM 865 N ASN A 60 10.174 -2.612 -4.002 1.00 0.00 N ATOM 866 CA ASN A 60 11.416 -2.309 -4.704 1.00 0.00 C ATOM 867 C ASN A 60 12.083 -3.587 -5.204 1.00 0.00 C ATOM 868 O ASN A 60 13.308 -3.672 -5.277 1.00 0.00 O ATOM 869 CB ASN A 60 12.373 -1.547 -3.785 1.00 0.00 C ATOM 870 CG ASN A 60 11.787 -0.234 -3.301 1.00 0.00 C ATOM 871 OD1 ASN A 60 10.672 -0.193 -2.781 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.539 0.847 -3.472 1.00 0.00 N ATOM 0 H ASN A 60 9.335 -2.248 -4.454 1.00 0.00 H new ATOM 0 HA ASN A 60 11.175 -1.685 -5.564 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.620 -2.170 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.305 -1.352 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.198 1.759 -3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.457 0.766 -3.908 1.00 0.00 H new ATOM 879 N GLY A 61 11.267 -4.578 -5.549 1.00 0.00 N ATOM 880 CA GLY A 61 11.796 -5.838 -6.038 1.00 0.00 C ATOM 881 C GLY A 61 12.225 -6.762 -4.916 1.00 0.00 C ATOM 882 O GLY A 61 13.298 -7.361 -4.973 1.00 0.00 O ATOM 0 H GLY A 61 10.249 -4.531 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.039 -6.335 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.648 -5.642 -6.689 1.00 0.00 H new ATOM 886 N GLU A 62 11.385 -6.877 -3.892 1.00 0.00 N ATOM 887 CA GLU A 62 11.685 -7.733 -2.750 1.00 0.00 C ATOM 888 C GLU A 62 10.411 -8.356 -2.188 1.00 0.00 C ATOM 889 O GLU A 62 9.579 -7.669 -1.597 1.00 0.00 O ATOM 890 CB GLU A 62 12.400 -6.933 -1.659 1.00 0.00 C ATOM 891 CG GLU A 62 13.314 -7.776 -0.786 1.00 0.00 C ATOM 892 CD GLU A 62 14.489 -6.988 -0.240 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.752 -5.881 -0.755 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.145 -7.479 0.702 1.00 0.00 O ATOM 0 H GLU A 62 10.492 -6.388 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 62 12.340 -8.534 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.986 -6.141 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.655 -6.448 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.740 -8.187 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.686 -8.621 -1.365 1.00 0.00 H new ATOM 901 N ASN A 63 10.266 -9.664 -2.376 1.00 0.00 N ATOM 902 CA ASN A 63 9.094 -10.381 -1.889 1.00 0.00 C ATOM 903 C ASN A 63 8.913 -10.173 -0.388 1.00 0.00 C ATOM 904 O ASN A 63 9.645 -10.743 0.421 1.00 0.00 O ATOM 905 CB ASN A 63 9.219 -11.875 -2.196 1.00 0.00 C ATOM 906 CG ASN A 63 7.876 -12.579 -2.200 1.00 0.00 C ATOM 907 OD1 ASN A 63 7.712 -13.630 -1.580 1.00 0.00 O ATOM 908 ND2 ASN A 63 6.908 -12.002 -2.903 1.00 0.00 N ATOM 0 H ASN A 63 10.946 -10.249 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 63 8.218 -9.983 -2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.697 -12.005 -3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.869 -12.342 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.983 -12.430 -2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.089 -11.131 -3.401 1.00 0.00 H new ATOM 915 N VAL A 64 7.933 -9.352 -0.024 1.00 0.00 N ATOM 916 CA VAL A 64 7.655 -9.069 1.379 1.00 0.00 C ATOM 917 C VAL A 64 6.261 -9.547 1.770 1.00 0.00 C ATOM 918 O VAL A 64 5.822 -9.350 2.902 1.00 0.00 O ATOM 919 CB VAL A 64 7.773 -7.564 1.682 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.211 -7.096 1.516 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.837 -6.765 0.787 1.00 0.00 C ATOM 0 H VAL A 64 7.319 -8.871 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 64 8.399 -9.609 1.964 1.00 0.00 H new ATOM 0 HB VAL A 64 7.479 -7.396 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.274 -6.030 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.854 -7.646 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.536 -7.276 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.934 -5.703 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.097 -6.937 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.809 -7.081 0.961 1.00 0.00 H new ATOM 931 N GLU A 65 5.571 -10.178 0.825 1.00 0.00 N ATOM 932 CA GLU A 65 4.226 -10.684 1.071 1.00 0.00 C ATOM 933 C GLU A 65 4.218 -11.659 2.245 1.00 0.00 C ATOM 934 O GLU A 65 3.170 -11.937 2.828 1.00 0.00 O ATOM 935 CB GLU A 65 3.679 -11.373 -0.181 1.00 0.00 C ATOM 936 CG GLU A 65 4.756 -12.003 -1.049 1.00 0.00 C ATOM 937 CD GLU A 65 4.263 -13.230 -1.790 1.00 0.00 C ATOM 938 OE1 GLU A 65 3.227 -13.129 -2.481 1.00 0.00 O ATOM 939 OE2 GLU A 65 4.912 -14.291 -1.680 1.00 0.00 O ATOM 0 H GLU A 65 5.921 -10.351 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 65 3.587 -9.837 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.969 -12.144 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.126 -10.645 -0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.114 -11.267 -1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.606 -12.277 -0.425 1.00 0.00 H new ATOM 946 N ASP A 66 5.394 -12.174 2.586 1.00 0.00 N ATOM 947 CA ASP A 66 5.524 -13.117 3.691 1.00 0.00 C ATOM 948 C ASP A 66 6.433 -12.556 4.780 1.00 0.00 C ATOM 949 O ASP A 66 6.707 -13.223 5.778 1.00 0.00 O ATOM 950 CB ASP A 66 6.074 -14.452 3.188 1.00 0.00 C ATOM 951 CG ASP A 66 7.079 -14.278 2.066 1.00 0.00 C ATOM 952 OD1 ASP A 66 6.665 -13.886 0.955 1.00 0.00 O ATOM 953 OD2 ASP A 66 8.279 -14.536 2.299 1.00 0.00 O ATOM 0 H ASP A 66 6.271 -11.955 2.113 1.00 0.00 H new ATOM 0 HA ASP A 66 4.534 -13.278 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.546 -14.982 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.249 -15.074 2.840 1.00 0.00 H new ATOM 958 N ALA A 67 6.897 -11.327 4.581 1.00 0.00 N ATOM 959 CA ALA A 67 7.774 -10.676 5.547 1.00 0.00 C ATOM 960 C ALA A 67 6.969 -9.928 6.603 1.00 0.00 C ATOM 961 O ALA A 67 5.808 -9.581 6.382 1.00 0.00 O ATOM 962 CB ALA A 67 8.728 -9.727 4.837 1.00 0.00 C ATOM 0 H ALA A 67 6.680 -10.762 3.760 1.00 0.00 H new ATOM 0 HA ALA A 67 8.355 -11.448 6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.377 -9.248 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.335 -10.287 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.156 -8.966 4.306 1.00 0.00 H new ATOM 968 N SER A 68 7.591 -9.682 7.752 1.00 0.00 N ATOM 969 CA SER A 68 6.930 -8.979 8.844 1.00 0.00 C ATOM 970 C SER A 68 6.855 -7.481 8.560 1.00 0.00 C ATOM 971 O SER A 68 7.427 -6.994 7.584 1.00 0.00 O ATOM 972 CB SER A 68 7.672 -9.223 10.160 1.00 0.00 C ATOM 973 OG SER A 68 8.785 -8.356 10.286 1.00 0.00 O ATOM 0 H SER A 68 8.552 -9.960 7.950 1.00 0.00 H new ATOM 0 HA SER A 68 5.915 -9.366 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.992 -9.071 10.998 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.007 -10.259 10.205 1.00 0.00 H new ATOM 0 HG SER A 68 9.241 -8.531 11.136 1.00 0.00 H new ATOM 979 N HIS A 69 6.147 -6.757 9.420 1.00 0.00 N ATOM 980 CA HIS A 69 5.997 -5.314 9.263 1.00 0.00 C ATOM 981 C HIS A 69 7.309 -4.596 9.564 1.00 0.00 C ATOM 982 O HIS A 69 7.637 -3.593 8.932 1.00 0.00 O ATOM 983 CB HIS A 69 4.893 -4.792 10.183 1.00 0.00 C ATOM 984 CG HIS A 69 4.477 -3.385 9.880 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.594 -2.676 10.666 1.00 0.00 N ATOM 986 CD2 HIS A 69 4.829 -2.556 8.869 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.420 -1.471 10.152 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.158 -1.373 9.061 1.00 0.00 N ATOM 0 H HIS A 69 5.668 -7.145 10.233 1.00 0.00 H new ATOM 0 HA HIS A 69 5.722 -5.112 8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.024 -5.445 10.101 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.236 -4.846 11.216 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.145 -3.027 11.512 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.510 -2.783 8.062 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.783 -0.698 10.555 1.00 0.00 H new ATOM 997 N GLU A 70 8.054 -5.117 10.534 1.00 0.00 N ATOM 998 CA GLU A 70 9.329 -4.523 10.920 1.00 0.00 C ATOM 999 C GLU A 70 10.395 -4.788 9.860 1.00 0.00 C ATOM 1000 O GLU A 70 11.354 -4.029 9.727 1.00 0.00 O ATOM 1001 CB GLU A 70 9.788 -5.078 12.270 1.00 0.00 C ATOM 1002 CG GLU A 70 9.075 -4.455 13.458 1.00 0.00 C ATOM 1003 CD GLU A 70 9.627 -3.090 13.819 1.00 0.00 C ATOM 1004 OE1 GLU A 70 9.747 -2.239 12.912 1.00 0.00 O ATOM 1005 OE2 GLU A 70 9.940 -2.872 15.008 1.00 0.00 O ATOM 0 H GLU A 70 7.797 -5.948 11.066 1.00 0.00 H new ATOM 0 HA GLU A 70 9.187 -3.446 11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.626 -6.156 12.284 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.861 -4.915 12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.012 -4.365 13.233 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.164 -5.118 14.319 1.00 0.00 H new ATOM 1012 N GLU A 71 10.218 -5.871 9.109 1.00 0.00 N ATOM 1013 CA GLU A 71 11.165 -6.236 8.062 1.00 0.00 C ATOM 1014 C GLU A 71 10.965 -5.371 6.821 1.00 0.00 C ATOM 1015 O GLU A 71 11.900 -5.141 6.054 1.00 0.00 O ATOM 1016 CB GLU A 71 11.011 -7.714 7.697 1.00 0.00 C ATOM 1017 CG GLU A 71 11.815 -8.648 8.586 1.00 0.00 C ATOM 1018 CD GLU A 71 13.271 -8.738 8.172 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.796 -7.744 7.629 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.884 -9.804 8.391 1.00 0.00 O ATOM 0 H GLU A 71 9.429 -6.510 9.206 1.00 0.00 H new ATOM 0 HA GLU A 71 12.172 -6.066 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.957 -7.986 7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.319 -7.858 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.755 -8.302 9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.371 -9.643 8.557 1.00 0.00 H new ATOM 1027 N VAL A 72 9.739 -4.894 6.631 1.00 0.00 N ATOM 1028 CA VAL A 72 9.415 -4.054 5.484 1.00 0.00 C ATOM 1029 C VAL A 72 9.701 -2.586 5.780 1.00 0.00 C ATOM 1030 O VAL A 72 10.419 -1.919 5.035 1.00 0.00 O ATOM 1031 CB VAL A 72 7.938 -4.206 5.076 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.560 -3.161 4.038 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.672 -5.610 4.553 1.00 0.00 C ATOM 0 H VAL A 72 8.954 -5.075 7.256 1.00 0.00 H new ATOM 0 HA VAL A 72 10.047 -4.386 4.660 1.00 0.00 H new ATOM 0 HB VAL A 72 7.317 -4.048 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.513 -3.284 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.711 -2.165 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.185 -3.284 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.623 -5.700 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.301 -5.799 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.901 -6.338 5.332 1.00 0.00 H new ATOM 1043 N VAL A 73 9.134 -2.088 6.874 1.00 0.00 N ATOM 1044 CA VAL A 73 9.329 -0.698 7.271 1.00 0.00 C ATOM 1045 C VAL A 73 10.768 -0.255 7.033 1.00 0.00 C ATOM 1046 O VAL A 73 11.014 0.800 6.450 1.00 0.00 O ATOM 1047 CB VAL A 73 8.976 -0.484 8.755 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.721 -1.480 9.630 1.00 0.00 C ATOM 1049 CG2 VAL A 73 9.288 0.945 9.175 1.00 0.00 C ATOM 0 H VAL A 73 8.536 -2.626 7.501 1.00 0.00 H new ATOM 0 HA VAL A 73 8.661 -0.096 6.655 1.00 0.00 H new ATOM 0 HB VAL A 73 7.907 -0.652 8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.459 -1.314 10.675 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.444 -2.495 9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.795 -1.347 9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.033 1.079 10.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.350 1.143 9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.705 1.638 8.569 1.00 0.00 H new ATOM 1059 N GLU A 74 11.715 -1.070 7.487 1.00 0.00 N ATOM 1060 CA GLU A 74 13.131 -0.761 7.323 1.00 0.00 C ATOM 1061 C GLU A 74 13.514 -0.733 5.846 1.00 0.00 C ATOM 1062 O GLU A 74 14.206 0.177 5.389 1.00 0.00 O ATOM 1063 CB GLU A 74 13.989 -1.788 8.064 1.00 0.00 C ATOM 1064 CG GLU A 74 13.996 -3.160 7.411 1.00 0.00 C ATOM 1065 CD GLU A 74 14.876 -4.152 8.147 1.00 0.00 C ATOM 1066 OE1 GLU A 74 14.719 -4.282 9.380 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.720 -4.797 7.492 1.00 0.00 O ATOM 0 H GLU A 74 11.528 -1.948 7.971 1.00 0.00 H new ATOM 0 HA GLU A 74 13.313 0.227 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.013 -1.418 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.624 -1.884 9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.977 -3.544 7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.342 -3.067 6.382 1.00 0.00 H new ATOM 1074 N LYS A 75 13.059 -1.737 5.103 1.00 0.00 N ATOM 1075 CA LYS A 75 13.352 -1.829 3.678 1.00 0.00 C ATOM 1076 C LYS A 75 12.961 -0.543 2.958 1.00 0.00 C ATOM 1077 O LYS A 75 13.716 -0.025 2.135 1.00 0.00 O ATOM 1078 CB LYS A 75 12.613 -3.018 3.060 1.00 0.00 C ATOM 1079 CG LYS A 75 13.181 -4.366 3.467 1.00 0.00 C ATOM 1080 CD LYS A 75 12.230 -5.500 3.122 1.00 0.00 C ATOM 1081 CE LYS A 75 12.978 -6.800 2.875 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.475 -7.404 4.142 1.00 0.00 N ATOM 0 H LYS A 75 12.485 -2.499 5.465 1.00 0.00 H new ATOM 0 HA LYS A 75 14.426 -1.977 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.563 -2.973 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.648 -2.932 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.136 -4.526 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.379 -4.370 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.517 -5.638 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.654 -5.236 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.320 -7.507 2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.819 -6.614 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.514 -7.360 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.089 -6.878 4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.169 -8.397 4.197 1.00 0.00 H new ATOM 1096 N VAL A 76 11.775 -0.031 3.273 1.00 0.00 N ATOM 1097 CA VAL A 76 11.284 1.197 2.658 1.00 0.00 C ATOM 1098 C VAL A 76 12.233 2.361 2.921 1.00 0.00 C ATOM 1099 O VAL A 76 12.603 3.094 2.004 1.00 0.00 O ATOM 1100 CB VAL A 76 9.882 1.564 3.179 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.494 2.963 2.725 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.857 0.540 2.715 1.00 0.00 C ATOM 0 H VAL A 76 11.136 -0.448 3.951 1.00 0.00 H new ATOM 0 HA VAL A 76 11.228 1.013 1.585 1.00 0.00 H new ATOM 0 HB VAL A 76 9.903 1.554 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.501 3.206 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.215 3.684 3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.488 3.004 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.872 0.815 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.835 0.515 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.129 -0.445 3.095 1.00 0.00 H new ATOM 1112 N LYS A 77 12.625 2.524 4.180 1.00 0.00 N ATOM 1113 CA LYS A 77 13.533 3.598 4.566 1.00 0.00 C ATOM 1114 C LYS A 77 14.809 3.558 3.731 1.00 0.00 C ATOM 1115 O LYS A 77 15.321 4.596 3.310 1.00 0.00 O ATOM 1116 CB LYS A 77 13.880 3.491 6.052 1.00 0.00 C ATOM 1117 CG LYS A 77 12.730 3.860 6.973 1.00 0.00 C ATOM 1118 CD LYS A 77 13.191 3.994 8.415 1.00 0.00 C ATOM 1119 CE LYS A 77 12.081 4.525 9.308 1.00 0.00 C ATOM 1120 NZ LYS A 77 11.823 5.972 9.072 1.00 0.00 N ATOM 0 H LYS A 77 12.328 1.926 4.951 1.00 0.00 H new ATOM 0 HA LYS A 77 13.030 4.548 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.196 2.471 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.729 4.141 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.286 4.799 6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.952 3.099 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.523 3.023 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.050 4.664 8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.167 3.959 9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.350 4.370 10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.172 6.332 9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.720 6.497 9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.397 6.100 8.132 1.00 0.00 H new ATOM 1134 N LYS A 78 15.317 2.354 3.493 1.00 0.00 N ATOM 1135 CA LYS A 78 16.532 2.177 2.705 1.00 0.00 C ATOM 1136 C LYS A 78 16.296 2.563 1.248 1.00 0.00 C ATOM 1137 O LYS A 78 17.203 3.045 0.570 1.00 0.00 O ATOM 1138 CB LYS A 78 17.012 0.727 2.789 1.00 0.00 C ATOM 1139 CG LYS A 78 17.080 0.190 4.208 1.00 0.00 C ATOM 1140 CD LYS A 78 18.443 0.437 4.834 1.00 0.00 C ATOM 1141 CE LYS A 78 18.758 -0.591 5.909 1.00 0.00 C ATOM 1142 NZ LYS A 78 20.221 -0.846 6.021 1.00 0.00 N ATOM 0 H LYS A 78 14.906 1.485 3.835 1.00 0.00 H new ATOM 0 HA LYS A 78 17.301 2.832 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.343 0.097 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 78 18.000 0.653 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.309 0.664 4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.869 -0.879 4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.211 0.403 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.470 1.437 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.376 -0.242 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.243 -1.524 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.394 -1.552 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 20.582 -1.203 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.710 0.039 6.264 1.00 0.00 H new ATOM 1156 N SER A 79 15.073 2.348 0.774 1.00 0.00 N ATOM 1157 CA SER A 79 14.720 2.671 -0.603 1.00 0.00 C ATOM 1158 C SER A 79 15.469 3.911 -1.080 1.00 0.00 C ATOM 1159 O SER A 79 16.147 3.885 -2.106 1.00 0.00 O ATOM 1160 CB SER A 79 13.211 2.894 -0.726 1.00 0.00 C ATOM 1161 OG SER A 79 12.858 4.212 -0.345 1.00 0.00 O ATOM 0 H SER A 79 14.310 1.952 1.323 1.00 0.00 H new ATOM 0 HA SER A 79 15.009 1.829 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.896 2.712 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.682 2.177 -0.099 1.00 0.00 H new ATOM 0 HG SER A 79 12.654 4.232 0.613 1.00 0.00 H new ATOM 1167 N GLY A 80 15.341 4.999 -0.326 1.00 0.00 N ATOM 1168 CA GLY A 80 16.010 6.235 -0.686 1.00 0.00 C ATOM 1169 C GLY A 80 15.038 7.374 -0.921 1.00 0.00 C ATOM 1170 O GLY A 80 14.715 8.123 0.001 1.00 0.00 O ATOM 0 H GLY A 80 14.785 5.046 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.705 6.512 0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.602 6.075 -1.587 1.00 0.00 H new ATOM 1174 N SER A 81 14.571 7.506 -2.158 1.00 0.00 N ATOM 1175 CA SER A 81 13.635 8.566 -2.513 1.00 0.00 C ATOM 1176 C SER A 81 12.340 7.982 -3.069 1.00 0.00 C ATOM 1177 O SER A 81 11.247 8.317 -2.610 1.00 0.00 O ATOM 1178 CB SER A 81 14.264 9.510 -3.539 1.00 0.00 C ATOM 1179 OG SER A 81 15.418 10.141 -3.011 1.00 0.00 O ATOM 0 H SER A 81 14.826 6.892 -2.932 1.00 0.00 H new ATOM 0 HA SER A 81 13.402 9.129 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.530 8.952 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.537 10.265 -3.837 1.00 0.00 H new ATOM 0 HG SER A 81 15.803 10.738 -3.687 1.00 0.00 H new ATOM 1185 N ARG A 82 12.470 7.108 -4.062 1.00 0.00 N ATOM 1186 CA ARG A 82 11.311 6.478 -4.682 1.00 0.00 C ATOM 1187 C ARG A 82 11.293 4.978 -4.402 1.00 0.00 C ATOM 1188 O ARG A 82 12.324 4.381 -4.091 1.00 0.00 O ATOM 1189 CB ARG A 82 11.318 6.725 -6.192 1.00 0.00 C ATOM 1190 CG ARG A 82 11.559 8.177 -6.570 1.00 0.00 C ATOM 1191 CD ARG A 82 12.139 8.299 -7.971 1.00 0.00 C ATOM 1192 NE ARG A 82 12.328 9.693 -8.365 1.00 0.00 N ATOM 1193 CZ ARG A 82 12.394 10.096 -9.629 1.00 0.00 C ATOM 1194 NH1 ARG A 82 12.285 9.217 -10.616 1.00 0.00 N ATOM 1195 NH2 ARG A 82 12.568 11.381 -9.908 1.00 0.00 N ATOM 0 H ARG A 82 13.367 6.820 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 82 10.413 6.922 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.090 6.106 -6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.364 6.403 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.621 8.729 -6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.241 8.633 -5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.095 7.777 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.475 7.808 -8.682 1.00 0.00 H new ATOM 0 HE ARG A 82 12.414 10.395 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.150 8.228 -10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.336 9.530 -11.585 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.651 12.060 -9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.619 11.690 -10.879 1.00 0.00 H new ATOM 1209 N VAL A 83 10.113 4.375 -4.514 1.00 0.00 N ATOM 1210 CA VAL A 83 9.960 2.945 -4.273 1.00 0.00 C ATOM 1211 C VAL A 83 9.017 2.314 -5.292 1.00 0.00 C ATOM 1212 O VAL A 83 8.251 3.010 -5.958 1.00 0.00 O ATOM 1213 CB VAL A 83 9.425 2.669 -2.855 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.491 2.974 -1.814 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.165 3.480 -2.594 1.00 0.00 C ATOM 0 H VAL A 83 9.250 4.854 -4.770 1.00 0.00 H new ATOM 0 HA VAL A 83 10.950 2.499 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 83 9.170 1.612 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.095 2.773 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.363 2.345 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.779 4.023 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.801 3.273 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.390 4.542 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.400 3.207 -3.320 1.00 0.00 H new ATOM 1225 N MET A 84 9.079 0.992 -5.407 1.00 0.00 N ATOM 1226 CA MET A 84 8.229 0.266 -6.344 1.00 0.00 C ATOM 1227 C MET A 84 7.361 -0.753 -5.614 1.00 0.00 C ATOM 1228 O MET A 84 7.827 -1.833 -5.250 1.00 0.00 O ATOM 1229 CB MET A 84 9.083 -0.437 -7.401 1.00 0.00 C ATOM 1230 CG MET A 84 8.303 -1.425 -8.253 1.00 0.00 C ATOM 1231 SD MET A 84 9.366 -2.638 -9.059 1.00 0.00 S ATOM 1232 CE MET A 84 10.477 -1.565 -9.966 1.00 0.00 C ATOM 0 H MET A 84 9.708 0.401 -4.864 1.00 0.00 H new ATOM 0 HA MET A 84 7.575 0.986 -6.836 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.534 0.314 -8.050 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.900 -0.962 -6.906 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.576 -1.943 -7.628 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.740 -0.880 -9.011 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.079 -2.161 -10.652 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.897 -0.835 -10.531 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.132 -1.045 -9.267 1.00 0.00 H new ATOM 1242 N PHE A 85 6.096 -0.403 -5.402 1.00 0.00 N ATOM 1243 CA PHE A 85 5.164 -1.288 -4.713 1.00 0.00 C ATOM 1244 C PHE A 85 4.344 -2.098 -5.713 1.00 0.00 C ATOM 1245 O PHE A 85 3.835 -1.559 -6.697 1.00 0.00 O ATOM 1246 CB PHE A 85 4.232 -0.477 -3.810 1.00 0.00 C ATOM 1247 CG PHE A 85 4.931 0.154 -2.640 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.495 -0.631 -1.648 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.023 1.532 -2.532 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.139 -0.054 -0.569 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.666 2.115 -1.457 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.224 1.321 -0.474 1.00 0.00 C ATOM 0 H PHE A 85 5.693 0.486 -5.697 1.00 0.00 H new ATOM 0 HA PHE A 85 5.742 -1.979 -4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.754 0.304 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.439 -1.128 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.431 -1.707 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.587 2.158 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.575 -0.677 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.732 3.191 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.726 1.775 0.368 1.00 0.00 H new ATOM 1262 N LEU A 86 4.220 -3.395 -5.454 1.00 0.00 N ATOM 1263 CA LEU A 86 3.462 -4.281 -6.331 1.00 0.00 C ATOM 1264 C LEU A 86 2.345 -4.981 -5.564 1.00 0.00 C ATOM 1265 O LEU A 86 2.601 -5.766 -4.650 1.00 0.00 O ATOM 1266 CB LEU A 86 4.390 -5.320 -6.964 1.00 0.00 C ATOM 1267 CG LEU A 86 3.710 -6.412 -7.790 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.461 -5.930 -9.211 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.552 -7.680 -7.795 1.00 0.00 C ATOM 0 H LEU A 86 4.634 -3.857 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 86 3.013 -3.676 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.103 -4.799 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.964 -5.797 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 86 2.748 -6.641 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.976 -6.721 -9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.817 -5.051 -9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.411 -5.673 -9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.052 -8.446 -8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.529 -7.466 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.678 -8.037 -6.773 1.00 0.00 H new ATOM 1281 N LEU A 87 1.104 -4.693 -5.943 1.00 0.00 N ATOM 1282 CA LEU A 87 -0.054 -5.296 -5.292 1.00 0.00 C ATOM 1283 C LEU A 87 -1.031 -5.850 -6.324 1.00 0.00 C ATOM 1284 O LEU A 87 -0.857 -5.655 -7.527 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.759 -4.268 -4.406 1.00 0.00 C ATOM 1286 CG LEU A 87 0.129 -3.177 -3.807 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.217 -1.984 -4.746 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.398 -2.748 -2.446 1.00 0.00 C ATOM 0 H LEU A 87 0.874 -4.046 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 87 0.297 -6.121 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.543 -3.789 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.250 -4.798 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 87 1.132 -3.584 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.853 -1.218 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.641 -2.301 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.780 -1.576 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.246 -1.971 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.411 -2.360 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.408 -3.605 -1.773 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.060 -6.541 -5.845 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.068 -7.121 -6.726 1.00 0.00 C ATOM 1302 C VAL A 88 -4.440 -6.509 -6.469 1.00 0.00 C ATOM 1303 O VAL A 88 -4.757 -6.122 -5.344 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.157 -8.649 -6.547 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.188 -9.238 -7.498 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.794 -9.290 -6.761 1.00 0.00 C ATOM 0 H VAL A 88 -2.218 -6.713 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.761 -6.900 -7.748 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.476 -8.861 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.237 -10.318 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.165 -8.800 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.902 -9.019 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.875 -10.369 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.443 -9.071 -7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.086 -8.889 -6.036 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.250 -6.426 -7.518 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.591 -5.863 -7.406 1.00 0.00 C ATOM 1318 C ASP A 89 -7.455 -6.699 -6.467 1.00 0.00 C ATOM 1319 O ASP A 89 -7.723 -7.872 -6.731 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.248 -5.778 -8.784 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.551 -4.789 -9.698 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.347 -4.978 -9.968 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -7.209 -3.825 -10.142 1.00 0.00 O ATOM 0 H ASP A 89 -5.002 -6.741 -8.456 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.503 -4.859 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.241 -6.764 -9.248 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.292 -5.488 -8.668 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.889 -6.089 -5.370 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.723 -6.776 -4.391 1.00 0.00 C ATOM 1330 C LYS A 90 -9.739 -7.680 -5.081 1.00 0.00 C ATOM 1331 O LYS A 90 -9.932 -8.828 -4.683 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.447 -5.759 -3.505 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.642 -5.108 -4.179 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.136 -3.903 -3.395 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.263 -3.188 -4.124 1.00 0.00 C ATOM 1336 NZ LYS A 90 -11.748 -2.128 -5.036 1.00 0.00 N ATOM 0 H LYS A 90 -7.677 -5.119 -5.136 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.076 -7.395 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.780 -6.256 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.742 -4.983 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.368 -4.800 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.448 -5.836 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.483 -4.224 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.310 -3.211 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.841 -3.912 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.942 -2.743 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.546 -1.664 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.218 -1.423 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.120 -2.556 -5.746 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.385 -7.154 -6.117 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.380 -7.916 -6.862 1.00 0.00 C ATOM 1352 C GLU A 91 -10.936 -9.365 -7.040 1.00 0.00 C ATOM 1353 O GLU A 91 -11.716 -10.295 -6.835 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.626 -7.275 -8.230 1.00 0.00 C ATOM 1355 CG GLU A 91 -13.050 -7.442 -8.733 1.00 0.00 C ATOM 1356 CD GLU A 91 -13.333 -8.848 -9.227 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -12.455 -9.428 -9.898 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -14.432 -9.368 -8.941 1.00 0.00 O ATOM 0 H GLU A 91 -10.237 -6.204 -6.459 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.309 -7.907 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.393 -6.212 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.940 -7.712 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.746 -7.196 -7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.231 -6.733 -9.541 1.00 0.00 H new