USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 895 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 65 THR OG1 : rot 98:sc= -0.175 USER MOD Set 1.2: A 68 ASN : amide:sc= -1.47! C(o=-5.3!,f=-18!) USER MOD Set 1.3: A 72 LYS NZ :NH3+ -172:sc= 0.785 (180deg=0.696) USER MOD Set 1.4: A 118 SER OG : rot 100:sc= -0.989 USER MOD Set 1.5: A 122 LYS NZ :NH3+ -155:sc= -3.49! (180deg=-3.69!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.908 USER MOD Set 2.2: A 50 MET CE :methyl 179:sc= -2.48! (180deg=-2.58!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.8!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 21 ASN : amide:sc= -0.891 K(o=-0.89,f=-4.6!) USER MOD Single : A 23 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.7!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.141 F(o=-1.7,f=-0.14) USER MOD Single : A 45 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.09 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 148:sc= -6.68! (180deg=-9.38!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 78:sc= 0.248 USER MOD Single : A 64 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-0.8) USER MOD Single : A 75 ASN :FLIP amide:sc= 1.08 F(o=-0.22,f=1.1) USER MOD Single : A 76 SER OG : rot -73:sc= 0.705 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0653) USER MOD Single : A 81 THR OG1 : rot -178:sc= -2.05! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= -0.0254 (180deg=-0.0927) USER MOD Single : A 94 MET CE :methyl -157:sc= -1.11 (180deg=-2.38!) USER MOD Single : A 96 THR OG1 : rot 92:sc= 0.425 USER MOD Single : A 98 MET CE :methyl 170:sc= -0.717 (180deg=-0.88) USER MOD Single : A 101 LYS NZ :NH3+ 144:sc= -2.33! (180deg=-3.32!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -3.51! C(o=-3.5!,f=-3.5!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 8 7.982 -18.005 2.394 1.00 0.00 N ATOM 115 CA VAL A 8 8.933 -16.860 2.512 1.00 0.00 C ATOM 116 C VAL A 8 8.357 -15.631 1.823 1.00 0.00 C ATOM 117 O VAL A 8 8.673 -14.508 2.158 1.00 0.00 O ATOM 118 CB VAL A 8 10.217 -17.329 1.826 1.00 0.00 C ATOM 119 CG1 VAL A 8 11.088 -16.121 1.476 1.00 0.00 C ATOM 120 CG2 VAL A 8 10.988 -18.252 2.771 1.00 0.00 C ATOM 0 HA VAL A 8 9.119 -16.579 3.549 1.00 0.00 H new ATOM 0 HB VAL A 8 9.962 -17.866 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.001 -16.460 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.541 -15.460 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.343 -15.580 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.904 -18.588 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.239 -17.711 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.371 -19.116 3.019 1.00 0.00 H new ATOM 130 N PHE A 9 7.500 -15.839 0.878 1.00 0.00 N ATOM 131 CA PHE A 9 6.879 -14.683 0.174 1.00 0.00 C ATOM 132 C PHE A 9 5.916 -13.976 1.127 1.00 0.00 C ATOM 133 O PHE A 9 5.568 -12.826 0.944 1.00 0.00 O ATOM 134 CB PHE A 9 6.131 -15.286 -1.013 1.00 0.00 C ATOM 135 CG PHE A 9 6.852 -14.926 -2.290 1.00 0.00 C ATOM 136 CD1 PHE A 9 8.057 -15.561 -2.616 1.00 0.00 C ATOM 137 CD2 PHE A 9 6.318 -13.956 -3.148 1.00 0.00 C ATOM 138 CE1 PHE A 9 8.727 -15.226 -3.799 1.00 0.00 C ATOM 139 CE2 PHE A 9 6.988 -13.622 -4.330 1.00 0.00 C ATOM 140 CZ PHE A 9 8.193 -14.257 -4.656 1.00 0.00 C ATOM 0 H PHE A 9 7.197 -16.759 0.557 1.00 0.00 H new ATOM 0 HA PHE A 9 7.610 -13.946 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.071 -16.369 -0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.108 -14.912 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.469 -16.309 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.389 -13.466 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.656 -15.716 -4.050 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.576 -12.874 -4.991 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.710 -13.999 -5.568 1.00 0.00 H new ATOM 150 N VAL A 10 5.495 -14.659 2.156 1.00 0.00 N ATOM 151 CA VAL A 10 4.567 -14.037 3.141 1.00 0.00 C ATOM 152 C VAL A 10 5.379 -13.327 4.228 1.00 0.00 C ATOM 153 O VAL A 10 5.095 -12.207 4.599 1.00 0.00 O ATOM 154 CB VAL A 10 3.768 -15.205 3.727 1.00 0.00 C ATOM 155 CG1 VAL A 10 3.169 -14.801 5.076 1.00 0.00 C ATOM 156 CG2 VAL A 10 2.638 -15.580 2.766 1.00 0.00 C ATOM 0 H VAL A 10 5.755 -15.625 2.357 1.00 0.00 H new ATOM 0 HA VAL A 10 3.910 -13.292 2.693 1.00 0.00 H new ATOM 0 HB VAL A 10 4.432 -16.058 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.602 -15.636 5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.970 -14.533 5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.507 -13.946 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.068 -16.411 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.980 -14.723 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.060 -15.874 1.805 1.00 0.00 H new ATOM 166 N ASP A 11 6.399 -13.967 4.734 1.00 0.00 N ATOM 167 CA ASP A 11 7.231 -13.317 5.785 1.00 0.00 C ATOM 168 C ASP A 11 7.804 -12.015 5.240 1.00 0.00 C ATOM 169 O ASP A 11 8.162 -11.114 5.973 1.00 0.00 O ATOM 170 CB ASP A 11 8.346 -14.317 6.094 1.00 0.00 C ATOM 171 CG ASP A 11 7.861 -15.313 7.148 1.00 0.00 C ATOM 172 OD1 ASP A 11 7.817 -14.942 8.310 1.00 0.00 O ATOM 173 OD2 ASP A 11 7.542 -16.431 6.777 1.00 0.00 O ATOM 0 H ASP A 11 6.690 -14.907 4.466 1.00 0.00 H new ATOM 0 HA ASP A 11 6.662 -13.072 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.637 -14.845 5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.230 -13.792 6.455 1.00 0.00 H new ATOM 178 N GLU A 12 7.872 -11.917 3.950 1.00 0.00 N ATOM 179 CA GLU A 12 8.405 -10.678 3.314 1.00 0.00 C ATOM 180 C GLU A 12 7.268 -9.679 3.082 1.00 0.00 C ATOM 181 O GLU A 12 7.459 -8.481 3.147 1.00 0.00 O ATOM 182 CB GLU A 12 8.999 -11.135 1.982 1.00 0.00 C ATOM 183 CG GLU A 12 10.286 -11.920 2.240 1.00 0.00 C ATOM 184 CD GLU A 12 11.479 -11.142 1.682 1.00 0.00 C ATOM 185 OE1 GLU A 12 11.823 -10.126 2.263 1.00 0.00 O ATOM 186 OE2 GLU A 12 12.030 -11.575 0.683 1.00 0.00 O ATOM 0 H GLU A 12 7.580 -12.645 3.298 1.00 0.00 H new ATOM 0 HA GLU A 12 9.148 -10.179 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.282 -11.757 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.207 -10.272 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.415 -12.086 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.226 -12.902 1.770 1.00 0.00 H new ATOM 193 N THR A 13 6.083 -10.161 2.814 1.00 0.00 N ATOM 194 CA THR A 13 4.939 -9.233 2.584 1.00 0.00 C ATOM 195 C THR A 13 4.538 -8.567 3.907 1.00 0.00 C ATOM 196 O THR A 13 4.020 -7.467 3.929 1.00 0.00 O ATOM 197 CB THR A 13 3.812 -10.119 2.020 1.00 0.00 C ATOM 198 OG1 THR A 13 3.063 -9.374 1.071 1.00 0.00 O ATOM 199 CG2 THR A 13 2.878 -10.597 3.139 1.00 0.00 C ATOM 0 H THR A 13 5.859 -11.154 2.745 1.00 0.00 H new ATOM 0 HA THR A 13 5.178 -8.423 1.894 1.00 0.00 H new ATOM 0 HB THR A 13 4.261 -10.992 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.346 -9.934 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.091 -11.221 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.448 -11.176 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.431 -9.734 3.633 1.00 0.00 H new ATOM 207 N LYS A 14 4.784 -9.225 5.008 1.00 0.00 N ATOM 208 CA LYS A 14 4.430 -8.633 6.328 1.00 0.00 C ATOM 209 C LYS A 14 5.508 -7.635 6.748 1.00 0.00 C ATOM 210 O LYS A 14 5.217 -6.513 7.109 1.00 0.00 O ATOM 211 CB LYS A 14 4.375 -9.819 7.292 1.00 0.00 C ATOM 212 CG LYS A 14 3.433 -10.887 6.733 1.00 0.00 C ATOM 213 CD LYS A 14 3.800 -12.251 7.318 1.00 0.00 C ATOM 214 CE LYS A 14 2.686 -12.720 8.256 1.00 0.00 C ATOM 215 NZ LYS A 14 3.312 -13.774 9.102 1.00 0.00 N ATOM 0 H LYS A 14 5.216 -10.148 5.049 1.00 0.00 H new ATOM 0 HA LYS A 14 3.484 -8.091 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.373 -10.235 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.028 -9.490 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.400 -10.640 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.503 -10.915 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.944 -12.975 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.743 -12.184 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.310 -11.897 8.864 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.839 -13.115 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.608 -14.145 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.654 -14.547 8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.111 -13.367 9.629 1.00 0.00 H new ATOM 229 N GLU A 15 6.753 -8.019 6.684 1.00 0.00 N ATOM 230 CA GLU A 15 7.828 -7.062 7.061 1.00 0.00 C ATOM 231 C GLU A 15 7.813 -5.886 6.088 1.00 0.00 C ATOM 232 O GLU A 15 8.403 -4.851 6.323 1.00 0.00 O ATOM 233 CB GLU A 15 9.133 -7.850 6.949 1.00 0.00 C ATOM 234 CG GLU A 15 9.225 -8.847 8.105 1.00 0.00 C ATOM 235 CD GLU A 15 10.627 -9.460 8.144 1.00 0.00 C ATOM 236 OE1 GLU A 15 11.155 -9.749 7.084 1.00 0.00 O ATOM 237 OE2 GLU A 15 11.146 -9.631 9.234 1.00 0.00 O ATOM 0 H GLU A 15 7.069 -8.943 6.390 1.00 0.00 H new ATOM 0 HA GLU A 15 7.702 -6.658 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.172 -8.377 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.985 -7.170 6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.010 -8.346 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.478 -9.631 7.983 1.00 0.00 H new ATOM 244 N TYR A 16 7.123 -6.050 4.999 1.00 0.00 N ATOM 245 CA TYR A 16 7.029 -4.965 3.986 1.00 0.00 C ATOM 246 C TYR A 16 5.817 -4.082 4.283 1.00 0.00 C ATOM 247 O TYR A 16 5.871 -2.880 4.144 1.00 0.00 O ATOM 248 CB TYR A 16 6.861 -5.683 2.646 1.00 0.00 C ATOM 249 CG TYR A 16 8.218 -5.944 2.039 1.00 0.00 C ATOM 250 CD1 TYR A 16 9.243 -6.484 2.825 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.451 -5.650 0.691 1.00 0.00 C ATOM 252 CE1 TYR A 16 10.502 -6.729 2.262 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.710 -5.894 0.127 1.00 0.00 C ATOM 254 CZ TYR A 16 10.735 -6.433 0.913 1.00 0.00 C ATOM 255 OH TYR A 16 11.976 -6.675 0.359 1.00 0.00 O ATOM 0 H TYR A 16 6.613 -6.901 4.763 1.00 0.00 H new ATOM 0 HA TYR A 16 7.905 -4.317 3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.329 -6.623 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.259 -5.076 1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.063 -6.712 3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.660 -5.235 0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.293 -7.146 2.868 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.889 -5.666 -0.913 1.00 0.00 H new ATOM 0 HH TYR A 16 11.969 -6.415 -0.586 1.00 0.00 H new ATOM 265 N LEU A 17 4.721 -4.665 4.700 1.00 0.00 N ATOM 266 CA LEU A 17 3.523 -3.834 5.011 1.00 0.00 C ATOM 267 C LEU A 17 3.868 -2.889 6.162 1.00 0.00 C ATOM 268 O LEU A 17 3.428 -1.757 6.208 1.00 0.00 O ATOM 269 CB LEU A 17 2.413 -4.827 5.392 1.00 0.00 C ATOM 270 CG LEU A 17 2.505 -5.200 6.875 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.805 -4.131 7.717 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.822 -6.551 7.101 1.00 0.00 C ATOM 0 H LEU A 17 4.606 -5.669 4.837 1.00 0.00 H new ATOM 0 HA LEU A 17 3.198 -3.216 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.438 -4.388 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.496 -5.725 4.780 1.00 0.00 H new ATOM 0 HG LEU A 17 3.553 -5.265 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.871 -4.398 8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.287 -3.167 7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.757 -4.066 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.886 -6.819 8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.775 -6.483 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.318 -7.314 6.502 1.00 0.00 H new ATOM 284 N GLN A 18 4.687 -3.339 7.070 1.00 0.00 N ATOM 285 CA GLN A 18 5.106 -2.469 8.196 1.00 0.00 C ATOM 286 C GLN A 18 6.106 -1.468 7.656 1.00 0.00 C ATOM 287 O GLN A 18 6.014 -0.278 7.881 1.00 0.00 O ATOM 288 CB GLN A 18 5.713 -3.433 9.214 1.00 0.00 C ATOM 289 CG GLN A 18 7.183 -3.102 9.512 1.00 0.00 C ATOM 290 CD GLN A 18 7.758 -4.157 10.459 1.00 0.00 C ATOM 291 OE1 GLN A 18 7.853 -5.317 10.109 1.00 0.00 O ATOM 292 NE2 GLN A 18 8.150 -3.803 11.652 1.00 0.00 N ATOM 0 H GLN A 18 5.085 -4.278 7.078 1.00 0.00 H new ATOM 0 HA GLN A 18 4.305 -1.894 8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.138 -3.394 10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.640 -4.453 8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.757 -3.077 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.261 -2.112 9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.071 -2.830 11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.536 -4.499 12.290 1.00 0.00 H new ATOM 301 N ASN A 19 7.019 -1.951 6.884 1.00 0.00 N ATOM 302 CA ASN A 19 7.995 -1.042 6.247 1.00 0.00 C ATOM 303 C ASN A 19 7.203 -0.138 5.319 1.00 0.00 C ATOM 304 O ASN A 19 7.595 0.966 4.995 1.00 0.00 O ATOM 305 CB ASN A 19 8.947 -1.950 5.463 1.00 0.00 C ATOM 306 CG ASN A 19 10.312 -1.978 6.153 1.00 0.00 C ATOM 307 OD1 ASN A 19 10.612 -2.894 6.892 1.00 0.00 O ATOM 308 ND2 ASN A 19 11.157 -1.006 5.943 1.00 0.00 N ATOM 0 H ASN A 19 7.135 -2.940 6.663 1.00 0.00 H new ATOM 0 HA ASN A 19 8.560 -0.424 6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.537 -2.958 5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.052 -1.587 4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.069 -1.016 6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.905 -0.237 5.322 1.00 0.00 H new ATOM 315 N LEU A 20 6.057 -0.612 4.925 1.00 0.00 N ATOM 316 CA LEU A 20 5.171 0.187 4.047 1.00 0.00 C ATOM 317 C LEU A 20 4.225 1.007 4.914 1.00 0.00 C ATOM 318 O LEU A 20 3.559 1.909 4.449 1.00 0.00 O ATOM 319 CB LEU A 20 4.409 -0.835 3.203 1.00 0.00 C ATOM 320 CG LEU A 20 3.117 -0.213 2.670 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.456 0.925 1.705 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.304 -1.281 1.936 1.00 0.00 C ATOM 0 H LEU A 20 5.694 -1.531 5.179 1.00 0.00 H new ATOM 0 HA LEU A 20 5.715 0.885 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.031 -1.170 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.178 -1.715 3.803 1.00 0.00 H new ATOM 0 HG LEU A 20 2.533 0.181 3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.535 1.367 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.035 1.686 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.040 0.534 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.383 -0.840 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.888 -1.675 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.061 -2.090 2.624 1.00 0.00 H new ATOM 334 N ASN A 21 4.199 0.728 6.187 1.00 0.00 N ATOM 335 CA ASN A 21 3.350 1.516 7.092 1.00 0.00 C ATOM 336 C ASN A 21 4.226 2.614 7.617 1.00 0.00 C ATOM 337 O ASN A 21 3.810 3.725 7.854 1.00 0.00 O ATOM 338 CB ASN A 21 2.937 0.573 8.212 1.00 0.00 C ATOM 339 CG ASN A 21 1.505 0.088 7.975 1.00 0.00 C ATOM 340 OD1 ASN A 21 0.968 0.246 6.896 1.00 0.00 O ATOM 341 ND2 ASN A 21 0.860 -0.502 8.945 1.00 0.00 N ATOM 0 H ASN A 21 4.735 -0.017 6.632 1.00 0.00 H new ATOM 0 HA ASN A 21 2.462 1.939 6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.617 -0.278 8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.004 1.083 9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.094 -0.830 8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.311 -0.635 9.850 1.00 0.00 H new ATOM 348 N ASP A 22 5.468 2.288 7.767 1.00 0.00 N ATOM 349 CA ASP A 22 6.428 3.288 8.246 1.00 0.00 C ATOM 350 C ASP A 22 6.553 4.347 7.172 1.00 0.00 C ATOM 351 O ASP A 22 6.725 5.522 7.429 1.00 0.00 O ATOM 352 CB ASP A 22 7.745 2.540 8.454 1.00 0.00 C ATOM 353 CG ASP A 22 8.769 3.476 9.100 1.00 0.00 C ATOM 354 OD1 ASP A 22 8.532 4.672 9.102 1.00 0.00 O ATOM 355 OD2 ASP A 22 9.774 2.979 9.583 1.00 0.00 O ATOM 0 H ASP A 22 5.857 1.365 7.576 1.00 0.00 H new ATOM 0 HA ASP A 22 6.129 3.774 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.584 1.668 9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.123 2.175 7.499 1.00 0.00 H new ATOM 360 N THR A 23 6.422 3.909 5.965 1.00 0.00 N ATOM 361 CA THR A 23 6.475 4.832 4.806 1.00 0.00 C ATOM 362 C THR A 23 5.202 5.663 4.792 1.00 0.00 C ATOM 363 O THR A 23 5.223 6.867 4.634 1.00 0.00 O ATOM 364 CB THR A 23 6.484 3.906 3.604 1.00 0.00 C ATOM 365 OG1 THR A 23 7.734 3.236 3.526 1.00 0.00 O ATOM 366 CG2 THR A 23 6.244 4.714 2.328 1.00 0.00 C ATOM 0 H THR A 23 6.277 2.929 5.723 1.00 0.00 H new ATOM 0 HA THR A 23 7.330 5.508 4.825 1.00 0.00 H new ATOM 0 HB THR A 23 5.690 3.167 3.712 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.724 2.455 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.251 4.045 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.278 5.215 2.391 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.032 5.459 2.215 1.00 0.00 H new ATOM 374 N LEU A 24 4.086 5.010 4.972 1.00 0.00 N ATOM 375 CA LEU A 24 2.794 5.732 4.987 1.00 0.00 C ATOM 376 C LEU A 24 2.688 6.503 6.293 1.00 0.00 C ATOM 377 O LEU A 24 2.031 7.522 6.378 1.00 0.00 O ATOM 378 CB LEU A 24 1.725 4.642 4.909 1.00 0.00 C ATOM 379 CG LEU A 24 1.475 4.278 3.445 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.652 2.990 3.373 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.710 5.412 2.762 1.00 0.00 C ATOM 0 H LEU A 24 4.019 4.002 5.110 1.00 0.00 H new ATOM 0 HA LEU A 24 2.687 6.444 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.047 3.761 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.801 4.990 5.371 1.00 0.00 H new ATOM 0 HG LEU A 24 2.429 4.128 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.474 2.730 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.198 2.182 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.302 3.139 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.531 5.153 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.244 5.563 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.297 6.329 2.813 1.00 0.00 H new ATOM 393 N LEU A 25 3.341 6.025 7.318 1.00 0.00 N ATOM 394 CA LEU A 25 3.278 6.749 8.619 1.00 0.00 C ATOM 395 C LEU A 25 4.256 7.902 8.619 1.00 0.00 C ATOM 396 O LEU A 25 4.137 8.837 9.374 1.00 0.00 O ATOM 397 CB LEU A 25 3.640 5.718 9.671 1.00 0.00 C ATOM 398 CG LEU A 25 2.485 4.744 9.765 1.00 0.00 C ATOM 399 CD1 LEU A 25 2.965 3.436 10.388 1.00 0.00 C ATOM 400 CD2 LEU A 25 1.380 5.369 10.617 1.00 0.00 C ATOM 0 H LEU A 25 3.908 5.177 7.312 1.00 0.00 H new ATOM 0 HA LEU A 25 2.294 7.177 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.559 5.199 9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.817 6.198 10.634 1.00 0.00 H new ATOM 0 HG LEU A 25 2.094 4.529 8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.131 2.737 10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.751 3.005 9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.356 3.631 11.387 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.542 4.676 10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.765 5.581 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.043 6.296 10.153 1.00 0.00 H new ATOM 412 N GLU A 26 5.176 7.874 7.725 1.00 0.00 N ATOM 413 CA GLU A 26 6.117 9.002 7.607 1.00 0.00 C ATOM 414 C GLU A 26 5.521 9.912 6.569 1.00 0.00 C ATOM 415 O GLU A 26 5.699 11.115 6.567 1.00 0.00 O ATOM 416 CB GLU A 26 7.442 8.398 7.146 1.00 0.00 C ATOM 417 CG GLU A 26 8.069 7.607 8.295 1.00 0.00 C ATOM 418 CD GLU A 26 9.186 8.432 8.934 1.00 0.00 C ATOM 419 OE1 GLU A 26 9.954 9.026 8.195 1.00 0.00 O ATOM 420 OE2 GLU A 26 9.257 8.456 10.151 1.00 0.00 O ATOM 0 H GLU A 26 5.322 7.113 7.062 1.00 0.00 H new ATOM 0 HA GLU A 26 6.286 9.562 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.278 7.746 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.120 9.187 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.311 7.364 9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.467 6.662 7.925 1.00 0.00 H new ATOM 427 N LEU A 27 4.783 9.310 5.692 1.00 0.00 N ATOM 428 CA LEU A 27 4.114 10.064 4.633 1.00 0.00 C ATOM 429 C LEU A 27 3.002 10.908 5.241 1.00 0.00 C ATOM 430 O LEU A 27 2.640 11.944 4.725 1.00 0.00 O ATOM 431 CB LEU A 27 3.556 9.002 3.685 1.00 0.00 C ATOM 432 CG LEU A 27 2.555 9.635 2.724 1.00 0.00 C ATOM 433 CD1 LEU A 27 3.283 10.604 1.792 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.891 8.534 1.894 1.00 0.00 C ATOM 0 H LEU A 27 4.617 8.304 5.672 1.00 0.00 H new ATOM 0 HA LEU A 27 4.780 10.749 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.369 8.540 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.073 8.210 4.257 1.00 0.00 H new ATOM 0 HG LEU A 27 1.798 10.178 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.567 11.056 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.763 11.385 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.039 10.063 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.174 8.980 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.652 7.996 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.374 7.840 2.557 1.00 0.00 H new ATOM 446 N GLU A 28 2.473 10.487 6.354 1.00 0.00 N ATOM 447 CA GLU A 28 1.410 11.289 7.007 1.00 0.00 C ATOM 448 C GLU A 28 2.057 12.532 7.608 1.00 0.00 C ATOM 449 O GLU A 28 1.560 13.633 7.481 1.00 0.00 O ATOM 450 CB GLU A 28 0.833 10.371 8.078 1.00 0.00 C ATOM 451 CG GLU A 28 1.625 10.503 9.376 1.00 0.00 C ATOM 452 CD GLU A 28 1.003 9.612 10.454 1.00 0.00 C ATOM 453 OE1 GLU A 28 -0.212 9.496 10.470 1.00 0.00 O ATOM 454 OE2 GLU A 28 1.753 9.063 11.245 1.00 0.00 O ATOM 0 H GLU A 28 2.731 9.626 6.836 1.00 0.00 H new ATOM 0 HA GLU A 28 0.625 11.627 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.213 10.622 8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.859 9.338 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.664 10.218 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.629 11.542 9.707 1.00 0.00 H new ATOM 461 N LYS A 29 3.200 12.362 8.217 1.00 0.00 N ATOM 462 CA LYS A 29 3.914 13.547 8.769 1.00 0.00 C ATOM 463 C LYS A 29 4.528 14.287 7.598 1.00 0.00 C ATOM 464 O LYS A 29 4.906 15.439 7.683 1.00 0.00 O ATOM 465 CB LYS A 29 5.015 13.013 9.682 1.00 0.00 C ATOM 466 CG LYS A 29 4.448 11.960 10.628 1.00 0.00 C ATOM 467 CD LYS A 29 5.537 10.940 10.936 1.00 0.00 C ATOM 468 CE LYS A 29 4.911 9.720 11.607 1.00 0.00 C ATOM 469 NZ LYS A 29 5.142 9.917 13.066 1.00 0.00 N ATOM 0 H LYS A 29 3.665 11.465 8.355 1.00 0.00 H new ATOM 0 HA LYS A 29 3.256 14.215 9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.817 12.581 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.451 13.831 10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.098 12.428 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.588 11.468 10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.044 10.644 10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.291 11.381 11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.847 9.650 11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.373 8.797 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.738 9.116 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.164 9.973 13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.685 10.799 13.374 1.00 0.00 H new ATOM 483 N ASN A 30 4.602 13.609 6.495 1.00 0.00 N ATOM 484 CA ASN A 30 5.165 14.225 5.262 1.00 0.00 C ATOM 485 C ASN A 30 4.445 13.644 4.068 1.00 0.00 C ATOM 486 O ASN A 30 4.946 12.784 3.371 1.00 0.00 O ATOM 487 CB ASN A 30 6.654 13.878 5.254 1.00 0.00 C ATOM 488 CG ASN A 30 7.437 14.970 5.981 1.00 0.00 C ATOM 489 OD1 ASN A 30 7.090 16.133 5.909 1.00 0.00 O ATOM 490 ND2 ASN A 30 8.486 14.644 6.683 1.00 0.00 N ATOM 0 H ASN A 30 4.294 12.642 6.390 1.00 0.00 H new ATOM 0 HA ASN A 30 5.039 15.307 5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.816 12.915 5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.010 13.782 4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.016 15.365 7.172 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.776 13.668 6.743 1.00 0.00 H new ATOM 497 N PRO A 31 3.259 14.132 3.915 1.00 0.00 N ATOM 498 CA PRO A 31 2.372 13.674 2.843 1.00 0.00 C ATOM 499 C PRO A 31 2.614 14.447 1.546 1.00 0.00 C ATOM 500 O PRO A 31 1.850 14.355 0.606 1.00 0.00 O ATOM 501 CB PRO A 31 1.001 13.977 3.417 1.00 0.00 C ATOM 502 CG PRO A 31 1.184 15.105 4.382 1.00 0.00 C ATOM 503 CD PRO A 31 2.636 15.163 4.747 1.00 0.00 C ATOM 0 HA PRO A 31 2.516 12.628 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.302 14.252 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.588 13.101 3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.864 16.046 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.572 14.951 5.271 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.058 16.147 4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.788 14.964 5.808 1.00 0.00 H new ATOM 511 N GLU A 32 3.668 15.206 1.484 1.00 0.00 N ATOM 512 CA GLU A 32 3.953 15.980 0.239 1.00 0.00 C ATOM 513 C GLU A 32 5.451 15.968 -0.050 1.00 0.00 C ATOM 514 O GLU A 32 5.921 16.593 -0.980 1.00 0.00 O ATOM 515 CB GLU A 32 3.466 17.420 0.493 1.00 0.00 C ATOM 516 CG GLU A 32 3.033 17.599 1.953 1.00 0.00 C ATOM 517 CD GLU A 32 2.726 19.073 2.219 1.00 0.00 C ATOM 518 OE1 GLU A 32 1.587 19.466 2.019 1.00 0.00 O ATOM 519 OE2 GLU A 32 3.631 19.785 2.620 1.00 0.00 O ATOM 0 H GLU A 32 4.345 15.327 2.237 1.00 0.00 H new ATOM 0 HA GLU A 32 3.447 15.545 -0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.263 18.125 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.631 17.648 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.152 16.991 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.822 17.255 2.622 1.00 0.00 H new ATOM 526 N ASP A 33 6.204 15.251 0.734 1.00 0.00 N ATOM 527 CA ASP A 33 7.669 15.188 0.497 1.00 0.00 C ATOM 528 C ASP A 33 7.941 14.594 -0.879 1.00 0.00 C ATOM 529 O ASP A 33 9.016 14.719 -1.432 1.00 0.00 O ATOM 530 CB ASP A 33 8.215 14.278 1.597 1.00 0.00 C ATOM 531 CG ASP A 33 8.956 15.122 2.635 1.00 0.00 C ATOM 532 OD1 ASP A 33 8.648 16.296 2.745 1.00 0.00 O ATOM 533 OD2 ASP A 33 9.820 14.578 3.304 1.00 0.00 O ATOM 0 H ASP A 33 5.868 14.706 1.528 1.00 0.00 H new ATOM 0 HA ASP A 33 8.139 16.171 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.399 13.733 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.888 13.535 1.169 1.00 0.00 H new ATOM 538 N MET A 34 6.962 13.935 -1.420 1.00 0.00 N ATOM 539 CA MET A 34 7.107 13.297 -2.756 1.00 0.00 C ATOM 540 C MET A 34 8.132 12.171 -2.689 1.00 0.00 C ATOM 541 O MET A 34 8.437 11.535 -3.679 1.00 0.00 O ATOM 542 CB MET A 34 7.568 14.411 -3.698 1.00 0.00 C ATOM 543 CG MET A 34 6.396 14.852 -4.576 1.00 0.00 C ATOM 544 SD MET A 34 6.533 14.070 -6.203 1.00 0.00 S ATOM 545 CE MET A 34 5.024 14.766 -6.920 1.00 0.00 C ATOM 0 H MET A 34 6.048 13.808 -0.986 1.00 0.00 H new ATOM 0 HA MET A 34 6.175 12.852 -3.103 1.00 0.00 H new ATOM 0 HB2 MET A 34 7.944 15.257 -3.122 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.391 14.059 -4.320 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.452 14.576 -4.106 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.395 15.937 -4.681 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.909 14.408 -7.943 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.163 14.456 -6.328 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.090 15.854 -6.922 1.00 0.00 H new ATOM 555 N GLU A 35 8.636 11.889 -1.522 1.00 0.00 N ATOM 556 CA GLU A 35 9.598 10.778 -1.390 1.00 0.00 C ATOM 557 C GLU A 35 8.859 9.619 -0.749 1.00 0.00 C ATOM 558 O GLU A 35 8.985 8.477 -1.148 1.00 0.00 O ATOM 559 CB GLU A 35 10.724 11.309 -0.495 1.00 0.00 C ATOM 560 CG GLU A 35 10.328 11.202 0.981 1.00 0.00 C ATOM 561 CD GLU A 35 11.461 11.751 1.852 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.464 12.162 1.294 1.00 0.00 O ATOM 563 OE2 GLU A 35 11.304 11.751 3.063 1.00 0.00 O ATOM 0 H GLU A 35 8.419 12.384 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 35 10.016 10.432 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.638 10.743 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.938 12.348 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.410 11.761 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.126 10.163 1.240 1.00 0.00 H new ATOM 570 N LEU A 36 8.042 9.920 0.218 1.00 0.00 N ATOM 571 CA LEU A 36 7.242 8.848 0.852 1.00 0.00 C ATOM 572 C LEU A 36 6.105 8.490 -0.098 1.00 0.00 C ATOM 573 O LEU A 36 5.586 7.392 -0.080 1.00 0.00 O ATOM 574 CB LEU A 36 6.698 9.436 2.155 1.00 0.00 C ATOM 575 CG LEU A 36 7.854 9.905 3.041 1.00 0.00 C ATOM 576 CD1 LEU A 36 7.354 10.089 4.471 1.00 0.00 C ATOM 577 CD2 LEU A 36 8.976 8.862 3.029 1.00 0.00 C ATOM 0 H LEU A 36 7.896 10.857 0.593 1.00 0.00 H new ATOM 0 HA LEU A 36 7.820 7.947 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.034 10.272 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.106 8.688 2.682 1.00 0.00 H new ATOM 0 HG LEU A 36 8.237 10.851 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.176 10.423 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.559 10.835 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.969 9.141 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.796 9.202 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.595 7.913 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.337 8.727 2.009 1.00 0.00 H new ATOM 589 N ILE A 37 5.730 9.410 -0.953 1.00 0.00 N ATOM 590 CA ILE A 37 4.647 9.110 -1.923 1.00 0.00 C ATOM 591 C ILE A 37 5.214 8.225 -3.033 1.00 0.00 C ATOM 592 O ILE A 37 4.512 7.431 -3.626 1.00 0.00 O ATOM 593 CB ILE A 37 4.208 10.470 -2.474 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.480 11.252 -1.378 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.261 10.263 -3.657 1.00 0.00 C ATOM 596 CD1 ILE A 37 3.065 12.623 -1.914 1.00 0.00 C ATOM 0 H ILE A 37 6.127 10.347 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 37 3.805 8.581 -1.476 1.00 0.00 H new ATOM 0 HB ILE A 37 5.086 11.027 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.601 10.699 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.129 11.371 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.950 11.232 -4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.773 9.704 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.384 9.706 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.547 13.178 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.952 13.176 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.400 12.494 -2.768 1.00 0.00 H new ATOM 608 N ASN A 38 6.488 8.349 -3.314 1.00 0.00 N ATOM 609 CA ASN A 38 7.088 7.499 -4.377 1.00 0.00 C ATOM 610 C ASN A 38 7.626 6.210 -3.773 1.00 0.00 C ATOM 611 O ASN A 38 7.593 5.161 -4.384 1.00 0.00 O ATOM 612 CB ASN A 38 8.214 8.339 -4.984 1.00 0.00 C ATOM 613 CG ASN A 38 8.936 7.529 -6.064 1.00 0.00 C ATOM 614 OD1 ASN A 38 8.331 6.514 -6.617 1.00 0.00 O flip ATOM 615 ND2 ASN A 38 10.063 7.825 -6.408 1.00 0.00 N flip ATOM 0 H ASN A 38 7.129 8.997 -2.856 1.00 0.00 H new ATOM 0 HA ASN A 38 6.361 7.209 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.807 9.255 -5.413 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.918 8.637 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.536 8.619 -5.976 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.536 7.280 -7.129 1.00 0.00 H new ATOM 622 N GLU A 39 8.092 6.277 -2.567 1.00 0.00 N ATOM 623 CA GLU A 39 8.602 5.044 -1.910 1.00 0.00 C ATOM 624 C GLU A 39 7.409 4.218 -1.436 1.00 0.00 C ATOM 625 O GLU A 39 7.512 3.041 -1.152 1.00 0.00 O ATOM 626 CB GLU A 39 9.485 5.528 -0.744 1.00 0.00 C ATOM 627 CG GLU A 39 8.700 5.527 0.572 1.00 0.00 C ATOM 628 CD GLU A 39 9.624 5.945 1.719 1.00 0.00 C ATOM 629 OE1 GLU A 39 10.743 6.340 1.437 1.00 0.00 O ATOM 630 OE2 GLU A 39 9.197 5.859 2.859 1.00 0.00 O ATOM 0 H GLU A 39 8.144 7.127 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 39 9.186 4.406 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.359 4.883 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.852 6.533 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.855 6.212 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.292 4.535 0.763 1.00 0.00 H new ATOM 637 N ALA A 40 6.269 4.840 -1.381 1.00 0.00 N ATOM 638 CA ALA A 40 5.035 4.128 -0.962 1.00 0.00 C ATOM 639 C ALA A 40 4.363 3.540 -2.203 1.00 0.00 C ATOM 640 O ALA A 40 3.998 2.382 -2.231 1.00 0.00 O ATOM 641 CB ALA A 40 4.155 5.200 -0.318 1.00 0.00 C ATOM 0 H ALA A 40 6.138 5.825 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 40 5.225 3.308 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.221 4.750 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.676 5.635 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.939 5.980 -1.048 1.00 0.00 H new ATOM 647 N PHE A 41 4.218 4.322 -3.243 1.00 0.00 N ATOM 648 CA PHE A 41 3.594 3.784 -4.483 1.00 0.00 C ATOM 649 C PHE A 41 4.325 2.506 -4.895 1.00 0.00 C ATOM 650 O PHE A 41 3.746 1.595 -5.454 1.00 0.00 O ATOM 651 CB PHE A 41 3.782 4.877 -5.534 1.00 0.00 C ATOM 652 CG PHE A 41 3.522 4.303 -6.906 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.551 3.652 -7.598 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.254 4.422 -7.484 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.309 3.118 -8.870 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.012 3.888 -8.756 1.00 0.00 C ATOM 657 CZ PHE A 41 3.039 3.237 -9.449 1.00 0.00 C ATOM 0 H PHE A 41 4.503 5.301 -3.285 1.00 0.00 H new ATOM 0 HA PHE A 41 2.541 3.535 -4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.101 5.705 -5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.794 5.278 -5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.530 3.562 -7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.462 4.925 -6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.101 2.615 -9.404 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.033 3.979 -9.202 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.852 2.826 -10.430 1.00 0.00 H new ATOM 667 N ARG A 42 5.601 2.432 -4.616 1.00 0.00 N ATOM 668 CA ARG A 42 6.380 1.214 -4.979 1.00 0.00 C ATOM 669 C ARG A 42 6.032 0.066 -4.028 1.00 0.00 C ATOM 670 O ARG A 42 5.516 -0.955 -4.434 1.00 0.00 O ATOM 671 CB ARG A 42 7.846 1.615 -4.813 1.00 0.00 C ATOM 672 CG ARG A 42 8.232 2.608 -5.908 1.00 0.00 C ATOM 673 CD ARG A 42 9.705 2.992 -5.749 1.00 0.00 C ATOM 674 NE ARG A 42 10.355 2.550 -7.015 1.00 0.00 N ATOM 675 CZ ARG A 42 11.504 3.057 -7.371 1.00 0.00 C ATOM 676 NH1 ARG A 42 11.738 4.328 -7.200 1.00 0.00 N ATOM 677 NH2 ARG A 42 12.419 2.291 -7.902 1.00 0.00 N ATOM 0 H ARG A 42 6.137 3.165 -4.151 1.00 0.00 H new ATOM 0 HA ARG A 42 6.163 0.872 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.003 2.062 -3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.483 0.732 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.064 2.167 -6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.604 3.497 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.820 4.066 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.150 2.501 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 42 9.902 1.851 -7.604 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.023 4.927 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.636 4.723 -7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.236 1.297 -8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.317 2.687 -8.180 1.00 0.00 H new ATOM 691 N ALA A 43 6.312 0.227 -2.762 1.00 0.00 N ATOM 692 CA ALA A 43 5.997 -0.855 -1.784 1.00 0.00 C ATOM 693 C ALA A 43 4.623 -1.456 -2.078 1.00 0.00 C ATOM 694 O ALA A 43 4.487 -2.649 -2.251 1.00 0.00 O ATOM 695 CB ALA A 43 6.002 -0.171 -0.417 1.00 0.00 C ATOM 0 H ALA A 43 6.745 1.060 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 43 6.716 -1.673 -1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.778 -0.904 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.984 0.264 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.248 0.616 -0.401 1.00 0.00 H new ATOM 701 N LEU A 44 3.603 -0.645 -2.141 1.00 0.00 N ATOM 702 CA LEU A 44 2.246 -1.188 -2.427 1.00 0.00 C ATOM 703 C LEU A 44 2.216 -1.777 -3.836 1.00 0.00 C ATOM 704 O LEU A 44 1.616 -2.805 -4.080 1.00 0.00 O ATOM 705 CB LEU A 44 1.302 0.007 -2.313 1.00 0.00 C ATOM 706 CG LEU A 44 1.049 0.322 -0.839 1.00 0.00 C ATOM 707 CD1 LEU A 44 0.813 1.824 -0.671 1.00 0.00 C ATOM 708 CD2 LEU A 44 -0.186 -0.444 -0.359 1.00 0.00 C ATOM 0 H LEU A 44 3.650 0.365 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 44 1.960 -1.985 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.735 0.874 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.360 -0.212 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 44 1.916 0.022 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.633 2.049 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.692 2.371 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.054 2.124 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.367 -0.220 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.052 -0.144 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.019 -1.515 -0.478 1.00 0.00 H new ATOM 720 N HIS A 45 2.880 -1.144 -4.763 1.00 0.00 N ATOM 721 CA HIS A 45 2.911 -1.681 -6.148 1.00 0.00 C ATOM 722 C HIS A 45 3.706 -2.983 -6.150 1.00 0.00 C ATOM 723 O HIS A 45 3.406 -3.912 -6.874 1.00 0.00 O ATOM 724 CB HIS A 45 3.619 -0.607 -6.971 1.00 0.00 C ATOM 725 CG HIS A 45 4.001 -1.175 -8.311 1.00 0.00 C ATOM 726 ND1 HIS A 45 5.259 -0.990 -8.863 1.00 0.00 N ATOM 727 CD2 HIS A 45 3.300 -1.926 -9.220 1.00 0.00 C ATOM 728 CE1 HIS A 45 5.276 -1.619 -10.054 1.00 0.00 C ATOM 729 NE2 HIS A 45 4.107 -2.206 -10.319 1.00 0.00 N ATOM 0 H HIS A 45 3.401 -0.279 -4.620 1.00 0.00 H new ATOM 0 HA HIS A 45 1.921 -1.898 -6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.966 0.256 -7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.507 -0.257 -6.445 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.277 -2.251 -9.101 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.131 -1.645 -10.714 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.858 -2.744 -11.149 1.00 0.00 H new ATOM 737 N THR A 46 4.707 -3.061 -5.316 1.00 0.00 N ATOM 738 CA THR A 46 5.516 -4.305 -5.233 1.00 0.00 C ATOM 739 C THR A 46 4.736 -5.328 -4.404 1.00 0.00 C ATOM 740 O THR A 46 4.738 -6.511 -4.684 1.00 0.00 O ATOM 741 CB THR A 46 6.832 -3.870 -4.551 1.00 0.00 C ATOM 742 OG1 THR A 46 7.913 -4.093 -5.445 1.00 0.00 O ATOM 743 CG2 THR A 46 7.080 -4.657 -3.256 1.00 0.00 C ATOM 0 H THR A 46 4.998 -2.313 -4.687 1.00 0.00 H new ATOM 0 HA THR A 46 5.726 -4.772 -6.195 1.00 0.00 H new ATOM 0 HB THR A 46 6.753 -2.813 -4.298 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.752 -3.817 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.014 -4.326 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.258 -4.484 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.145 -5.721 -3.484 1.00 0.00 H new ATOM 751 N LEU A 47 4.052 -4.866 -3.394 1.00 0.00 N ATOM 752 CA LEU A 47 3.249 -5.786 -2.548 1.00 0.00 C ATOM 753 C LEU A 47 1.991 -6.205 -3.314 1.00 0.00 C ATOM 754 O LEU A 47 1.589 -7.351 -3.291 1.00 0.00 O ATOM 755 CB LEU A 47 2.893 -4.961 -1.313 1.00 0.00 C ATOM 756 CG LEU A 47 3.830 -5.336 -0.167 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.995 -4.138 0.770 1.00 0.00 C ATOM 758 CD2 LEU A 47 3.241 -6.515 0.608 1.00 0.00 C ATOM 0 H LEU A 47 4.016 -3.885 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 47 3.779 -6.700 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.979 -3.897 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.858 -5.144 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 47 4.803 -5.617 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.664 -4.405 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.416 -3.299 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.023 -3.855 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.910 -6.783 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.268 -6.235 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.125 -7.368 -0.060 1.00 0.00 H new ATOM 770 N LYS A 48 1.381 -5.283 -4.010 1.00 0.00 N ATOM 771 CA LYS A 48 0.165 -5.621 -4.796 1.00 0.00 C ATOM 772 C LYS A 48 0.510 -6.708 -5.816 1.00 0.00 C ATOM 773 O LYS A 48 -0.297 -7.556 -6.139 1.00 0.00 O ATOM 774 CB LYS A 48 -0.213 -4.319 -5.501 1.00 0.00 C ATOM 775 CG LYS A 48 -1.329 -4.588 -6.508 1.00 0.00 C ATOM 776 CD LYS A 48 -0.928 -4.022 -7.869 1.00 0.00 C ATOM 777 CE LYS A 48 -0.189 -5.097 -8.666 1.00 0.00 C ATOM 778 NZ LYS A 48 0.151 -4.452 -9.966 1.00 0.00 N ATOM 0 H LYS A 48 1.676 -4.308 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.652 -5.999 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.539 -3.579 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.657 -3.903 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.513 -5.659 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.258 -4.129 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.813 -3.693 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.291 -3.147 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.709 -5.428 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.814 -5.977 -8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.661 -5.130 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.723 -4.154 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.753 -3.621 -9.794 1.00 0.00 H new ATOM 792 N GLY A 49 1.718 -6.693 -6.315 1.00 0.00 N ATOM 793 CA GLY A 49 2.128 -7.728 -7.303 1.00 0.00 C ATOM 794 C GLY A 49 2.382 -9.044 -6.568 1.00 0.00 C ATOM 795 O GLY A 49 2.064 -10.111 -7.054 1.00 0.00 O ATOM 0 H GLY A 49 2.437 -6.008 -6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.350 -7.861 -8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.028 -7.411 -7.829 1.00 0.00 H new ATOM 799 N MET A 50 2.945 -8.973 -5.392 1.00 0.00 N ATOM 800 CA MET A 50 3.208 -10.217 -4.616 1.00 0.00 C ATOM 801 C MET A 50 1.878 -10.856 -4.213 1.00 0.00 C ATOM 802 O MET A 50 1.813 -12.015 -3.858 1.00 0.00 O ATOM 803 CB MET A 50 3.987 -9.760 -3.382 1.00 0.00 C ATOM 804 CG MET A 50 5.488 -9.839 -3.665 1.00 0.00 C ATOM 805 SD MET A 50 6.324 -8.429 -2.899 1.00 0.00 S ATOM 806 CE MET A 50 5.540 -8.556 -1.272 1.00 0.00 C ATOM 0 H MET A 50 3.234 -8.107 -4.936 1.00 0.00 H new ATOM 0 HA MET A 50 3.765 -10.960 -5.186 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.709 -8.739 -3.122 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.734 -10.387 -2.527 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.894 -10.772 -3.274 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.666 -9.840 -4.740 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.930 -7.776 -0.618 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.462 -8.435 -1.377 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.755 -9.533 -0.840 1.00 0.00 H new ATOM 816 N ALA A 51 0.815 -10.102 -4.277 1.00 0.00 N ATOM 817 CA ALA A 51 -0.520 -10.651 -3.913 1.00 0.00 C ATOM 818 C ALA A 51 -1.191 -11.233 -5.155 1.00 0.00 C ATOM 819 O ALA A 51 -2.022 -12.116 -5.073 1.00 0.00 O ATOM 820 CB ALA A 51 -1.306 -9.452 -3.389 1.00 0.00 C ATOM 0 H ALA A 51 0.815 -9.124 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.460 -11.450 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.306 -9.772 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.793 -9.031 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.380 -8.696 -4.171 1.00 0.00 H new ATOM 826 N GLY A 52 -0.818 -10.754 -6.308 1.00 0.00 N ATOM 827 CA GLY A 52 -1.410 -11.285 -7.564 1.00 0.00 C ATOM 828 C GLY A 52 -0.571 -12.477 -8.003 1.00 0.00 C ATOM 829 O GLY A 52 -1.035 -13.374 -8.678 1.00 0.00 O ATOM 0 H GLY A 52 -0.126 -10.015 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.445 -11.585 -7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.418 -10.517 -8.338 1.00 0.00 H new ATOM 871 N PHE A 56 -3.651 -14.601 -5.024 1.00 0.00 N ATOM 872 CA PHE A 56 -4.684 -13.789 -4.322 1.00 0.00 C ATOM 873 C PHE A 56 -4.718 -12.371 -4.894 1.00 0.00 C ATOM 874 O PHE A 56 -4.510 -11.402 -4.190 1.00 0.00 O ATOM 875 CB PHE A 56 -4.244 -13.773 -2.856 1.00 0.00 C ATOM 876 CG PHE A 56 -4.038 -15.192 -2.377 1.00 0.00 C ATOM 877 CD1 PHE A 56 -4.787 -16.235 -2.935 1.00 0.00 C ATOM 878 CD2 PHE A 56 -3.100 -15.463 -1.374 1.00 0.00 C ATOM 879 CE1 PHE A 56 -4.597 -17.549 -2.490 1.00 0.00 C ATOM 880 CE2 PHE A 56 -2.910 -16.778 -0.929 1.00 0.00 C ATOM 881 CZ PHE A 56 -3.659 -17.821 -1.488 1.00 0.00 C ATOM 0 HA PHE A 56 -5.687 -14.200 -4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.321 -13.204 -2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.998 -13.277 -2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.511 -16.026 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.523 -14.658 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.175 -18.353 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.186 -16.987 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.513 -18.835 -1.146 1.00 0.00 H new ATOM 891 N SER A 57 -4.979 -12.240 -6.168 1.00 0.00 N ATOM 892 CA SER A 57 -5.025 -10.879 -6.774 1.00 0.00 C ATOM 893 C SER A 57 -6.165 -10.075 -6.162 1.00 0.00 C ATOM 894 O SER A 57 -6.228 -8.869 -6.284 1.00 0.00 O ATOM 895 CB SER A 57 -5.263 -11.098 -8.265 1.00 0.00 C ATOM 896 OG SER A 57 -4.700 -12.344 -8.656 1.00 0.00 O ATOM 0 H SER A 57 -5.161 -13.011 -6.810 1.00 0.00 H new ATOM 0 HA SER A 57 -4.105 -10.322 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.332 -11.086 -8.479 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.814 -10.288 -8.839 1.00 0.00 H new ATOM 0 HG SER A 57 -4.854 -12.486 -9.613 1.00 0.00 H new ATOM 902 N SER A 58 -7.049 -10.739 -5.484 1.00 0.00 N ATOM 903 CA SER A 58 -8.181 -10.030 -4.834 1.00 0.00 C ATOM 904 C SER A 58 -7.608 -9.117 -3.763 1.00 0.00 C ATOM 905 O SER A 58 -8.027 -7.992 -3.589 1.00 0.00 O ATOM 906 CB SER A 58 -9.039 -11.130 -4.210 1.00 0.00 C ATOM 907 OG SER A 58 -9.491 -12.008 -5.233 1.00 0.00 O ATOM 0 H SER A 58 -7.038 -11.750 -5.350 1.00 0.00 H new ATOM 0 HA SER A 58 -8.769 -9.423 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.461 -11.683 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.890 -10.692 -3.688 1.00 0.00 H new ATOM 0 HG SER A 58 -10.040 -12.716 -4.837 1.00 0.00 H new ATOM 913 N MET A 59 -6.620 -9.594 -3.063 1.00 0.00 N ATOM 914 CA MET A 59 -5.981 -8.760 -2.023 1.00 0.00 C ATOM 915 C MET A 59 -4.956 -7.850 -2.691 1.00 0.00 C ATOM 916 O MET A 59 -4.554 -6.839 -2.149 1.00 0.00 O ATOM 917 CB MET A 59 -5.305 -9.752 -1.077 1.00 0.00 C ATOM 918 CG MET A 59 -4.578 -8.992 0.034 1.00 0.00 C ATOM 919 SD MET A 59 -3.298 -10.053 0.750 1.00 0.00 S ATOM 920 CE MET A 59 -2.442 -10.421 -0.799 1.00 0.00 C ATOM 0 H MET A 59 -6.229 -10.530 -3.170 1.00 0.00 H new ATOM 0 HA MET A 59 -6.684 -8.125 -1.484 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.048 -10.422 -0.646 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.599 -10.372 -1.629 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.130 -8.082 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.286 -8.687 0.805 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.378 -10.554 -0.604 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.849 -11.335 -1.231 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.583 -9.596 -1.497 1.00 0.00 H new ATOM 930 N ALA A 60 -4.548 -8.194 -3.883 1.00 0.00 N ATOM 931 CA ALA A 60 -3.571 -7.341 -4.606 1.00 0.00 C ATOM 932 C ALA A 60 -4.299 -6.119 -5.153 1.00 0.00 C ATOM 933 O ALA A 60 -3.785 -5.020 -5.142 1.00 0.00 O ATOM 934 CB ALA A 60 -3.043 -8.207 -5.749 1.00 0.00 C ATOM 0 H ALA A 60 -4.851 -9.029 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.759 -6.992 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.314 -7.640 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.568 -9.099 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.870 -8.501 -6.395 1.00 0.00 H new ATOM 940 N LYS A 61 -5.510 -6.297 -5.605 1.00 0.00 N ATOM 941 CA LYS A 61 -6.277 -5.134 -6.120 1.00 0.00 C ATOM 942 C LYS A 61 -6.476 -4.160 -4.971 1.00 0.00 C ATOM 943 O LYS A 61 -6.567 -2.961 -5.152 1.00 0.00 O ATOM 944 CB LYS A 61 -7.611 -5.713 -6.587 1.00 0.00 C ATOM 945 CG LYS A 61 -7.400 -6.512 -7.869 1.00 0.00 C ATOM 946 CD LYS A 61 -8.212 -7.803 -7.787 1.00 0.00 C ATOM 947 CE LYS A 61 -9.678 -7.498 -8.096 1.00 0.00 C ATOM 948 NZ LYS A 61 -10.129 -8.623 -8.960 1.00 0.00 N ATOM 0 H LYS A 61 -5.997 -7.193 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.780 -4.603 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.032 -6.354 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.327 -4.910 -6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.711 -5.926 -8.734 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.342 -6.740 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.824 -8.536 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.121 -8.241 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.270 -7.439 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.783 -6.541 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.128 -8.486 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.551 -8.650 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.023 -9.520 -8.445 1.00 0.00 H new ATOM 962 N LEU A 62 -6.514 -4.682 -3.781 1.00 0.00 N ATOM 963 CA LEU A 62 -6.673 -3.819 -2.587 1.00 0.00 C ATOM 964 C LEU A 62 -5.403 -2.993 -2.405 1.00 0.00 C ATOM 965 O LEU A 62 -5.444 -1.842 -2.020 1.00 0.00 O ATOM 966 CB LEU A 62 -6.848 -4.795 -1.428 1.00 0.00 C ATOM 967 CG LEU A 62 -6.680 -4.050 -0.105 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.549 -2.790 -0.116 1.00 0.00 C ATOM 969 CD2 LEU A 62 -7.113 -4.960 1.046 1.00 0.00 C ATOM 0 H LEU A 62 -6.441 -5.680 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.512 -3.127 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.834 -5.258 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.115 -5.598 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.635 -3.768 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.430 -2.258 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.242 -2.144 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.594 -3.070 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.994 -4.432 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.158 -5.240 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.495 -5.858 1.052 1.00 0.00 H new ATOM 981 N CYS A 63 -4.270 -3.579 -2.690 1.00 0.00 N ATOM 982 CA CYS A 63 -2.986 -2.841 -2.548 1.00 0.00 C ATOM 983 C CYS A 63 -2.809 -1.880 -3.724 1.00 0.00 C ATOM 984 O CYS A 63 -2.268 -0.801 -3.583 1.00 0.00 O ATOM 985 CB CYS A 63 -1.903 -3.919 -2.569 1.00 0.00 C ATOM 986 SG CYS A 63 -2.106 -5.007 -1.137 1.00 0.00 S ATOM 0 H CYS A 63 -4.181 -4.541 -3.016 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.946 -2.246 -1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.968 -4.497 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.916 -3.458 -2.552 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.078 -5.841 -1.360 1.00 0.00 H new ATOM 992 N HIS A 64 -3.276 -2.259 -4.884 1.00 0.00 N ATOM 993 CA HIS A 64 -3.149 -1.360 -6.064 1.00 0.00 C ATOM 994 C HIS A 64 -3.948 -0.089 -5.796 1.00 0.00 C ATOM 995 O HIS A 64 -3.620 0.984 -6.259 1.00 0.00 O ATOM 996 CB HIS A 64 -3.756 -2.140 -7.232 1.00 0.00 C ATOM 997 CG HIS A 64 -3.654 -1.324 -8.492 1.00 0.00 C ATOM 998 ND1 HIS A 64 -2.441 -1.063 -9.109 1.00 0.00 N ATOM 999 CD2 HIS A 64 -4.608 -0.707 -9.264 1.00 0.00 C ATOM 1000 CE1 HIS A 64 -2.694 -0.317 -10.202 1.00 0.00 C ATOM 1001 NE2 HIS A 64 -3.999 -0.072 -10.342 1.00 0.00 N ATOM 0 H HIS A 64 -3.738 -3.150 -5.064 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.119 -1.073 -6.274 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.235 -3.089 -7.358 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.800 -2.375 -7.022 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.669 -0.714 -9.065 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.934 0.039 -10.882 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.452 0.465 -11.081 1.00 0.00 H new ATOM 1009 N THR A 65 -4.998 -0.219 -5.037 1.00 0.00 N ATOM 1010 CA THR A 65 -5.841 0.963 -4.707 1.00 0.00 C ATOM 1011 C THR A 65 -5.079 1.902 -3.756 1.00 0.00 C ATOM 1012 O THR A 65 -4.940 3.080 -4.018 1.00 0.00 O ATOM 1013 CB THR A 65 -7.101 0.365 -4.058 1.00 0.00 C ATOM 1014 OG1 THR A 65 -8.164 0.391 -4.999 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.508 1.159 -2.816 1.00 0.00 C ATOM 0 H THR A 65 -5.311 -1.099 -4.628 1.00 0.00 H new ATOM 0 HA THR A 65 -6.098 1.570 -5.575 1.00 0.00 H new ATOM 0 HB THR A 65 -6.884 -0.660 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.245 -0.487 -5.426 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.401 0.715 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.697 1.137 -2.088 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.716 2.192 -3.096 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.567 1.390 -2.666 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.798 2.270 -1.732 1.00 0.00 C ATOM 1025 C LEU A 66 -2.699 2.959 -2.535 1.00 0.00 C ATOM 1026 O LEU A 66 -2.531 4.165 -2.499 1.00 0.00 O ATOM 1027 CB LEU A 66 -3.162 1.349 -0.677 1.00 0.00 C ATOM 1028 CG LEU A 66 -4.124 0.237 -0.241 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -3.574 -0.427 1.022 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -5.509 0.814 0.065 1.00 0.00 C ATOM 0 H LEU A 66 -4.646 0.413 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.431 3.020 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.253 0.905 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.869 1.939 0.192 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.214 -0.490 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.251 -1.220 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.592 -0.851 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.486 0.316 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.178 0.010 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.429 1.547 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.908 1.296 -0.828 1.00 0.00 H new ATOM 1042 N GLU A 67 -1.960 2.186 -3.282 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.876 2.762 -4.113 1.00 0.00 C ATOM 1044 C GLU A 67 -1.476 3.753 -5.088 1.00 0.00 C ATOM 1045 O GLU A 67 -0.928 4.807 -5.337 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.269 1.562 -4.847 1.00 0.00 C ATOM 1047 CG GLU A 67 0.423 2.024 -6.133 1.00 0.00 C ATOM 1048 CD GLU A 67 -0.576 1.985 -7.290 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -0.948 0.893 -7.688 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -0.952 3.046 -7.759 1.00 0.00 O ATOM 0 H GLU A 67 -2.065 1.174 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.122 3.295 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.448 1.056 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.049 0.839 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.811 3.035 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.275 1.380 -6.352 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.609 3.441 -5.629 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.232 4.395 -6.561 1.00 0.00 C ATOM 1059 C ASN A 68 -3.257 5.767 -5.897 1.00 0.00 C ATOM 1060 O ASN A 68 -2.807 6.740 -6.450 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.647 3.879 -6.781 1.00 0.00 C ATOM 1062 CG ASN A 68 -5.046 4.076 -8.244 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -6.130 4.541 -8.534 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -4.209 3.738 -9.185 1.00 0.00 N ATOM 0 H ASN A 68 -3.124 2.576 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.697 4.484 -7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.704 2.823 -6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.343 4.408 -6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.465 3.864 -10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.299 3.348 -8.942 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.739 5.842 -4.689 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.759 7.166 -3.991 1.00 0.00 C ATOM 1073 C ILE A 69 -2.351 7.725 -3.989 1.00 0.00 C ATOM 1074 O ILE A 69 -2.130 8.917 -3.903 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.231 6.943 -2.547 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.196 5.762 -2.455 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.941 8.204 -2.051 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.304 5.900 -3.497 1.00 0.00 C ATOM 0 H ILE A 69 -4.116 5.058 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.430 7.863 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.358 6.725 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.655 4.829 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.630 5.716 -1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.279 8.052 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.251 9.047 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.800 8.413 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.984 5.052 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.855 6.824 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.865 5.923 -4.494 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.403 6.858 -4.126 1.00 0.00 N ATOM 1091 CA LEU A 70 0.009 7.309 -4.184 1.00 0.00 C ATOM 1092 C LEU A 70 0.287 7.674 -5.617 1.00 0.00 C ATOM 1093 O LEU A 70 1.068 8.553 -5.925 1.00 0.00 O ATOM 1094 CB LEU A 70 0.863 6.122 -3.731 1.00 0.00 C ATOM 1095 CG LEU A 70 0.263 5.515 -2.465 1.00 0.00 C ATOM 1096 CD1 LEU A 70 1.259 4.533 -1.848 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.042 6.629 -1.461 1.00 0.00 C ATOM 0 H LEU A 70 -1.541 5.850 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 70 0.224 8.169 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.909 5.372 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.886 6.448 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.658 4.989 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.830 4.100 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.478 3.739 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.180 5.059 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.470 6.197 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.879 7.155 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.752 7.330 -1.900 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.405 7.026 -6.495 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.261 7.345 -7.924 1.00 0.00 C ATOM 1111 C ASP A 71 -1.055 8.616 -8.191 1.00 0.00 C ATOM 1112 O ASP A 71 -0.657 9.450 -8.978 1.00 0.00 O ATOM 1113 CB ASP A 71 -0.850 6.150 -8.679 1.00 0.00 C ATOM 1114 CG ASP A 71 -1.024 6.513 -10.154 1.00 0.00 C ATOM 1115 OD1 ASP A 71 -0.504 7.540 -10.557 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -1.675 5.757 -10.858 1.00 0.00 O ATOM 0 H ASP A 71 -1.070 6.283 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 71 0.770 7.512 -8.235 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.193 5.285 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.811 5.871 -8.247 1.00 0.00 H new ATOM 1121 N LYS A 72 -2.167 8.797 -7.518 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.931 10.029 -7.730 1.00 0.00 C ATOM 1123 C LYS A 72 -2.073 11.164 -7.201 1.00 0.00 C ATOM 1124 O LYS A 72 -1.965 12.227 -7.779 1.00 0.00 O ATOM 1125 CB LYS A 72 -4.190 9.864 -6.886 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.955 8.588 -7.215 1.00 0.00 C ATOM 1127 CD LYS A 72 -4.993 8.406 -8.709 1.00 0.00 C ATOM 1128 CE LYS A 72 -3.729 7.692 -9.155 1.00 0.00 C ATOM 1129 NZ LYS A 72 -4.154 6.787 -10.259 1.00 0.00 N ATOM 0 H LYS A 72 -2.561 8.143 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.190 10.229 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.917 9.857 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.842 10.724 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.475 7.730 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.968 8.644 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.872 7.828 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.073 9.374 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.976 8.402 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.286 7.129 -8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.363 6.166 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.958 6.208 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.439 7.354 -11.083 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.436 10.897 -6.103 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.527 11.885 -5.477 1.00 0.00 C ATOM 1145 C ALA A 73 0.631 12.179 -6.426 1.00 0.00 C ATOM 1146 O ALA A 73 1.105 13.294 -6.522 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.013 11.178 -4.224 1.00 0.00 C ATOM 0 H ALA A 73 -1.510 10.012 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.014 12.833 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.673 11.836 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.854 10.928 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.509 10.265 -4.510 1.00 0.00 H new ATOM 1153 N ARG A 74 1.090 11.179 -7.128 1.00 0.00 N ATOM 1154 CA ARG A 74 2.218 11.397 -8.070 1.00 0.00 C ATOM 1155 C ARG A 74 1.689 11.932 -9.404 1.00 0.00 C ATOM 1156 O ARG A 74 2.435 12.434 -10.222 1.00 0.00 O ATOM 1157 CB ARG A 74 2.892 10.019 -8.228 1.00 0.00 C ATOM 1158 CG ARG A 74 2.337 9.266 -9.446 1.00 0.00 C ATOM 1159 CD ARG A 74 3.229 8.061 -9.752 1.00 0.00 C ATOM 1160 NE ARG A 74 2.997 7.772 -11.195 1.00 0.00 N ATOM 1161 CZ ARG A 74 4.002 7.472 -11.972 1.00 0.00 C ATOM 1162 NH1 ARG A 74 4.934 6.663 -11.549 1.00 0.00 N ATOM 1163 NH2 ARG A 74 4.075 7.980 -13.172 1.00 0.00 N ATOM 0 H ARG A 74 0.732 10.225 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 74 2.932 12.136 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.969 10.148 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.731 9.427 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.317 8.936 -9.249 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.296 9.930 -10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.278 8.286 -9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.965 7.206 -9.130 1.00 0.00 H new ATOM 0 HE ARG A 74 2.052 7.809 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.877 6.265 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.720 6.428 -12.156 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.346 8.612 -13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.861 7.745 -13.778 1.00 0.00 H new ATOM 1177 N ASN A 75 0.407 11.828 -9.631 1.00 0.00 N ATOM 1178 CA ASN A 75 -0.156 12.336 -10.914 1.00 0.00 C ATOM 1179 C ASN A 75 -0.663 13.767 -10.727 1.00 0.00 C ATOM 1180 O ASN A 75 -1.349 14.309 -11.571 1.00 0.00 O ATOM 1181 CB ASN A 75 -1.315 11.395 -11.248 1.00 0.00 C ATOM 1182 CG ASN A 75 -0.970 10.575 -12.494 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -1.179 11.087 -13.676 1.00 0.00 O flip ATOM 1184 ND2 ASN A 75 -0.508 9.456 -12.390 1.00 0.00 N flip ATOM 0 H ASN A 75 -0.270 11.416 -8.989 1.00 0.00 H new ATOM 0 HA ASN A 75 0.586 12.357 -11.712 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.511 10.731 -10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.225 11.970 -11.419 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.345 9.056 -11.466 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.284 8.917 -13.226 1.00 0.00 H new ATOM 1191 N SER A 76 -0.339 14.380 -9.621 1.00 0.00 N ATOM 1192 CA SER A 76 -0.810 15.769 -9.378 1.00 0.00 C ATOM 1193 C SER A 76 -2.330 15.768 -9.228 1.00 0.00 C ATOM 1194 O SER A 76 -3.002 16.724 -9.564 1.00 0.00 O ATOM 1195 CB SER A 76 -0.384 16.557 -10.617 1.00 0.00 C ATOM 1196 OG SER A 76 -1.520 16.789 -11.441 1.00 0.00 O ATOM 0 H SER A 76 0.231 13.978 -8.877 1.00 0.00 H new ATOM 0 HA SER A 76 -0.395 16.205 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.065 17.505 -10.322 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.374 16.004 -11.171 1.00 0.00 H new ATOM 0 HG SER A 76 -1.779 15.954 -11.883 1.00 0.00 H new ATOM 1202 N GLU A 77 -2.877 14.691 -8.731 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.354 14.616 -8.564 1.00 0.00 C ATOM 1204 C GLU A 77 -4.737 14.793 -7.102 1.00 0.00 C ATOM 1205 O GLU A 77 -5.591 15.585 -6.757 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.740 13.221 -9.056 1.00 0.00 C ATOM 1207 CG GLU A 77 -4.389 13.085 -10.539 1.00 0.00 C ATOM 1208 CD GLU A 77 -5.170 14.122 -11.348 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -4.670 15.226 -11.498 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -6.252 13.796 -11.806 1.00 0.00 O ATOM 0 H GLU A 77 -2.364 13.861 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.868 15.401 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.215 12.462 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.807 13.054 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.318 13.227 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.628 12.081 -10.889 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.113 14.054 -6.247 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.440 14.164 -4.786 1.00 0.00 C ATOM 1219 C ILE A 78 -3.183 14.102 -3.924 1.00 0.00 C ATOM 1220 O ILE A 78 -2.083 14.331 -4.378 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.326 12.957 -4.478 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.659 11.692 -4.957 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.643 13.075 -5.233 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.947 10.952 -3.831 1.00 0.00 C ATOM 0 H ILE A 78 -3.389 13.375 -6.481 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.926 15.115 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.492 12.927 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.406 11.037 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.941 11.936 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.269 12.212 -5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.158 13.986 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.446 13.112 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.483 10.048 -4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.180 11.596 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.668 10.682 -3.060 1.00 0.00 H new ATOM 1236 N LYS A 79 -3.359 13.793 -2.670 1.00 0.00 N ATOM 1237 CA LYS A 79 -2.214 13.696 -1.742 1.00 0.00 C ATOM 1238 C LYS A 79 -2.717 13.163 -0.399 1.00 0.00 C ATOM 1239 O LYS A 79 -3.906 13.065 -0.176 1.00 0.00 O ATOM 1240 CB LYS A 79 -1.670 15.120 -1.624 1.00 0.00 C ATOM 1241 CG LYS A 79 -2.824 16.120 -1.467 1.00 0.00 C ATOM 1242 CD LYS A 79 -3.370 16.063 -0.040 1.00 0.00 C ATOM 1243 CE LYS A 79 -2.209 16.162 0.951 1.00 0.00 C ATOM 1244 NZ LYS A 79 -2.669 17.114 2.000 1.00 0.00 N ATOM 0 H LYS A 79 -4.267 13.601 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.432 13.018 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.000 15.191 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.084 15.367 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.477 17.128 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.617 15.889 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.074 16.879 0.125 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.917 15.133 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.973 15.188 1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.304 16.522 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.009 17.090 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.700 18.076 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.619 16.841 2.324 1.00 0.00 H new ATOM 1258 N ILE A 80 -1.840 12.795 0.488 1.00 0.00 N ATOM 1259 CA ILE A 80 -2.307 12.251 1.791 1.00 0.00 C ATOM 1260 C ILE A 80 -2.997 13.327 2.614 1.00 0.00 C ATOM 1261 O ILE A 80 -2.378 14.119 3.297 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.052 11.759 2.475 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -0.711 10.377 1.932 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.265 11.680 3.990 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -0.534 10.456 0.414 1.00 0.00 C ATOM 0 H ILE A 80 -0.828 12.846 0.370 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.041 11.455 1.666 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.235 12.453 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.203 10.007 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.503 9.671 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.352 11.324 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.514 12.669 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.081 10.990 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.290 9.468 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.459 10.808 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.273 11.149 0.177 1.00 0.00 H new ATOM 1277 N THR A 81 -4.282 13.325 2.557 1.00 0.00 N ATOM 1278 CA THR A 81 -5.089 14.307 3.333 1.00 0.00 C ATOM 1279 C THR A 81 -5.384 13.739 4.721 1.00 0.00 C ATOM 1280 O THR A 81 -6.229 14.238 5.437 1.00 0.00 O ATOM 1281 CB THR A 81 -6.394 14.438 2.548 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.103 13.209 2.613 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.090 14.776 1.090 1.00 0.00 C ATOM 0 H THR A 81 -4.830 12.673 1.995 1.00 0.00 H new ATOM 0 HA THR A 81 -4.579 15.262 3.461 1.00 0.00 H new ATOM 0 HB THR A 81 -6.999 15.235 2.980 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.926 13.278 2.086 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.024 14.868 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.544 15.718 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.484 13.983 0.651 1.00 0.00 H new ATOM 1291 N SER A 82 -4.725 12.663 5.080 1.00 0.00 N ATOM 1292 CA SER A 82 -4.988 12.003 6.398 1.00 0.00 C ATOM 1293 C SER A 82 -6.286 11.192 6.302 1.00 0.00 C ATOM 1294 O SER A 82 -6.617 10.416 7.176 1.00 0.00 O ATOM 1295 CB SER A 82 -5.121 13.126 7.424 1.00 0.00 C ATOM 1296 OG SER A 82 -4.300 12.836 8.548 1.00 0.00 O ATOM 0 H SER A 82 -4.010 12.210 4.511 1.00 0.00 H new ATOM 0 HA SER A 82 -4.188 11.320 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.826 14.077 6.980 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.161 13.228 7.735 1.00 0.00 H new ATOM 0 HG SER A 82 -4.382 13.556 9.208 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.008 11.352 5.221 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.264 10.588 5.020 1.00 0.00 C ATOM 1304 C ASP A 83 -8.020 9.574 3.915 1.00 0.00 C ATOM 1305 O ASP A 83 -8.391 8.420 4.021 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.298 11.623 4.583 1.00 0.00 C ATOM 1307 CG ASP A 83 -10.671 10.957 4.467 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -10.794 10.031 3.681 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -11.576 11.384 5.164 1.00 0.00 O ATOM 0 H ASP A 83 -6.771 11.991 4.462 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.598 10.055 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.338 12.439 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.011 12.057 3.625 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.352 9.980 2.866 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.047 9.007 1.790 1.00 0.00 C ATOM 1316 C LEU A 84 -6.245 7.892 2.433 1.00 0.00 C ATOM 1317 O LEU A 84 -6.320 6.744 2.048 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.216 9.777 0.761 1.00 0.00 C ATOM 1319 CG LEU A 84 -6.972 11.038 0.328 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -6.356 11.585 -0.959 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -8.446 10.697 0.082 1.00 0.00 C ATOM 0 H LEU A 84 -7.011 10.929 2.714 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.924 8.577 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.251 10.048 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.015 9.146 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.901 11.789 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.894 12.482 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.309 11.832 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.426 10.832 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.981 11.596 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.519 9.944 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.888 10.308 1.000 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.511 8.241 3.455 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.719 7.227 4.200 1.00 0.00 C ATOM 1335 C LEU A 85 -5.678 6.369 5.013 1.00 0.00 C ATOM 1336 O LEU A 85 -5.661 5.161 4.954 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.835 8.032 5.150 1.00 0.00 C ATOM 1338 CG LEU A 85 -2.668 8.647 4.388 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.666 9.225 5.389 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -1.983 7.570 3.545 1.00 0.00 C ATOM 0 H LEU A 85 -5.427 9.195 3.807 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.135 6.581 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.422 8.817 5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.460 7.387 5.945 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.033 9.439 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.828 9.667 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.154 9.991 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.301 8.430 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.148 8.011 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.613 6.778 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.699 7.153 2.837 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.519 7.009 5.776 1.00 0.00 N ATOM 1353 CA ASP A 86 -7.501 6.258 6.614 1.00 0.00 C ATOM 1354 C ASP A 86 -8.057 5.069 5.833 1.00 0.00 C ATOM 1355 O ASP A 86 -8.080 3.955 6.316 1.00 0.00 O ATOM 1356 CB ASP A 86 -8.610 7.261 6.930 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.263 8.020 8.212 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.101 8.348 8.387 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -9.166 8.260 8.998 1.00 0.00 O ATOM 0 H ASP A 86 -6.570 8.024 5.857 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.048 5.859 7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.729 7.960 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.561 6.742 7.048 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.491 5.288 4.623 1.00 0.00 N ATOM 1365 CA LYS A 87 -9.023 4.153 3.822 1.00 0.00 C ATOM 1366 C LYS A 87 -7.852 3.328 3.298 1.00 0.00 C ATOM 1367 O LYS A 87 -7.917 2.118 3.210 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.801 4.789 2.671 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.725 5.879 3.219 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.499 5.337 4.425 1.00 0.00 C ATOM 1371 CE LYS A 87 -12.300 4.102 4.007 1.00 0.00 C ATOM 1372 NZ LYS A 87 -13.710 4.415 4.373 1.00 0.00 N ATOM 0 H LYS A 87 -8.500 6.196 4.158 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.664 3.489 4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.111 5.215 1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.385 4.030 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.141 6.752 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.420 6.205 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.808 5.080 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.169 6.103 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.203 3.912 2.938 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.947 3.209 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.259 3.533 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.731 4.890 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.125 5.040 3.653 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.767 3.977 2.975 1.00 0.00 N ATOM 1387 CA ILE A 88 -5.576 3.233 2.487 1.00 0.00 C ATOM 1388 C ILE A 88 -5.083 2.319 3.615 1.00 0.00 C ATOM 1389 O ILE A 88 -4.856 1.140 3.429 1.00 0.00 O ATOM 1390 CB ILE A 88 -4.558 4.334 2.141 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -4.370 4.401 0.635 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.199 4.079 2.804 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -3.802 5.777 0.282 1.00 0.00 C ATOM 0 H ILE A 88 -6.656 4.989 3.029 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.763 2.595 1.623 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.951 5.278 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.693 3.614 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.321 4.241 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.508 4.878 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.321 4.054 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.801 3.124 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.659 5.846 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.497 6.552 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.845 5.915 0.784 1.00 0.00 H new ATOM 1405 N PHE A 89 -4.935 2.871 4.786 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.480 2.070 5.954 1.00 0.00 C ATOM 1407 C PHE A 89 -5.544 1.046 6.316 1.00 0.00 C ATOM 1408 O PHE A 89 -5.264 -0.003 6.861 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.299 3.088 7.078 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.124 2.691 7.940 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -1.818 2.868 7.468 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -3.342 2.147 9.212 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -0.729 2.501 8.268 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -2.254 1.781 10.011 1.00 0.00 C ATOM 1415 CZ PHE A 89 -0.948 1.956 9.540 1.00 0.00 C ATOM 0 H PHE A 89 -5.112 3.856 4.985 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.560 1.519 5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.136 4.081 6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.204 3.141 7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.650 3.288 6.487 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.350 2.010 9.576 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.279 2.638 7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.422 1.363 10.993 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.109 1.671 10.157 1.00 0.00 H new ATOM 1425 N ALA A 90 -6.762 1.336 5.981 1.00 0.00 N ATOM 1426 CA ALA A 90 -7.859 0.377 6.262 1.00 0.00 C ATOM 1427 C ALA A 90 -7.734 -0.761 5.261 1.00 0.00 C ATOM 1428 O ALA A 90 -8.016 -1.907 5.552 1.00 0.00 O ATOM 1429 CB ALA A 90 -9.156 1.159 6.046 1.00 0.00 C ATOM 0 H ALA A 90 -7.049 2.201 5.522 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.832 -0.040 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.009 0.508 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.187 2.008 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.197 1.518 5.018 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.266 -0.443 4.086 1.00 0.00 N ATOM 1436 CA GLY A 91 -7.066 -1.490 3.060 1.00 0.00 C ATOM 1437 C GLY A 91 -5.899 -2.353 3.521 1.00 0.00 C ATOM 1438 O GLY A 91 -5.944 -3.566 3.472 1.00 0.00 O ATOM 0 H GLY A 91 -7.014 0.502 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.967 -2.092 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.854 -1.042 2.089 1.00 0.00 H new ATOM 1442 N VAL A 92 -4.864 -1.725 4.011 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.703 -2.495 4.523 1.00 0.00 C ATOM 1444 C VAL A 92 -4.167 -3.308 5.730 1.00 0.00 C ATOM 1445 O VAL A 92 -3.587 -4.315 6.085 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.674 -1.435 4.930 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.723 -2.005 5.987 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -1.869 -1.017 3.698 1.00 0.00 C ATOM 0 H VAL A 92 -4.776 -0.711 4.077 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.279 -3.188 3.796 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.193 -0.572 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.995 -1.244 6.270 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.294 -2.306 6.866 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.202 -2.871 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.135 -0.263 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.356 -1.886 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.542 -0.604 2.947 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.228 -2.869 6.351 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.770 -3.598 7.528 1.00 0.00 C ATOM 1460 C ASP A 93 -6.546 -4.822 7.052 1.00 0.00 C ATOM 1461 O ASP A 93 -6.723 -5.778 7.778 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.701 -2.597 8.212 1.00 0.00 C ATOM 1463 CG ASP A 93 -6.348 -2.504 9.698 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -5.615 -3.359 10.166 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -6.815 -1.579 10.342 1.00 0.00 O ATOM 0 H ASP A 93 -5.745 -2.030 6.089 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.993 -3.952 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.607 -1.618 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.739 -2.909 8.093 1.00 0.00 H new ATOM 1470 N MET A 94 -6.997 -4.807 5.831 1.00 0.00 N ATOM 1471 CA MET A 94 -7.743 -5.980 5.306 1.00 0.00 C ATOM 1472 C MET A 94 -6.745 -7.023 4.804 1.00 0.00 C ATOM 1473 O MET A 94 -6.858 -8.195 5.104 1.00 0.00 O ATOM 1474 CB MET A 94 -8.597 -5.436 4.161 1.00 0.00 C ATOM 1475 CG MET A 94 -9.632 -4.460 4.723 1.00 0.00 C ATOM 1476 SD MET A 94 -11.164 -4.589 3.769 1.00 0.00 S ATOM 1477 CE MET A 94 -10.474 -4.102 2.170 1.00 0.00 C ATOM 0 H MET A 94 -6.881 -4.034 5.175 1.00 0.00 H new ATOM 0 HA MET A 94 -8.364 -6.462 6.061 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.966 -4.933 3.428 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.096 -6.255 3.643 1.00 0.00 H new ATOM 0 HG2 MET A 94 -9.825 -4.682 5.772 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.248 -3.441 4.678 1.00 0.00 H new ATOM 0 HE1 MET A 94 -11.270 -3.719 1.531 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.724 -3.326 2.319 1.00 0.00 H new ATOM 0 HE3 MET A 94 -10.012 -4.967 1.695 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.753 -6.606 4.062 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.743 -7.566 3.572 1.00 0.00 C ATOM 1489 C ILE A 95 -4.065 -8.225 4.769 1.00 0.00 C ATOM 1490 O ILE A 95 -3.753 -9.399 4.752 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.764 -6.712 2.778 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -3.214 -5.584 3.658 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -4.485 -6.112 1.574 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -2.038 -4.910 2.946 1.00 0.00 C ATOM 0 H ILE A 95 -5.605 -5.638 3.778 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.158 -8.367 2.960 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.935 -7.335 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.996 -4.853 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.891 -5.983 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.789 -5.499 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.867 -6.914 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.315 -5.494 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.646 -4.108 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.253 -5.645 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.376 -4.497 1.995 1.00 0.00 H new ATOM 1506 N THR A 96 -3.868 -7.485 5.827 1.00 0.00 N ATOM 1507 CA THR A 96 -3.251 -8.083 7.036 1.00 0.00 C ATOM 1508 C THR A 96 -4.202 -9.154 7.548 1.00 0.00 C ATOM 1509 O THR A 96 -3.801 -10.235 7.930 1.00 0.00 O ATOM 1510 CB THR A 96 -3.122 -6.933 8.038 1.00 0.00 C ATOM 1511 OG1 THR A 96 -1.972 -6.160 7.721 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.985 -7.495 9.454 1.00 0.00 C ATOM 0 H THR A 96 -4.108 -6.497 5.902 1.00 0.00 H new ATOM 0 HA THR A 96 -2.278 -8.541 6.857 1.00 0.00 H new ATOM 0 HB THR A 96 -4.011 -6.305 7.985 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.226 -5.425 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.893 -6.673 10.164 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.867 -8.088 9.697 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.097 -8.125 9.511 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.476 -8.862 7.525 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.474 -9.866 7.976 1.00 0.00 C ATOM 1522 C ARG A 97 -6.548 -10.989 6.947 1.00 0.00 C ATOM 1523 O ARG A 97 -6.609 -12.155 7.285 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.797 -9.101 8.048 1.00 0.00 C ATOM 1525 CG ARG A 97 -7.899 -8.321 9.368 1.00 0.00 C ATOM 1526 CD ARG A 97 -6.508 -7.878 9.841 1.00 0.00 C ATOM 1527 NE ARG A 97 -6.751 -7.163 11.122 1.00 0.00 N ATOM 1528 CZ ARG A 97 -5.743 -6.788 11.860 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -4.699 -6.239 11.303 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -5.780 -6.965 13.152 1.00 0.00 N ATOM 0 H ARG A 97 -5.865 -7.972 7.213 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.225 -10.319 8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.872 -8.413 7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.631 -9.798 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.538 -7.449 9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.367 -8.944 10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.848 -8.734 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.030 -7.227 9.109 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.705 -6.966 11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.672 -6.104 10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.910 -5.945 11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.597 -7.396 13.584 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.992 -6.672 13.730 1.00 0.00 H new ATOM 1544 N MET A 98 -6.515 -10.648 5.686 1.00 0.00 N ATOM 1545 CA MET A 98 -6.550 -11.694 4.635 1.00 0.00 C ATOM 1546 C MET A 98 -5.262 -12.499 4.727 1.00 0.00 C ATOM 1547 O MET A 98 -5.236 -13.689 4.500 1.00 0.00 O ATOM 1548 CB MET A 98 -6.618 -10.929 3.314 1.00 0.00 C ATOM 1549 CG MET A 98 -7.976 -10.238 3.192 1.00 0.00 C ATOM 1550 SD MET A 98 -7.760 -8.619 2.414 1.00 0.00 S ATOM 1551 CE MET A 98 -8.787 -8.931 0.957 1.00 0.00 C ATOM 0 H MET A 98 -6.465 -9.689 5.343 1.00 0.00 H new ATOM 0 HA MET A 98 -7.390 -12.382 4.732 1.00 0.00 H new ATOM 0 HB2 MET A 98 -5.817 -10.191 3.268 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.470 -11.613 2.478 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.656 -10.850 2.600 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.427 -10.123 4.177 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.943 -7.998 0.415 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.288 -9.649 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.750 -9.334 1.270 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.192 -11.844 5.083 1.00 0.00 N ATOM 1562 CA VAL A 99 -2.891 -12.546 5.220 1.00 0.00 C ATOM 1563 C VAL A 99 -2.949 -13.488 6.424 1.00 0.00 C ATOM 1564 O VAL A 99 -2.415 -14.579 6.396 1.00 0.00 O ATOM 1565 CB VAL A 99 -1.874 -11.423 5.442 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.646 -11.961 6.180 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.442 -10.857 4.089 1.00 0.00 C ATOM 0 H VAL A 99 -4.166 -10.845 5.286 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.633 -13.155 4.354 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.335 -10.639 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.070 -11.153 6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.950 -12.363 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.182 -12.750 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.718 -10.057 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.987 -11.648 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.312 -10.462 3.565 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.603 -13.079 7.481 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.699 -13.964 8.674 1.00 0.00 C ATOM 1579 C ASP A 100 -4.555 -15.174 8.327 1.00 0.00 C ATOM 1580 O ASP A 100 -4.348 -16.261 8.826 1.00 0.00 O ATOM 1581 CB ASP A 100 -4.366 -13.115 9.757 1.00 0.00 C ATOM 1582 CG ASP A 100 -3.528 -13.167 11.036 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -2.426 -12.644 11.020 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -4.002 -13.729 12.010 1.00 0.00 O ATOM 0 H ASP A 100 -4.071 -12.177 7.567 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.729 -14.333 9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.465 -12.084 9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.373 -13.484 9.954 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.499 -14.996 7.449 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.349 -16.137 7.037 1.00 0.00 C ATOM 1591 C LYS A 101 -5.680 -16.821 5.849 1.00 0.00 C ATOM 1592 O LYS A 101 -5.710 -18.025 5.704 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.709 -15.515 6.688 1.00 0.00 C ATOM 1594 CG LYS A 101 -8.029 -15.621 5.192 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.648 -14.319 4.749 1.00 0.00 C ATOM 1596 CE LYS A 101 -10.106 -14.580 4.381 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.809 -14.772 5.683 1.00 0.00 N ATOM 0 H LYS A 101 -5.717 -14.107 7.000 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.482 -16.901 7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.492 -16.012 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.714 -14.466 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.122 -15.824 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.713 -16.449 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.585 -13.578 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.108 -13.914 3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.528 -13.743 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.201 -15.463 3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.764 -14.364 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.879 -15.788 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.275 -14.298 6.439 1.00 0.00 H new ATOM 1611 N ILE A 102 -5.056 -16.041 5.006 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.361 -16.621 3.835 1.00 0.00 C ATOM 1613 C ILE A 102 -3.215 -17.465 4.367 1.00 0.00 C ATOM 1614 O ILE A 102 -2.876 -18.507 3.841 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.838 -15.418 3.045 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.935 -14.908 2.110 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.620 -15.827 2.215 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.391 -13.748 1.278 1.00 0.00 C ATOM 0 H ILE A 102 -5.001 -15.025 5.084 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.992 -17.248 3.205 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.551 -14.631 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.274 -15.712 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.799 -14.582 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.254 -14.965 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.834 -16.190 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.902 -16.617 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.171 -13.382 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.073 -12.943 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.540 -14.090 0.689 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.639 -17.016 5.441 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.529 -17.777 6.068 1.00 0.00 C ATOM 1632 C VAL A 103 -2.127 -18.980 6.796 1.00 0.00 C ATOM 1633 O VAL A 103 -1.510 -20.017 6.934 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.895 -16.793 7.055 1.00 0.00 C ATOM 1635 CG1 VAL A 103 -0.142 -17.558 8.146 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.086 -15.882 6.312 1.00 0.00 C ATOM 0 H VAL A 103 -2.891 -16.149 5.915 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.792 -18.151 5.357 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.682 -16.193 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.306 -16.850 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.836 -18.206 8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.642 -18.164 7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.537 -15.182 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.867 -16.487 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.446 -15.327 5.539 1.00 0.00 H new ATOM 1646 N SER A 104 -3.340 -18.835 7.257 1.00 0.00 N ATOM 1647 CA SER A 104 -4.013 -19.952 7.978 1.00 0.00 C ATOM 1648 C SER A 104 -4.690 -20.899 6.994 1.00 0.00 C ATOM 1649 O SER A 104 -4.771 -22.093 7.209 1.00 0.00 O ATOM 1650 CB SER A 104 -5.059 -19.272 8.856 1.00 0.00 C ATOM 1651 OG SER A 104 -5.382 -20.120 9.950 1.00 0.00 O ATOM 0 H SER A 104 -3.896 -17.985 7.164 1.00 0.00 H new ATOM 0 HA SER A 104 -3.307 -20.550 8.555 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.678 -18.318 9.221 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.954 -19.056 8.273 1.00 0.00 H new ATOM 0 HG SER A 104 -6.053 -19.683 10.516 1.00 0.00 H new ATOM 1657 N GLU A 105 -5.181 -20.367 5.923 1.00 0.00 N ATOM 1658 CA GLU A 105 -5.874 -21.214 4.908 1.00 0.00 C ATOM 1659 C GLU A 105 -5.382 -20.872 3.499 1.00 0.00 C ATOM 1660 O GLU A 105 -5.286 -21.727 2.642 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.364 -20.874 5.034 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.736 -20.656 6.504 1.00 0.00 C ATOM 1663 CD GLU A 105 -9.126 -21.237 6.772 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -10.095 -20.615 6.368 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -9.198 -22.293 7.378 1.00 0.00 O ATOM 0 H GLU A 105 -5.136 -19.373 5.697 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.679 -22.274 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.589 -19.977 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.965 -21.681 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.000 -21.134 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.724 -19.592 6.739 1.00 0.00 H new ATOM 1672 N GLY A 106 -5.081 -19.628 3.248 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.612 -19.241 1.888 1.00 0.00 C ATOM 1674 C GLY A 106 -5.751 -18.541 1.147 1.00 0.00 C ATOM 1675 O GLY A 106 -5.778 -18.492 -0.067 1.00 0.00 O ATOM 0 H GLY A 106 -5.139 -18.865 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.749 -18.579 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.291 -20.124 1.336 1.00 0.00 H new ATOM 1679 N SER A 107 -6.692 -17.993 1.870 1.00 0.00 N ATOM 1680 CA SER A 107 -7.828 -17.291 1.206 1.00 0.00 C ATOM 1681 C SER A 107 -7.765 -15.806 1.504 1.00 0.00 C ATOM 1682 O SER A 107 -7.684 -15.398 2.635 1.00 0.00 O ATOM 1683 CB SER A 107 -9.089 -17.895 1.814 1.00 0.00 C ATOM 1684 OG SER A 107 -8.808 -19.209 2.278 1.00 0.00 O ATOM 0 H SER A 107 -6.723 -18.001 2.890 1.00 0.00 H new ATOM 0 HA SER A 107 -7.803 -17.408 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.442 -17.274 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.887 -17.923 1.072 1.00 0.00 H new ATOM 0 HG SER A 107 -9.618 -19.597 2.671 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.823 -14.999 0.491 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.793 -13.527 0.703 1.00 0.00 C ATOM 1692 C ASP A 108 -9.226 -13.006 0.726 1.00 0.00 C ATOM 1693 O ASP A 108 -9.470 -11.817 0.704 1.00 0.00 O ATOM 1694 CB ASP A 108 -7.047 -12.971 -0.508 1.00 0.00 C ATOM 1695 CG ASP A 108 -7.716 -13.468 -1.790 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -8.902 -13.753 -1.743 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -7.033 -13.555 -2.797 1.00 0.00 O ATOM 0 H ASP A 108 -7.890 -15.294 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.314 -13.238 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.050 -11.881 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.004 -13.287 -0.483 1.00 0.00 H new ATOM 1702 N ASP A 109 -10.178 -13.899 0.761 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.605 -13.462 0.772 1.00 0.00 C ATOM 1704 C ASP A 109 -12.102 -13.272 2.209 1.00 0.00 C ATOM 1705 O ASP A 109 -12.709 -14.153 2.785 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.369 -14.596 0.087 1.00 0.00 C ATOM 1707 CG ASP A 109 -12.300 -14.417 -1.431 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -11.212 -14.185 -1.932 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -13.336 -14.514 -2.067 1.00 0.00 O ATOM 0 H ASP A 109 -10.031 -14.908 0.782 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.744 -12.507 0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.942 -15.558 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.408 -14.599 0.416 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.858 -12.126 2.792 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.332 -11.894 4.188 1.00 0.00 C ATOM 1716 C ILE A 110 -13.707 -11.220 4.171 1.00 0.00 C ATOM 1717 O ILE A 110 -14.084 -10.527 5.095 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.284 -10.989 4.849 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.972 -9.803 3.932 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -9.998 -11.787 5.114 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.297 -8.696 4.744 1.00 0.00 C ATOM 0 H ILE A 110 -11.355 -11.348 2.366 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.442 -12.828 4.739 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.679 -10.620 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.321 -10.120 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.890 -9.428 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.258 -11.139 5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.219 -12.624 5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.603 -12.165 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.074 -7.851 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.964 -8.372 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.371 -9.075 5.176 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.463 -11.432 3.126 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.823 -10.823 3.045 1.00 0.00 C ATOM 1735 C GLY A 111 -15.723 -9.355 2.626 1.00 0.00 C ATOM 1736 O GLY A 111 -16.718 -8.671 2.498 1.00 0.00 O ATOM 0 H GLY A 111 -14.196 -12.002 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.433 -11.372 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.321 -10.899 4.011 1.00 0.00 H new ATOM 1740 N GLU A 112 -14.534 -8.860 2.415 1.00 0.00 N ATOM 1741 CA GLU A 112 -14.390 -7.428 2.011 1.00 0.00 C ATOM 1742 C GLU A 112 -14.550 -7.272 0.494 1.00 0.00 C ATOM 1743 O GLU A 112 -14.532 -8.236 -0.246 1.00 0.00 O ATOM 1744 CB GLU A 112 -12.981 -7.034 2.446 1.00 0.00 C ATOM 1745 CG GLU A 112 -12.902 -7.047 3.974 1.00 0.00 C ATOM 1746 CD GLU A 112 -13.741 -5.900 4.539 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -14.237 -5.111 3.752 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -13.875 -5.829 5.750 1.00 0.00 O ATOM 0 H GLU A 112 -13.660 -9.379 2.503 1.00 0.00 H new ATOM 0 HA GLU A 112 -15.152 -6.797 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.251 -7.727 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.734 -6.043 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.264 -8.000 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.865 -6.946 4.296 1.00 0.00 H new ATOM 1755 N ASN A 113 -14.714 -6.060 0.031 1.00 0.00 N ATOM 1756 CA ASN A 113 -14.883 -5.828 -1.435 1.00 0.00 C ATOM 1757 C ASN A 113 -13.879 -4.792 -1.934 1.00 0.00 C ATOM 1758 O ASN A 113 -13.901 -3.652 -1.532 1.00 0.00 O ATOM 1759 CB ASN A 113 -16.323 -5.325 -1.603 1.00 0.00 C ATOM 1760 CG ASN A 113 -16.703 -4.401 -0.438 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.765 -4.538 0.135 1.00 0.00 O ATOM 1762 ND2 ASN A 113 -15.879 -3.461 -0.062 1.00 0.00 N ATOM 0 H ASN A 113 -14.738 -5.218 0.607 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.705 -6.734 -2.015 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -16.421 -4.790 -2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -17.009 -6.171 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.128 -2.844 0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -14.986 -3.344 -0.541 1.00 0.00 H new ATOM 1769 N ILE A 114 -12.995 -5.184 -2.813 1.00 0.00 N ATOM 1770 CA ILE A 114 -11.986 -4.221 -3.340 1.00 0.00 C ATOM 1771 C ILE A 114 -12.631 -3.288 -4.362 1.00 0.00 C ATOM 1772 O ILE A 114 -12.653 -2.087 -4.184 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.915 -5.088 -3.998 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -10.569 -6.260 -3.076 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.662 -4.247 -4.242 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -10.424 -5.757 -1.638 1.00 0.00 C ATOM 0 H ILE A 114 -12.929 -6.130 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.569 -3.589 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.289 -5.471 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -11.349 -7.020 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.642 -6.731 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.896 -4.864 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -9.907 -3.411 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.289 -3.866 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.178 -6.593 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.629 -5.013 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.362 -5.306 -1.314 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.171 -3.824 -5.423 1.00 0.00 N ATOM 1789 CA ASP A 115 -13.824 -2.944 -6.429 1.00 0.00 C ATOM 1790 C ASP A 115 -14.717 -1.954 -5.697 1.00 0.00 C ATOM 1791 O ASP A 115 -14.959 -0.850 -6.142 1.00 0.00 O ATOM 1792 CB ASP A 115 -14.648 -3.881 -7.315 1.00 0.00 C ATOM 1793 CG ASP A 115 -13.739 -4.519 -8.367 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -13.047 -3.782 -9.049 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -13.749 -5.735 -8.470 1.00 0.00 O ATOM 0 H ASP A 115 -13.188 -4.822 -5.634 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.114 -2.372 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -15.117 -4.655 -6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -15.451 -3.327 -7.801 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.182 -2.356 -4.557 1.00 0.00 N ATOM 1801 CA VAL A 116 -16.047 -1.472 -3.732 1.00 0.00 C ATOM 1802 C VAL A 116 -15.192 -0.668 -2.767 1.00 0.00 C ATOM 1803 O VAL A 116 -15.238 0.545 -2.727 1.00 0.00 O ATOM 1804 CB VAL A 116 -16.966 -2.418 -2.963 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -18.024 -1.607 -2.213 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -17.652 -3.374 -3.940 1.00 0.00 C ATOM 0 H VAL A 116 -14.999 -3.274 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.610 -0.762 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.376 -2.993 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.680 -2.283 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -17.535 -0.929 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.613 -1.030 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.308 -4.049 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.240 -2.801 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -16.898 -3.955 -4.471 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.412 -1.349 -1.991 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.534 -0.640 -1.012 1.00 0.00 C ATOM 1818 C PHE A 117 -12.577 0.281 -1.762 1.00 0.00 C ATOM 1819 O PHE A 117 -12.036 1.220 -1.212 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.764 -1.740 -0.279 1.00 0.00 C ATOM 1821 CG PHE A 117 -11.966 -1.130 0.847 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -12.584 -0.855 2.072 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -10.607 -0.842 0.669 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -11.844 -0.292 3.120 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -9.868 -0.278 1.715 1.00 0.00 C ATOM 1826 CZ PHE A 117 -10.486 -0.004 2.941 1.00 0.00 C ATOM 0 H PHE A 117 -14.338 -2.366 -1.985 1.00 0.00 H new ATOM 0 HA PHE A 117 -14.101 -0.024 -0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -13.457 -2.484 0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -12.100 -2.257 -0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -13.632 -1.077 2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.129 -1.055 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -12.321 -0.080 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -8.821 -0.054 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 117 -9.915 0.430 3.749 1.00 0.00 H new ATOM 1836 N SER A 118 -12.385 0.031 -3.027 1.00 0.00 N ATOM 1837 CA SER A 118 -11.495 0.889 -3.828 1.00 0.00 C ATOM 1838 C SER A 118 -12.330 1.994 -4.429 1.00 0.00 C ATOM 1839 O SER A 118 -11.961 3.146 -4.422 1.00 0.00 O ATOM 1840 CB SER A 118 -10.928 -0.027 -4.909 1.00 0.00 C ATOM 1841 OG SER A 118 -10.287 0.760 -5.904 1.00 0.00 O ATOM 0 H SER A 118 -12.815 -0.741 -3.537 1.00 0.00 H new ATOM 0 HA SER A 118 -10.692 1.350 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.218 -0.729 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.727 -0.619 -5.356 1.00 0.00 H new ATOM 0 HG SER A 118 -9.319 0.757 -5.750 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.479 1.639 -4.910 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.390 2.656 -5.492 1.00 0.00 C ATOM 1849 C ASP A 119 -14.797 3.610 -4.387 1.00 0.00 C ATOM 1850 O ASP A 119 -15.054 4.775 -4.601 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.593 1.876 -6.022 1.00 0.00 C ATOM 1852 CG ASP A 119 -16.733 2.847 -6.336 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -16.566 3.653 -7.237 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -17.752 2.768 -5.671 1.00 0.00 O ATOM 0 H ASP A 119 -13.831 0.682 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 119 -13.934 3.240 -6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -15.315 1.323 -6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -15.918 1.143 -5.284 1.00 0.00 H new ATOM 1859 N THR A 120 -14.803 3.113 -3.194 1.00 0.00 N ATOM 1860 CA THR A 120 -15.134 3.964 -2.026 1.00 0.00 C ATOM 1861 C THR A 120 -14.021 4.988 -1.888 1.00 0.00 C ATOM 1862 O THR A 120 -14.240 6.180 -1.808 1.00 0.00 O ATOM 1863 CB THR A 120 -15.178 2.987 -0.841 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.530 2.666 -0.551 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.527 3.602 0.400 1.00 0.00 C ATOM 0 H THR A 120 -14.590 2.141 -2.972 1.00 0.00 H new ATOM 0 HA THR A 120 -16.076 4.508 -2.101 1.00 0.00 H new ATOM 0 HB THR A 120 -14.625 2.087 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.563 2.041 0.203 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.571 2.890 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.486 3.842 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.059 4.512 0.677 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.826 4.503 -1.897 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.641 5.389 -1.808 1.00 0.00 C ATOM 1875 C ILE A 121 -11.531 6.197 -3.107 1.00 0.00 C ATOM 1876 O ILE A 121 -11.311 7.392 -3.095 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.469 4.410 -1.620 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -9.827 4.667 -0.260 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.418 4.569 -2.725 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -8.982 5.941 -0.323 1.00 0.00 C ATOM 0 H ILE A 121 -12.610 3.508 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.676 6.118 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.855 3.392 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -10.598 4.767 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -9.204 3.819 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.606 3.861 -2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.877 4.374 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.023 5.585 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.524 6.123 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.202 5.823 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -9.617 6.786 -0.589 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.702 5.544 -4.223 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.632 6.244 -5.524 1.00 0.00 C ATOM 1894 C LYS A 122 -12.759 7.266 -5.594 1.00 0.00 C ATOM 1895 O LYS A 122 -12.619 8.333 -6.157 1.00 0.00 O ATOM 1896 CB LYS A 122 -11.827 5.135 -6.554 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.473 4.804 -7.177 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.000 3.430 -6.704 1.00 0.00 C ATOM 1899 CE LYS A 122 -8.744 3.596 -5.845 1.00 0.00 C ATOM 1900 NZ LYS A 122 -7.609 3.489 -6.801 1.00 0.00 N ATOM 0 H LYS A 122 -11.889 4.543 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.699 6.783 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.252 4.250 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.530 5.453 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.551 4.816 -8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.742 5.564 -6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.786 2.940 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.787 2.791 -7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.740 4.558 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.687 2.826 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.758 3.171 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.846 2.803 -7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.429 4.418 -7.231 1.00 0.00 H new ATOM 1914 N SER A 123 -13.871 6.947 -4.999 1.00 0.00 N ATOM 1915 CA SER A 123 -15.011 7.897 -4.995 1.00 0.00 C ATOM 1916 C SER A 123 -14.831 8.884 -3.855 1.00 0.00 C ATOM 1917 O SER A 123 -15.451 9.929 -3.807 1.00 0.00 O ATOM 1918 CB SER A 123 -16.238 7.037 -4.759 1.00 0.00 C ATOM 1919 OG SER A 123 -17.408 7.831 -4.901 1.00 0.00 O ATOM 0 H SER A 123 -14.039 6.066 -4.514 1.00 0.00 H new ATOM 0 HA SER A 123 -15.091 8.468 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.258 6.211 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 123 -16.202 6.599 -3.762 1.00 0.00 H new ATOM 0 HG SER A 123 -18.201 7.275 -4.750 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.964 8.559 -2.946 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.704 9.473 -1.803 1.00 0.00 C ATOM 1927 C PHE A 124 -12.897 10.672 -2.291 1.00 0.00 C ATOM 1928 O PHE A 124 -12.606 11.589 -1.549 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.891 8.647 -0.810 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.510 8.753 0.564 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -13.701 10.009 1.150 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -13.891 7.594 1.251 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -14.275 10.108 2.423 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -14.465 7.692 2.524 1.00 0.00 C ATOM 1935 CZ PHE A 124 -14.657 8.948 3.111 1.00 0.00 C ATOM 0 H PHE A 124 -13.420 7.696 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.619 9.855 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.861 7.605 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.861 9.002 -0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -13.406 10.902 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -13.742 6.625 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -14.423 11.078 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -14.760 6.798 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 124 -15.099 9.023 4.093 1.00 0.00 H new