USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 954 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 71 TYR OH : rot -94:sc= 2.12 USER MOD Set 1.2: A 74 SER OG : rot -2:sc= 0.918 USER MOD Set 1.3: A 87 HIS : +bothHN:sc= 1.67 K(o=4.7,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 130:sc= 0.36 (180deg=-0.112) USER MOD Single : A 8 MET CE :methyl -156:sc= -0.215 (180deg=-0.99) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0284) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= 0.782 (180deg=0.111) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.427! X(o=-0.43!,f=-0.00067) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.784 K(o=-0.78,f=-2.4!) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= 0.91 K(o=0.91,f=-3.8!) USER MOD Single : A 90 HIS : no HE2:sc= -1.93! C(o=-1.9!,f=-11!) USER MOD Single : A 95 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 103 HIS : +bothHN:sc= 0.266 K(o=0.27,f=-13!) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.162 F(o=-1.8!,f=-0.16) USER MOD Single : A 109 CYS SG : rot 180:sc= -1.5! USER MOD Single : A 110 SER OG : rot -91:sc= -0.0579 USER MOD Single : A 116 GLN :FLIP amide:sc= -0.166 F(o=-0.85,f=-0.17) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl 171:sc= -0.0381 (180deg=-0.299) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -18.926 -8.808 -3.744 1.00 0.00 N ATOM 79 CA LYS A 7 -18.515 -7.477 -4.151 1.00 0.00 C ATOM 80 C LYS A 7 -17.036 -7.318 -3.848 1.00 0.00 C ATOM 81 O LYS A 7 -16.564 -7.766 -2.801 1.00 0.00 O ATOM 82 CB LYS A 7 -19.335 -6.419 -3.396 1.00 0.00 C ATOM 83 CG LYS A 7 -18.981 -4.975 -3.739 1.00 0.00 C ATOM 84 CD LYS A 7 -19.267 -4.650 -5.198 1.00 0.00 C ATOM 85 CE LYS A 7 -19.020 -3.178 -5.511 1.00 0.00 C ATOM 86 NZ LYS A 7 -17.615 -2.770 -5.239 1.00 0.00 N ATOM 0 HA LYS A 7 -18.688 -7.341 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -20.392 -6.580 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.197 -6.568 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.550 -4.300 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -17.926 -4.800 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -18.637 -5.268 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.302 -4.902 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -19.255 -2.987 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -19.696 -2.564 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.232 -2.270 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.590 -2.140 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -17.039 -3.615 -5.048 1.00 0.00 H new ATOM 100 N MET A 8 -16.301 -6.702 -4.753 1.00 0.00 N ATOM 101 CA MET A 8 -14.878 -6.525 -4.551 1.00 0.00 C ATOM 102 C MET A 8 -14.591 -5.154 -3.966 1.00 0.00 C ATOM 103 O MET A 8 -15.159 -4.144 -4.390 1.00 0.00 O ATOM 104 CB MET A 8 -14.098 -6.721 -5.855 1.00 0.00 C ATOM 105 CG MET A 8 -13.991 -8.175 -6.293 1.00 0.00 C ATOM 106 SD MET A 8 -13.106 -8.367 -7.853 1.00 0.00 S ATOM 107 CE MET A 8 -14.098 -7.340 -8.934 1.00 0.00 C ATOM 0 H MET A 8 -16.662 -6.319 -5.627 1.00 0.00 H new ATOM 0 HA MET A 8 -14.546 -7.287 -3.845 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.581 -6.147 -6.646 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.095 -6.313 -5.732 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.482 -8.747 -5.518 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.992 -8.595 -6.393 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.969 -7.667 -9.966 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.148 -7.426 -8.655 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.782 -6.301 -8.840 1.00 0.00 H new ATOM 117 N ILE A 9 -13.724 -5.140 -2.981 1.00 0.00 N ATOM 118 CA ILE A 9 -13.271 -3.919 -2.358 1.00 0.00 C ATOM 119 C ILE A 9 -11.866 -3.639 -2.848 1.00 0.00 C ATOM 120 O ILE A 9 -10.914 -4.312 -2.461 1.00 0.00 O ATOM 121 CB ILE A 9 -13.269 -4.045 -0.822 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.671 -4.383 -0.311 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.740 -2.783 -0.148 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.790 -4.368 1.199 1.00 0.00 C ATOM 0 H ILE A 9 -13.309 -5.984 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.946 -3.105 -2.623 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.593 -4.859 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.382 -3.671 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.954 -5.369 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.756 -2.914 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.717 -2.597 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.368 -1.935 -0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.812 -4.617 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.105 -5.101 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.539 -3.376 1.574 1.00 0.00 H new ATOM 136 N GLU A 10 -11.736 -2.658 -3.702 1.00 0.00 N ATOM 137 CA GLU A 10 -10.461 -2.383 -4.331 1.00 0.00 C ATOM 138 C GLU A 10 -9.696 -1.393 -3.481 1.00 0.00 C ATOM 139 O GLU A 10 -10.198 -0.313 -3.174 1.00 0.00 O ATOM 140 CB GLU A 10 -10.664 -1.820 -5.742 1.00 0.00 C ATOM 141 CG GLU A 10 -11.119 -2.844 -6.773 1.00 0.00 C ATOM 142 CD GLU A 10 -9.973 -3.672 -7.317 1.00 0.00 C ATOM 143 OE1 GLU A 10 -8.924 -3.086 -7.647 1.00 0.00 O ATOM 144 OE2 GLU A 10 -10.106 -4.908 -7.419 1.00 0.00 O ATOM 0 H GLU A 10 -12.493 -2.034 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.895 -3.311 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.400 -1.018 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.728 -1.375 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.858 -3.506 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.614 -2.330 -7.597 1.00 0.00 H new ATOM 151 N VAL A 11 -8.497 -1.767 -3.087 1.00 0.00 N ATOM 152 CA VAL A 11 -7.677 -0.915 -2.255 1.00 0.00 C ATOM 153 C VAL A 11 -6.315 -0.746 -2.899 1.00 0.00 C ATOM 154 O VAL A 11 -5.641 -1.723 -3.226 1.00 0.00 O ATOM 155 CB VAL A 11 -7.507 -1.490 -0.827 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.653 -0.567 0.028 1.00 0.00 C ATOM 157 CG2 VAL A 11 -8.864 -1.713 -0.174 1.00 0.00 C ATOM 0 H VAL A 11 -8.068 -2.660 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.178 0.049 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.999 -2.451 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.547 -0.991 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.668 -0.458 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.131 0.410 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.723 -2.117 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.398 -0.765 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.444 -2.417 -0.771 1.00 0.00 H new ATOM 167 N VAL A 12 -5.919 0.489 -3.106 1.00 0.00 N ATOM 168 CA VAL A 12 -4.622 0.771 -3.672 1.00 0.00 C ATOM 169 C VAL A 12 -3.653 1.124 -2.561 1.00 0.00 C ATOM 170 O VAL A 12 -3.971 1.917 -1.672 1.00 0.00 O ATOM 171 CB VAL A 12 -4.679 1.903 -4.723 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.215 1.370 -6.044 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.534 3.063 -4.224 1.00 0.00 C ATOM 0 H VAL A 12 -6.478 1.314 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.277 -0.124 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.667 2.275 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.250 2.178 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.561 0.578 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.219 0.972 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.560 3.848 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.548 2.711 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.107 3.460 -3.303 1.00 0.00 H new ATOM 183 N ALA A 13 -2.489 0.507 -2.591 1.00 0.00 N ATOM 184 CA ALA A 13 -1.480 0.727 -1.577 1.00 0.00 C ATOM 185 C ALA A 13 -0.264 1.376 -2.209 1.00 0.00 C ATOM 186 O ALA A 13 0.239 0.909 -3.233 1.00 0.00 O ATOM 187 CB ALA A 13 -1.096 -0.585 -0.904 1.00 0.00 C ATOM 0 H ALA A 13 -2.218 -0.158 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.884 1.390 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.336 -0.396 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.976 -1.024 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.700 -1.274 -1.650 1.00 0.00 H new ATOM 193 N ALA A 14 0.202 2.446 -1.607 1.00 0.00 N ATOM 194 CA ALA A 14 1.334 3.169 -2.130 1.00 0.00 C ATOM 195 C ALA A 14 2.571 2.834 -1.334 1.00 0.00 C ATOM 196 O ALA A 14 2.672 3.154 -0.149 1.00 0.00 O ATOM 197 CB ALA A 14 1.082 4.666 -2.094 1.00 0.00 C ATOM 0 H ALA A 14 -0.190 2.835 -0.749 1.00 0.00 H new ATOM 0 HA ALA A 14 1.483 2.871 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.950 5.191 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.206 4.902 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.909 4.981 -1.065 1.00 0.00 H new ATOM 203 N ILE A 15 3.514 2.189 -1.985 1.00 0.00 N ATOM 204 CA ILE A 15 4.768 1.884 -1.361 1.00 0.00 C ATOM 205 C ILE A 15 5.727 3.013 -1.671 1.00 0.00 C ATOM 206 O ILE A 15 6.299 3.086 -2.764 1.00 0.00 O ATOM 207 CB ILE A 15 5.335 0.534 -1.853 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.432 -0.609 -1.377 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.768 0.337 -1.378 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.097 -1.967 -1.405 1.00 0.00 C ATOM 0 H ILE A 15 3.429 1.868 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 15 4.627 1.789 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 15 5.352 0.535 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.101 -0.398 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.540 -0.639 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.142 -0.621 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.394 1.140 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.795 0.350 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.395 -2.723 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.403 -2.201 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.973 -1.957 -0.756 1.00 0.00 H new ATOM 222 N ILE A 16 5.861 3.918 -0.724 1.00 0.00 N ATOM 223 CA ILE A 16 6.704 5.076 -0.900 1.00 0.00 C ATOM 224 C ILE A 16 8.098 4.743 -0.425 1.00 0.00 C ATOM 225 O ILE A 16 8.355 4.666 0.772 1.00 0.00 O ATOM 226 CB ILE A 16 6.143 6.286 -0.126 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.675 6.484 -0.495 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.948 7.547 -0.423 1.00 0.00 C ATOM 229 CD1 ILE A 16 4.008 7.621 0.239 1.00 0.00 C ATOM 0 H ILE A 16 5.392 3.871 0.181 1.00 0.00 H new ATOM 0 HA ILE A 16 6.732 5.344 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 16 6.223 6.090 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.601 6.664 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.131 5.562 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.531 8.385 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.986 7.394 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.903 7.764 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.968 7.698 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.048 7.435 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.526 8.553 0.013 1.00 0.00 H new ATOM 241 N GLU A 17 8.981 4.510 -1.370 1.00 0.00 N ATOM 242 CA GLU A 17 10.312 4.055 -1.052 1.00 0.00 C ATOM 243 C GLU A 17 11.331 5.072 -1.519 1.00 0.00 C ATOM 244 O GLU A 17 11.330 5.492 -2.677 1.00 0.00 O ATOM 245 CB GLU A 17 10.558 2.672 -1.667 1.00 0.00 C ATOM 246 CG GLU A 17 11.969 2.132 -1.481 1.00 0.00 C ATOM 247 CD GLU A 17 12.926 2.635 -2.540 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.702 2.324 -3.727 1.00 0.00 O ATOM 249 OE2 GLU A 17 13.904 3.326 -2.195 1.00 0.00 O ATOM 0 H GLU A 17 8.799 4.629 -2.367 1.00 0.00 H new ATOM 0 HA GLU A 17 10.416 3.956 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.853 1.965 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.340 2.721 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.338 2.420 -0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.944 1.043 -1.506 1.00 0.00 H new ATOM 256 N ARG A 18 12.177 5.471 -0.595 1.00 0.00 N ATOM 257 CA ARG A 18 13.222 6.431 -0.866 1.00 0.00 C ATOM 258 C ARG A 18 14.483 5.988 -0.141 1.00 0.00 C ATOM 259 O ARG A 18 14.428 5.641 1.042 1.00 0.00 O ATOM 260 CB ARG A 18 12.788 7.819 -0.389 1.00 0.00 C ATOM 261 CG ARG A 18 13.538 8.976 -1.034 1.00 0.00 C ATOM 262 CD ARG A 18 13.116 9.184 -2.483 1.00 0.00 C ATOM 263 NE ARG A 18 13.690 10.407 -3.048 1.00 0.00 N ATOM 264 CZ ARG A 18 13.044 11.236 -3.873 1.00 0.00 C ATOM 265 NH1 ARG A 18 11.819 10.945 -4.299 1.00 0.00 N ATOM 266 NH2 ARG A 18 13.635 12.350 -4.290 1.00 0.00 N ATOM 0 H ARG A 18 12.159 5.137 0.369 1.00 0.00 H new ATOM 0 HA ARG A 18 13.417 6.485 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.723 7.939 -0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.921 7.875 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.355 9.889 -0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.610 8.783 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.429 8.327 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.029 9.233 -2.541 1.00 0.00 H new ATOM 0 HE ARG A 18 14.649 10.642 -2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.365 10.083 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.333 11.583 -4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.581 12.572 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.143 12.983 -4.920 1.00 0.00 H new ATOM 280 N ASP A 19 15.599 5.966 -0.863 1.00 0.00 N ATOM 281 CA ASP A 19 16.903 5.576 -0.312 1.00 0.00 C ATOM 282 C ASP A 19 16.958 4.091 0.030 1.00 0.00 C ATOM 283 O ASP A 19 17.867 3.650 0.733 1.00 0.00 O ATOM 284 CB ASP A 19 17.251 6.379 0.949 1.00 0.00 C ATOM 285 CG ASP A 19 17.276 7.876 0.720 1.00 0.00 C ATOM 286 OD1 ASP A 19 18.148 8.351 -0.038 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.431 8.584 1.312 1.00 0.00 O ATOM 0 H ASP A 19 15.630 6.218 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 19 17.632 5.792 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.525 6.150 1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.226 6.059 1.317 1.00 0.00 H new ATOM 292 N GLY A 20 16.004 3.313 -0.463 1.00 0.00 N ATOM 293 CA GLY A 20 15.953 1.910 -0.114 1.00 0.00 C ATOM 294 C GLY A 20 15.083 1.666 1.100 1.00 0.00 C ATOM 295 O GLY A 20 15.047 0.561 1.638 1.00 0.00 O ATOM 0 H GLY A 20 15.268 3.628 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.568 1.339 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.962 1.547 0.082 1.00 0.00 H new ATOM 299 N LYS A 21 14.378 2.703 1.533 1.00 0.00 N ATOM 300 CA LYS A 21 13.516 2.614 2.700 1.00 0.00 C ATOM 301 C LYS A 21 12.073 2.893 2.311 1.00 0.00 C ATOM 302 O LYS A 21 11.798 3.804 1.537 1.00 0.00 O ATOM 303 CB LYS A 21 13.972 3.620 3.746 1.00 0.00 C ATOM 304 CG LYS A 21 15.456 3.543 4.032 1.00 0.00 C ATOM 305 CD LYS A 21 15.735 2.622 5.198 1.00 0.00 C ATOM 306 CE LYS A 21 17.223 2.441 5.430 1.00 0.00 C ATOM 307 NZ LYS A 21 17.873 3.700 5.884 1.00 0.00 N ATOM 0 H LYS A 21 14.388 3.621 1.089 1.00 0.00 H new ATOM 0 HA LYS A 21 13.579 1.607 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.725 4.626 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.420 3.450 4.670 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.983 3.185 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.840 4.539 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.273 3.026 6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.275 1.651 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.382 1.662 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.695 2.101 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.875 3.517 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.803 4.417 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.396 4.048 6.740 1.00 0.00 H new ATOM 321 N ILE A 22 11.160 2.118 2.866 1.00 0.00 N ATOM 322 CA ILE A 22 9.749 2.221 2.534 1.00 0.00 C ATOM 323 C ILE A 22 8.993 2.929 3.651 1.00 0.00 C ATOM 324 O ILE A 22 9.386 2.851 4.815 1.00 0.00 O ATOM 325 CB ILE A 22 9.145 0.817 2.320 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.991 0.029 1.321 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.704 0.909 1.836 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.544 -1.404 1.151 1.00 0.00 C ATOM 0 H ILE A 22 11.374 1.400 3.559 1.00 0.00 H new ATOM 0 HA ILE A 22 9.656 2.798 1.614 1.00 0.00 H new ATOM 0 HB ILE A 22 9.146 0.295 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.956 0.529 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.031 0.041 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.303 -0.095 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.104 1.437 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.672 1.450 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.189 -1.903 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.605 -1.920 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.515 -1.424 0.793 1.00 0.00 H new ATOM 340 N LEU A 23 7.929 3.633 3.288 1.00 0.00 N ATOM 341 CA LEU A 23 7.105 4.335 4.256 1.00 0.00 C ATOM 342 C LEU A 23 6.020 3.418 4.822 1.00 0.00 C ATOM 343 O LEU A 23 5.139 2.955 4.099 1.00 0.00 O ATOM 344 CB LEU A 23 6.468 5.563 3.603 1.00 0.00 C ATOM 345 CG LEU A 23 5.744 6.511 4.561 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.722 7.100 5.564 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.044 7.618 3.789 1.00 0.00 C ATOM 0 H LEU A 23 7.617 3.732 2.322 1.00 0.00 H new ATOM 0 HA LEU A 23 7.742 4.655 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.246 6.122 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.759 5.225 2.847 1.00 0.00 H new ATOM 0 HG LEU A 23 4.991 5.942 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.191 7.772 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.181 6.296 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.497 7.655 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.535 8.282 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.780 8.186 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.315 7.181 3.107 1.00 0.00 H new ATOM 359 N LEU A 24 6.107 3.158 6.117 1.00 0.00 N ATOM 360 CA LEU A 24 5.104 2.366 6.822 1.00 0.00 C ATOM 361 C LEU A 24 4.331 3.264 7.775 1.00 0.00 C ATOM 362 O LEU A 24 4.922 4.087 8.474 1.00 0.00 O ATOM 363 CB LEU A 24 5.735 1.205 7.609 1.00 0.00 C ATOM 364 CG LEU A 24 6.417 0.106 6.782 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.745 0.581 6.216 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.614 -1.141 7.632 1.00 0.00 C ATOM 0 H LEU A 24 6.870 3.487 6.709 1.00 0.00 H new ATOM 0 HA LEU A 24 4.434 1.936 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.471 1.620 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.957 0.742 8.216 1.00 0.00 H new ATOM 0 HG LEU A 24 5.768 -0.137 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.201 -0.221 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.578 1.445 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.410 0.861 7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.098 -1.915 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.239 -0.900 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.646 -1.502 7.978 1.00 0.00 H new ATOM 378 N ALA A 25 3.018 3.119 7.793 1.00 0.00 N ATOM 379 CA ALA A 25 2.182 3.943 8.646 1.00 0.00 C ATOM 380 C ALA A 25 1.427 3.090 9.657 1.00 0.00 C ATOM 381 O ALA A 25 0.688 2.182 9.284 1.00 0.00 O ATOM 382 CB ALA A 25 1.215 4.754 7.808 1.00 0.00 C ATOM 0 H ALA A 25 2.509 2.440 7.228 1.00 0.00 H new ATOM 0 HA ALA A 25 2.827 4.628 9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.594 5.368 8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.774 5.398 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.581 4.081 7.231 1.00 0.00 H new ATOM 388 N GLN A 26 1.625 3.387 10.932 1.00 0.00 N ATOM 389 CA GLN A 26 1.001 2.617 12.007 1.00 0.00 C ATOM 390 C GLN A 26 -0.504 2.849 12.059 1.00 0.00 C ATOM 391 O GLN A 26 -0.964 3.983 12.233 1.00 0.00 O ATOM 392 CB GLN A 26 1.628 2.968 13.361 1.00 0.00 C ATOM 393 CG GLN A 26 1.061 2.156 14.517 1.00 0.00 C ATOM 394 CD GLN A 26 1.672 2.522 15.857 1.00 0.00 C ATOM 395 OE1 GLN A 26 2.933 2.927 15.852 1.00 0.00 O flip ATOM 396 NE2 GLN A 26 1.014 2.434 16.893 1.00 0.00 N flip ATOM 0 H GLN A 26 2.213 4.156 11.252 1.00 0.00 H new ATOM 0 HA GLN A 26 1.177 1.562 11.795 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.705 2.807 13.307 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.473 4.028 13.561 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.018 2.305 14.563 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.228 1.096 14.325 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.045 2.118 16.856 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.438 2.677 17.788 1.00 0.00 H new ATOM 520 N GLY A 35 -0.436 -1.095 17.116 1.00 0.00 N ATOM 521 CA GLY A 35 0.949 -1.476 16.937 1.00 0.00 C ATOM 522 C GLY A 35 1.255 -1.905 15.518 1.00 0.00 C ATOM 523 O GLY A 35 2.409 -1.892 15.099 1.00 0.00 O ATOM 0 HA2 GLY A 35 1.591 -0.637 17.205 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.189 -2.292 17.619 1.00 0.00 H new ATOM 527 N LEU A 36 0.220 -2.276 14.774 1.00 0.00 N ATOM 528 CA LEU A 36 0.381 -2.766 13.408 1.00 0.00 C ATOM 529 C LEU A 36 0.698 -1.626 12.444 1.00 0.00 C ATOM 530 O LEU A 36 0.244 -0.496 12.629 1.00 0.00 O ATOM 531 CB LEU A 36 -0.906 -3.469 12.923 1.00 0.00 C ATOM 532 CG LEU A 36 -1.386 -4.704 13.711 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.243 -5.662 13.987 1.00 0.00 C ATOM 534 CD2 LEU A 36 -2.081 -4.308 15.006 1.00 0.00 C ATOM 0 H LEU A 36 -0.747 -2.247 15.096 1.00 0.00 H new ATOM 0 HA LEU A 36 1.210 -3.473 13.419 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.711 -2.735 12.927 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.754 -3.770 11.887 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.115 -5.219 13.086 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.615 -6.522 14.544 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.185 -5.999 13.043 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.524 -5.155 14.573 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.405 -5.205 15.534 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.388 -3.748 15.634 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.948 -3.687 14.779 1.00 0.00 H new ATOM 546 N TRP A 37 1.489 -1.940 11.427 1.00 0.00 N ATOM 547 CA TRP A 37 1.841 -0.986 10.383 1.00 0.00 C ATOM 548 C TRP A 37 1.237 -1.430 9.053 1.00 0.00 C ATOM 549 O TRP A 37 1.138 -2.627 8.779 1.00 0.00 O ATOM 550 CB TRP A 37 3.366 -0.877 10.249 1.00 0.00 C ATOM 551 CG TRP A 37 4.051 -0.478 11.522 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.367 -1.294 12.568 1.00 0.00 C ATOM 553 CD2 TRP A 37 4.512 0.830 11.884 1.00 0.00 C ATOM 554 NE1 TRP A 37 4.983 -0.576 13.562 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.087 0.729 13.167 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.490 2.076 11.253 1.00 0.00 C ATOM 557 CZ2 TRP A 37 5.634 1.829 13.828 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.035 3.165 11.910 1.00 0.00 C ATOM 559 CH2 TRP A 37 5.602 3.035 13.185 1.00 0.00 C ATOM 0 H TRP A 37 1.905 -2.863 11.302 1.00 0.00 H new ATOM 0 HA TRP A 37 1.442 -0.008 10.654 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.763 -1.836 9.917 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.604 -0.148 9.474 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.162 -2.354 12.608 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.310 -0.954 14.451 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.056 2.187 10.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.067 1.731 14.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.023 4.133 11.431 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.022 3.904 13.669 1.00 0.00 H new ATOM 570 N GLU A 38 0.830 -0.467 8.243 1.00 0.00 N ATOM 571 CA GLU A 38 0.249 -0.750 6.938 1.00 0.00 C ATOM 572 C GLU A 38 0.760 0.257 5.912 1.00 0.00 C ATOM 573 O GLU A 38 1.194 1.360 6.278 1.00 0.00 O ATOM 574 CB GLU A 38 -1.289 -0.715 7.006 1.00 0.00 C ATOM 575 CG GLU A 38 -1.844 0.549 7.651 1.00 0.00 C ATOM 576 CD GLU A 38 -3.352 0.700 7.509 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.801 1.276 6.495 1.00 0.00 O ATOM 578 OE2 GLU A 38 -4.094 0.319 8.437 1.00 0.00 O ATOM 0 H GLU A 38 0.891 0.526 8.467 1.00 0.00 H new ATOM 0 HA GLU A 38 0.551 -1.752 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.691 -0.804 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.639 -1.582 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.586 0.548 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.358 1.417 7.205 1.00 0.00 H new ATOM 585 N PHE A 39 0.744 -0.126 4.644 1.00 0.00 N ATOM 586 CA PHE A 39 1.122 0.785 3.572 1.00 0.00 C ATOM 587 C PHE A 39 0.012 1.810 3.358 1.00 0.00 C ATOM 588 O PHE A 39 -1.169 1.470 3.385 1.00 0.00 O ATOM 589 CB PHE A 39 1.401 0.029 2.263 1.00 0.00 C ATOM 590 CG PHE A 39 2.574 -0.895 2.317 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.865 -0.408 2.234 1.00 0.00 C ATOM 592 CD2 PHE A 39 2.381 -2.252 2.443 1.00 0.00 C ATOM 593 CE1 PHE A 39 4.941 -1.264 2.282 1.00 0.00 C ATOM 594 CE2 PHE A 39 3.449 -3.114 2.491 1.00 0.00 C ATOM 595 CZ PHE A 39 4.735 -2.622 2.412 1.00 0.00 C ATOM 0 H PHE A 39 0.474 -1.059 4.332 1.00 0.00 H new ATOM 0 HA PHE A 39 2.041 1.293 3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.514 -0.546 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.563 0.755 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.031 0.654 2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.377 -2.644 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.946 -0.873 2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.282 -4.176 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.577 -3.297 2.452 1.00 0.00 H new ATOM 605 N ALA A 40 0.391 3.065 3.158 1.00 0.00 N ATOM 606 CA ALA A 40 -0.585 4.133 2.980 1.00 0.00 C ATOM 607 C ALA A 40 -1.300 3.998 1.642 1.00 0.00 C ATOM 608 O ALA A 40 -0.756 3.431 0.696 1.00 0.00 O ATOM 609 CB ALA A 40 0.089 5.492 3.093 1.00 0.00 C ATOM 0 H ALA A 40 1.364 3.369 3.115 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.331 4.049 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.653 6.279 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.547 5.590 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.857 5.582 2.325 1.00 0.00 H new ATOM 615 N GLY A 41 -2.509 4.522 1.563 1.00 0.00 N ATOM 616 CA GLY A 41 -3.282 4.415 0.348 1.00 0.00 C ATOM 617 C GLY A 41 -4.747 4.671 0.603 1.00 0.00 C ATOM 618 O GLY A 41 -5.097 5.617 1.303 1.00 0.00 O ATOM 0 H GLY A 41 -2.971 5.022 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.909 5.129 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.154 3.421 -0.080 1.00 0.00 H new ATOM 622 N GLY A 42 -5.600 3.819 0.062 1.00 0.00 N ATOM 623 CA GLY A 42 -7.022 3.989 0.263 1.00 0.00 C ATOM 624 C GLY A 42 -7.863 3.123 -0.648 1.00 0.00 C ATOM 625 O GLY A 42 -7.341 2.427 -1.523 1.00 0.00 O ATOM 0 H GLY A 42 -5.336 3.017 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.266 3.757 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.282 5.035 0.101 1.00 0.00 H new ATOM 629 N LYS A 43 -9.170 3.152 -0.426 1.00 0.00 N ATOM 630 CA LYS A 43 -10.110 2.407 -1.247 1.00 0.00 C ATOM 631 C LYS A 43 -10.350 3.125 -2.572 1.00 0.00 C ATOM 632 O LYS A 43 -10.290 4.349 -2.647 1.00 0.00 O ATOM 633 CB LYS A 43 -11.438 2.218 -0.502 1.00 0.00 C ATOM 634 CG LYS A 43 -12.529 1.583 -1.351 1.00 0.00 C ATOM 635 CD LYS A 43 -13.859 1.523 -0.620 1.00 0.00 C ATOM 636 CE LYS A 43 -15.016 1.283 -1.582 1.00 0.00 C ATOM 637 NZ LYS A 43 -15.136 2.373 -2.593 1.00 0.00 N ATOM 0 H LYS A 43 -9.605 3.690 0.324 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.681 1.427 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.266 1.597 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.785 3.187 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.648 2.152 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.226 0.575 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.831 0.726 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.021 2.456 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.873 0.330 -2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.946 1.207 -1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.099 2.377 -2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.943 3.289 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.450 2.214 -3.358 1.00 0.00 H new ATOM 651 N VAL A 44 -10.636 2.351 -3.605 1.00 0.00 N ATOM 652 CA VAL A 44 -10.888 2.891 -4.927 1.00 0.00 C ATOM 653 C VAL A 44 -12.388 2.910 -5.190 1.00 0.00 C ATOM 654 O VAL A 44 -13.112 2.004 -4.764 1.00 0.00 O ATOM 655 CB VAL A 44 -10.189 2.045 -6.015 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.369 2.661 -7.393 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.715 1.873 -5.695 1.00 0.00 C ATOM 0 H VAL A 44 -10.700 1.334 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.487 3.904 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.658 1.061 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.866 2.043 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.431 2.720 -7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.939 3.662 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.241 1.274 -6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.236 2.851 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.608 1.370 -4.734 1.00 0.00 H new ATOM 667 N GLU A 45 -12.856 3.957 -5.842 1.00 0.00 N ATOM 668 CA GLU A 45 -14.238 4.031 -6.271 1.00 0.00 C ATOM 669 C GLU A 45 -14.290 3.917 -7.794 1.00 0.00 C ATOM 670 O GLU A 45 -13.360 4.349 -8.474 1.00 0.00 O ATOM 671 CB GLU A 45 -14.852 5.362 -5.813 1.00 0.00 C ATOM 672 CG GLU A 45 -16.353 5.298 -5.581 1.00 0.00 C ATOM 673 CD GLU A 45 -16.711 4.397 -4.421 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.916 3.187 -4.640 1.00 0.00 O ATOM 675 OE2 GLU A 45 -16.773 4.889 -3.279 1.00 0.00 O ATOM 0 H GLU A 45 -12.295 4.773 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.810 3.216 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.364 5.678 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.642 6.125 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.733 6.302 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.844 4.937 -6.485 1.00 0.00 H new ATOM 682 N PRO A 46 -15.360 3.332 -8.365 1.00 0.00 N ATOM 683 CA PRO A 46 -15.557 3.289 -9.826 1.00 0.00 C ATOM 684 C PRO A 46 -15.754 4.684 -10.437 1.00 0.00 C ATOM 685 O PRO A 46 -16.118 4.822 -11.604 1.00 0.00 O ATOM 686 CB PRO A 46 -16.825 2.445 -9.997 1.00 0.00 C ATOM 687 CG PRO A 46 -17.524 2.528 -8.684 1.00 0.00 C ATOM 688 CD PRO A 46 -16.441 2.633 -7.649 1.00 0.00 C ATOM 0 HA PRO A 46 -14.685 2.879 -10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.450 2.831 -10.802 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.581 1.413 -10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.185 3.394 -8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.143 1.647 -8.514 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.772 3.193 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.123 1.651 -7.298 1.00 0.00 H new ATOM 696 N ASP A 47 -15.501 5.711 -9.636 1.00 0.00 N ATOM 697 CA ASP A 47 -15.604 7.095 -10.076 1.00 0.00 C ATOM 698 C ASP A 47 -14.223 7.628 -10.436 1.00 0.00 C ATOM 699 O ASP A 47 -14.081 8.605 -11.173 1.00 0.00 O ATOM 700 CB ASP A 47 -16.228 7.939 -8.958 1.00 0.00 C ATOM 701 CG ASP A 47 -16.283 9.418 -9.284 1.00 0.00 C ATOM 702 OD1 ASP A 47 -15.302 10.131 -9.003 1.00 0.00 O ATOM 703 OD2 ASP A 47 -17.321 9.879 -9.804 1.00 0.00 O ATOM 0 H ASP A 47 -15.218 5.607 -8.662 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.239 7.151 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.238 7.579 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.655 7.797 -8.042 1.00 0.00 H new ATOM 708 N GLU A 48 -13.213 6.942 -9.942 1.00 0.00 N ATOM 709 CA GLU A 48 -11.836 7.385 -10.079 1.00 0.00 C ATOM 710 C GLU A 48 -10.963 6.264 -10.613 1.00 0.00 C ATOM 711 O GLU A 48 -11.361 5.100 -10.624 1.00 0.00 O ATOM 712 CB GLU A 48 -11.307 7.855 -8.721 1.00 0.00 C ATOM 713 CG GLU A 48 -11.127 6.723 -7.724 1.00 0.00 C ATOM 714 CD GLU A 48 -10.993 7.205 -6.299 1.00 0.00 C ATOM 715 OE1 GLU A 48 -10.252 8.183 -6.056 1.00 0.00 O ATOM 716 OE2 GLU A 48 -11.634 6.610 -5.411 1.00 0.00 O ATOM 0 H GLU A 48 -13.320 6.063 -9.435 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.806 8.213 -10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.351 8.359 -8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.995 8.591 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.979 6.046 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.240 6.148 -7.992 1.00 0.00 H new ATOM 723 N SER A 49 -9.781 6.624 -11.069 1.00 0.00 N ATOM 724 CA SER A 49 -8.801 5.649 -11.492 1.00 0.00 C ATOM 725 C SER A 49 -7.956 5.240 -10.289 1.00 0.00 C ATOM 726 O SER A 49 -7.860 5.990 -9.318 1.00 0.00 O ATOM 727 CB SER A 49 -7.933 6.244 -12.596 1.00 0.00 C ATOM 728 OG SER A 49 -8.734 6.881 -13.579 1.00 0.00 O ATOM 0 H SER A 49 -9.475 7.593 -11.156 1.00 0.00 H new ATOM 0 HA SER A 49 -9.296 4.763 -11.889 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.235 6.963 -12.168 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.337 5.458 -13.060 1.00 0.00 H new ATOM 0 HG SER A 49 -8.158 7.257 -14.277 1.00 0.00 H new ATOM 734 N GLN A 50 -7.345 4.068 -10.352 1.00 0.00 N ATOM 735 CA GLN A 50 -6.621 3.532 -9.205 1.00 0.00 C ATOM 736 C GLN A 50 -5.372 4.357 -8.897 1.00 0.00 C ATOM 737 O GLN A 50 -5.003 4.520 -7.732 1.00 0.00 O ATOM 738 CB GLN A 50 -6.263 2.062 -9.433 1.00 0.00 C ATOM 739 CG GLN A 50 -7.453 1.229 -9.891 1.00 0.00 C ATOM 740 CD GLN A 50 -7.357 -0.235 -9.503 1.00 0.00 C ATOM 741 OE1 GLN A 50 -6.792 -1.054 -10.225 1.00 0.00 O ATOM 742 NE2 GLN A 50 -7.939 -0.571 -8.364 1.00 0.00 N ATOM 0 H GLN A 50 -7.334 3.471 -11.179 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.277 3.595 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.471 1.997 -10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.865 1.642 -8.509 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.365 1.649 -9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.542 1.304 -10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.397 0.142 -7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.930 -1.543 -8.054 1.00 0.00 H new ATOM 751 N ARG A 51 -4.732 4.895 -9.930 1.00 0.00 N ATOM 752 CA ARG A 51 -3.580 5.770 -9.722 1.00 0.00 C ATOM 753 C ARG A 51 -4.043 7.088 -9.119 1.00 0.00 C ATOM 754 O ARG A 51 -3.387 7.650 -8.242 1.00 0.00 O ATOM 755 CB ARG A 51 -2.831 6.050 -11.026 1.00 0.00 C ATOM 756 CG ARG A 51 -2.548 4.820 -11.870 1.00 0.00 C ATOM 757 CD ARG A 51 -1.717 5.177 -13.092 1.00 0.00 C ATOM 758 NE ARG A 51 -1.806 4.156 -14.135 1.00 0.00 N ATOM 759 CZ ARG A 51 -1.713 4.406 -15.443 1.00 0.00 C ATOM 760 NH1 ARG A 51 -1.523 5.645 -15.885 1.00 0.00 N ATOM 761 NH2 ARG A 51 -1.817 3.408 -16.309 1.00 0.00 N ATOM 0 H ARG A 51 -4.985 4.745 -10.907 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.897 5.259 -9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.413 6.755 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.885 6.537 -10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.020 4.077 -11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.488 4.366 -12.185 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.054 6.133 -13.492 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.675 5.304 -12.797 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.949 3.189 -13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.447 6.417 -15.222 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.453 5.824 -16.887 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.967 2.456 -15.975 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.747 3.592 -17.310 1.00 0.00 H new ATOM 775 N GLN A 52 -5.199 7.557 -9.577 1.00 0.00 N ATOM 776 CA GLN A 52 -5.771 8.805 -9.091 1.00 0.00 C ATOM 777 C GLN A 52 -6.134 8.668 -7.620 1.00 0.00 C ATOM 778 O GLN A 52 -5.949 9.598 -6.835 1.00 0.00 O ATOM 779 CB GLN A 52 -7.010 9.178 -9.918 1.00 0.00 C ATOM 780 CG GLN A 52 -7.800 10.360 -9.367 1.00 0.00 C ATOM 781 CD GLN A 52 -7.015 11.658 -9.356 1.00 0.00 C ATOM 782 OE1 GLN A 52 -6.140 11.881 -10.195 1.00 0.00 O ATOM 783 NE2 GLN A 52 -7.332 12.526 -8.406 1.00 0.00 N ATOM 0 H GLN A 52 -5.760 7.088 -10.288 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.034 9.601 -9.198 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.697 9.408 -10.936 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.668 8.311 -9.976 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.702 10.495 -9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.122 10.130 -8.351 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.063 12.300 -7.732 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.845 13.420 -8.349 1.00 0.00 H new ATOM 792 N ALA A 53 -6.625 7.487 -7.254 1.00 0.00 N ATOM 793 CA ALA A 53 -7.019 7.209 -5.882 1.00 0.00 C ATOM 794 C ALA A 53 -5.827 7.342 -4.946 1.00 0.00 C ATOM 795 O ALA A 53 -5.919 7.994 -3.911 1.00 0.00 O ATOM 796 CB ALA A 53 -7.640 5.825 -5.774 1.00 0.00 C ATOM 0 H ALA A 53 -6.759 6.705 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.769 7.942 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.928 5.635 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.522 5.771 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.915 5.075 -6.092 1.00 0.00 H new ATOM 802 N LEU A 54 -4.694 6.757 -5.325 1.00 0.00 N ATOM 803 CA LEU A 54 -3.481 6.864 -4.521 1.00 0.00 C ATOM 804 C LEU A 54 -3.044 8.313 -4.409 1.00 0.00 C ATOM 805 O LEU A 54 -2.745 8.798 -3.321 1.00 0.00 O ATOM 806 CB LEU A 54 -2.343 6.041 -5.129 1.00 0.00 C ATOM 807 CG LEU A 54 -2.392 4.544 -4.842 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.217 3.835 -5.498 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.401 4.300 -3.339 1.00 0.00 C ATOM 0 H LEU A 54 -4.591 6.208 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.708 6.474 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.349 6.187 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.396 6.434 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.310 4.136 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.269 2.768 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.255 3.989 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.284 4.239 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.436 3.228 -3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.497 4.720 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.276 4.778 -2.898 1.00 0.00 H new ATOM 821 N VAL A 55 -3.034 8.997 -5.540 1.00 0.00 N ATOM 822 CA VAL A 55 -2.616 10.387 -5.592 1.00 0.00 C ATOM 823 C VAL A 55 -3.452 11.247 -4.646 1.00 0.00 C ATOM 824 O VAL A 55 -2.904 11.993 -3.833 1.00 0.00 O ATOM 825 CB VAL A 55 -2.705 10.943 -7.030 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.499 12.450 -7.054 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.684 10.257 -7.922 1.00 0.00 C ATOM 0 H VAL A 55 -3.313 8.609 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.575 10.427 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.705 10.736 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.568 12.810 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.266 12.932 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.515 12.689 -6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.757 10.658 -8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.682 10.436 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.880 9.185 -7.942 1.00 0.00 H new ATOM 837 N ARG A 56 -4.770 11.118 -4.732 1.00 0.00 N ATOM 838 CA ARG A 56 -5.653 11.915 -3.892 1.00 0.00 C ATOM 839 C ARG A 56 -5.573 11.480 -2.426 1.00 0.00 C ATOM 840 O ARG A 56 -5.480 12.325 -1.539 1.00 0.00 O ATOM 841 CB ARG A 56 -7.101 11.900 -4.421 1.00 0.00 C ATOM 842 CG ARG A 56 -7.755 10.528 -4.531 1.00 0.00 C ATOM 843 CD ARG A 56 -8.628 10.212 -3.326 1.00 0.00 C ATOM 844 NE ARG A 56 -9.522 9.079 -3.580 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.356 8.572 -2.671 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.378 9.063 -1.439 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.162 7.569 -2.992 1.00 0.00 N ATOM 0 H ARG A 56 -5.246 10.477 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.308 12.948 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.713 12.521 -3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.112 12.367 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.360 10.487 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.982 9.765 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.995 9.989 -2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.220 11.090 -3.066 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.505 8.653 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.756 9.830 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.017 8.673 -0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.145 7.183 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.799 7.183 -2.295 1.00 0.00 H new ATOM 861 N GLU A 57 -5.570 10.173 -2.175 1.00 0.00 N ATOM 862 CA GLU A 57 -5.515 9.656 -0.806 1.00 0.00 C ATOM 863 C GLU A 57 -4.235 10.076 -0.092 1.00 0.00 C ATOM 864 O GLU A 57 -4.283 10.535 1.045 1.00 0.00 O ATOM 865 CB GLU A 57 -5.644 8.132 -0.792 1.00 0.00 C ATOM 866 CG GLU A 57 -7.061 7.631 -1.030 1.00 0.00 C ATOM 867 CD GLU A 57 -7.996 7.931 0.127 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.299 9.120 0.365 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.438 6.976 0.800 1.00 0.00 O ATOM 0 H GLU A 57 -5.605 9.453 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.359 10.089 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.988 7.715 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.293 7.756 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.455 8.089 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.036 6.555 -1.201 1.00 0.00 H new ATOM 876 N LEU A 58 -3.088 9.936 -0.749 1.00 0.00 N ATOM 877 CA LEU A 58 -1.825 10.318 -0.123 1.00 0.00 C ATOM 878 C LEU A 58 -1.777 11.820 0.094 1.00 0.00 C ATOM 879 O LEU A 58 -1.180 12.297 1.045 1.00 0.00 O ATOM 880 CB LEU A 58 -0.619 9.900 -0.958 1.00 0.00 C ATOM 881 CG LEU A 58 -0.590 8.435 -1.391 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.707 8.123 -2.119 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.776 7.512 -0.199 1.00 0.00 C ATOM 0 H LEU A 58 -3.005 9.568 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.776 9.797 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.584 10.525 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.286 10.109 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.420 8.265 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.712 7.076 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.789 8.756 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.551 8.314 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.751 6.475 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.026 7.680 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.736 7.718 0.274 1.00 0.00 H new ATOM 895 N ARG A 59 -2.385 12.564 -0.810 1.00 0.00 N ATOM 896 CA ARG A 59 -2.486 14.005 -0.654 1.00 0.00 C ATOM 897 C ARG A 59 -3.332 14.367 0.565 1.00 0.00 C ATOM 898 O ARG A 59 -3.072 15.364 1.241 1.00 0.00 O ATOM 899 CB ARG A 59 -3.069 14.628 -1.920 1.00 0.00 C ATOM 900 CG ARG A 59 -3.274 16.128 -1.829 1.00 0.00 C ATOM 901 CD ARG A 59 -3.639 16.708 -3.180 1.00 0.00 C ATOM 902 NE ARG A 59 -4.877 17.477 -3.136 1.00 0.00 N ATOM 903 CZ ARG A 59 -5.242 18.344 -4.075 1.00 0.00 C ATOM 904 NH1 ARG A 59 -4.418 18.634 -5.077 1.00 0.00 N ATOM 905 NH2 ARG A 59 -6.427 18.935 -4.002 1.00 0.00 N ATOM 0 H ARG A 59 -2.816 12.197 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.485 14.406 -0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.406 14.412 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.025 14.153 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.063 16.348 -1.110 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.364 16.601 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.829 17.348 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.741 15.900 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.499 17.342 -2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.501 18.190 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.703 19.300 -5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.055 18.724 -3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.710 19.601 -4.721 1.00 0.00 H new ATOM 919 N GLU A 60 -4.331 13.551 0.854 1.00 0.00 N ATOM 920 CA GLU A 60 -5.212 13.815 1.979 1.00 0.00 C ATOM 921 C GLU A 60 -4.654 13.228 3.273 1.00 0.00 C ATOM 922 O GLU A 60 -4.819 13.809 4.347 1.00 0.00 O ATOM 923 CB GLU A 60 -6.618 13.276 1.702 1.00 0.00 C ATOM 924 CG GLU A 60 -7.229 13.831 0.425 1.00 0.00 C ATOM 925 CD GLU A 60 -8.740 13.700 0.378 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.419 14.434 1.131 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.253 12.890 -0.423 1.00 0.00 O ATOM 0 H GLU A 60 -4.552 12.705 0.329 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.275 14.896 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.577 12.189 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.266 13.520 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.959 14.883 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.799 13.311 -0.431 1.00 0.00 H new ATOM 934 N GLU A 61 -3.993 12.082 3.172 1.00 0.00 N ATOM 935 CA GLU A 61 -3.396 11.447 4.342 1.00 0.00 C ATOM 936 C GLU A 61 -1.993 11.956 4.612 1.00 0.00 C ATOM 937 O GLU A 61 -1.691 12.416 5.710 1.00 0.00 O ATOM 938 CB GLU A 61 -3.300 9.936 4.170 1.00 0.00 C ATOM 939 CG GLU A 61 -4.576 9.185 4.436 1.00 0.00 C ATOM 940 CD GLU A 61 -4.302 7.973 5.294 1.00 0.00 C ATOM 941 OE1 GLU A 61 -3.635 8.134 6.350 1.00 0.00 O ATOM 942 OE2 GLU A 61 -4.742 6.864 4.937 1.00 0.00 O ATOM 0 H GLU A 61 -3.857 11.575 2.298 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.051 11.697 5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.975 9.721 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.527 9.557 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.293 9.837 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.028 8.877 3.493 1.00 0.00 H new ATOM 949 N LEU A 62 -1.148 11.883 3.599 1.00 0.00 N ATOM 950 CA LEU A 62 0.273 12.102 3.780 1.00 0.00 C ATOM 951 C LEU A 62 0.676 13.495 3.334 1.00 0.00 C ATOM 952 O LEU A 62 1.857 13.825 3.337 1.00 0.00 O ATOM 953 CB LEU A 62 1.076 11.059 2.994 1.00 0.00 C ATOM 954 CG LEU A 62 0.647 9.600 3.182 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.512 8.693 2.327 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.733 9.187 4.643 1.00 0.00 C ATOM 0 H LEU A 62 -1.424 11.673 2.640 1.00 0.00 H new ATOM 0 HA LEU A 62 0.491 12.003 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.010 11.303 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.125 11.148 3.277 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.392 9.505 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.201 7.657 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.401 8.968 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.556 8.801 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.423 8.147 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.760 9.295 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.078 9.822 5.240 1.00 0.00 H new ATOM 968 N GLY A 63 -0.306 14.318 2.980 1.00 0.00 N ATOM 969 CA GLY A 63 -0.023 15.643 2.457 1.00 0.00 C ATOM 970 C GLY A 63 0.909 15.649 1.256 1.00 0.00 C ATOM 971 O GLY A 63 1.567 16.656 0.993 1.00 0.00 O ATOM 0 H GLY A 63 -1.298 14.090 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.962 16.120 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.418 16.248 3.249 1.00 0.00 H new ATOM 975 N ILE A 64 0.967 14.546 0.515 1.00 0.00 N ATOM 976 CA ILE A 64 1.855 14.473 -0.638 1.00 0.00 C ATOM 977 C ILE A 64 1.102 14.070 -1.899 1.00 0.00 C ATOM 978 O ILE A 64 0.280 13.155 -1.891 1.00 0.00 O ATOM 979 CB ILE A 64 3.046 13.499 -0.438 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.568 12.059 -0.242 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.917 13.929 0.731 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.704 11.065 -0.188 1.00 0.00 C ATOM 0 H ILE A 64 0.419 13.704 0.689 1.00 0.00 H new ATOM 0 HA ILE A 64 2.257 15.480 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 64 3.646 13.535 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.992 11.995 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.895 11.791 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.743 13.227 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.312 14.927 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.321 13.941 1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.303 10.061 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.266 11.104 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.364 11.312 0.644 1.00 0.00 H new ATOM 994 N GLU A 65 1.395 14.762 -2.981 1.00 0.00 N ATOM 995 CA GLU A 65 0.822 14.442 -4.273 1.00 0.00 C ATOM 996 C GLU A 65 1.786 13.529 -5.013 1.00 0.00 C ATOM 997 O GLU A 65 2.784 13.983 -5.574 1.00 0.00 O ATOM 998 CB GLU A 65 0.541 15.722 -5.071 1.00 0.00 C ATOM 999 CG GLU A 65 -0.282 16.735 -4.292 1.00 0.00 C ATOM 1000 CD GLU A 65 -0.714 17.927 -5.125 1.00 0.00 C ATOM 1001 OE1 GLU A 65 0.106 18.844 -5.324 1.00 0.00 O ATOM 1002 OE2 GLU A 65 -1.887 17.953 -5.562 1.00 0.00 O ATOM 0 H GLU A 65 2.033 15.558 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.132 13.930 -4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.487 16.177 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.015 15.463 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.167 16.242 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.300 17.088 -3.441 1.00 0.00 H new ATOM 1009 N ALA A 66 1.507 12.237 -4.960 1.00 0.00 N ATOM 1010 CA ALA A 66 2.431 11.229 -5.463 1.00 0.00 C ATOM 1011 C ALA A 66 2.364 11.081 -6.977 1.00 0.00 C ATOM 1012 O ALA A 66 1.360 11.413 -7.607 1.00 0.00 O ATOM 1013 CB ALA A 66 2.149 9.891 -4.805 1.00 0.00 C ATOM 0 H ALA A 66 0.643 11.858 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 66 3.438 11.563 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.845 9.144 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.272 9.983 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.127 9.584 -5.029 1.00 0.00 H new ATOM 1019 N THR A 67 3.447 10.570 -7.544 1.00 0.00 N ATOM 1020 CA THR A 67 3.506 10.248 -8.958 1.00 0.00 C ATOM 1021 C THR A 67 3.475 8.729 -9.115 1.00 0.00 C ATOM 1022 O THR A 67 4.458 8.055 -8.810 1.00 0.00 O ATOM 1023 CB THR A 67 4.796 10.803 -9.603 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.896 12.216 -9.378 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.825 10.527 -11.099 1.00 0.00 C ATOM 0 H THR A 67 4.308 10.368 -7.035 1.00 0.00 H new ATOM 0 HA THR A 67 2.652 10.704 -9.459 1.00 0.00 H new ATOM 0 HB THR A 67 5.643 10.298 -9.139 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.718 12.555 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.744 10.929 -11.525 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.785 9.451 -11.271 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.967 11.003 -11.573 1.00 0.00 H new ATOM 1033 N VAL A 68 2.347 8.186 -9.553 1.00 0.00 N ATOM 1034 CA VAL A 68 2.201 6.742 -9.666 1.00 0.00 C ATOM 1035 C VAL A 68 2.880 6.239 -10.934 1.00 0.00 C ATOM 1036 O VAL A 68 2.655 6.778 -12.019 1.00 0.00 O ATOM 1037 CB VAL A 68 0.714 6.329 -9.673 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.571 4.818 -9.750 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.003 6.875 -8.442 1.00 0.00 C ATOM 0 H VAL A 68 1.525 8.720 -9.834 1.00 0.00 H new ATOM 0 HA VAL A 68 2.679 6.291 -8.797 1.00 0.00 H new ATOM 0 HB VAL A 68 0.246 6.757 -10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.486 4.552 -9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.040 4.454 -10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.057 4.362 -8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.044 6.574 -8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.476 6.479 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.068 7.963 -8.437 1.00 0.00 H new ATOM 1049 N GLY A 69 3.721 5.220 -10.791 1.00 0.00 N ATOM 1050 CA GLY A 69 4.453 4.707 -11.928 1.00 0.00 C ATOM 1051 C GLY A 69 4.506 3.189 -11.976 1.00 0.00 C ATOM 1052 O GLY A 69 3.676 2.542 -12.615 1.00 0.00 O ATOM 0 H GLY A 69 3.907 4.743 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.992 5.076 -12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.470 5.098 -11.903 1.00 0.00 H new ATOM 1056 N GLU A 70 5.481 2.624 -11.281 1.00 0.00 N ATOM 1057 CA GLU A 70 5.803 1.205 -11.405 1.00 0.00 C ATOM 1058 C GLU A 70 5.000 0.319 -10.445 1.00 0.00 C ATOM 1059 O GLU A 70 4.973 0.535 -9.230 1.00 0.00 O ATOM 1060 CB GLU A 70 7.311 1.001 -11.222 1.00 0.00 C ATOM 1061 CG GLU A 70 7.901 1.791 -10.067 1.00 0.00 C ATOM 1062 CD GLU A 70 9.411 1.780 -10.058 1.00 0.00 C ATOM 1063 OE1 GLU A 70 10.019 2.549 -10.831 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.998 1.021 -9.263 1.00 0.00 O ATOM 0 H GLU A 70 6.070 3.129 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 70 5.514 0.890 -12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.508 -0.059 -11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.821 1.285 -12.142 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.551 2.822 -10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.534 1.379 -9.127 1.00 0.00 H new ATOM 1071 N TYR A 71 4.342 -0.676 -11.032 1.00 0.00 N ATOM 1072 CA TYR A 71 3.511 -1.642 -10.312 1.00 0.00 C ATOM 1073 C TYR A 71 4.379 -2.694 -9.617 1.00 0.00 C ATOM 1074 O TYR A 71 5.285 -3.252 -10.236 1.00 0.00 O ATOM 1075 CB TYR A 71 2.597 -2.314 -11.342 1.00 0.00 C ATOM 1076 CG TYR A 71 1.335 -2.943 -10.800 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.260 -2.153 -10.435 1.00 0.00 C ATOM 1078 CD2 TYR A 71 1.202 -4.322 -10.698 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.914 -2.711 -9.975 1.00 0.00 C ATOM 1080 CE2 TYR A 71 0.026 -4.889 -10.247 1.00 0.00 C ATOM 1081 CZ TYR A 71 -1.027 -4.077 -9.887 1.00 0.00 C ATOM 1082 OH TYR A 71 -2.205 -4.632 -9.449 1.00 0.00 O ATOM 0 H TYR A 71 4.370 -0.839 -12.039 1.00 0.00 H new ATOM 0 HA TYR A 71 2.927 -1.137 -9.542 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.317 -1.571 -12.089 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.170 -3.084 -11.858 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.342 -1.079 -10.512 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.029 -4.959 -10.975 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.740 -2.078 -9.686 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.067 -5.963 -10.177 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.153 -4.790 -8.483 1.00 0.00 H new ATOM 1092 N VAL A 72 4.110 -2.966 -8.339 1.00 0.00 N ATOM 1093 CA VAL A 72 4.884 -3.970 -7.605 1.00 0.00 C ATOM 1094 C VAL A 72 4.175 -5.322 -7.585 1.00 0.00 C ATOM 1095 O VAL A 72 4.598 -6.259 -8.261 1.00 0.00 O ATOM 1096 CB VAL A 72 5.144 -3.534 -6.144 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.925 -4.606 -5.384 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.885 -2.208 -6.111 1.00 0.00 C ATOM 0 H VAL A 72 3.374 -2.513 -7.797 1.00 0.00 H new ATOM 0 HA VAL A 72 5.834 -4.064 -8.131 1.00 0.00 H new ATOM 0 HB VAL A 72 4.181 -3.406 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.095 -4.275 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.354 -5.535 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.884 -4.774 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.060 -1.915 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.840 -2.312 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.287 -1.444 -6.608 1.00 0.00 H new ATOM 1108 N ALA A 73 3.081 -5.406 -6.835 1.00 0.00 N ATOM 1109 CA ALA A 73 2.332 -6.657 -6.707 1.00 0.00 C ATOM 1110 C ALA A 73 0.925 -6.395 -6.190 1.00 0.00 C ATOM 1111 O ALA A 73 0.530 -5.243 -6.005 1.00 0.00 O ATOM 1112 CB ALA A 73 3.060 -7.617 -5.777 1.00 0.00 C ATOM 0 H ALA A 73 2.692 -4.626 -6.306 1.00 0.00 H new ATOM 0 HA ALA A 73 2.257 -7.110 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.491 -8.543 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.049 -7.835 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.162 -7.162 -4.792 1.00 0.00 H new ATOM 1118 N SER A 74 0.161 -7.455 -5.974 1.00 0.00 N ATOM 1119 CA SER A 74 -1.183 -7.327 -5.435 1.00 0.00 C ATOM 1120 C SER A 74 -1.556 -8.545 -4.601 1.00 0.00 C ATOM 1121 O SER A 74 -0.994 -9.627 -4.780 1.00 0.00 O ATOM 1122 CB SER A 74 -2.180 -7.131 -6.573 1.00 0.00 C ATOM 1123 OG SER A 74 -1.872 -5.952 -7.290 1.00 0.00 O ATOM 0 H SER A 74 0.450 -8.415 -6.164 1.00 0.00 H new ATOM 0 HA SER A 74 -1.213 -6.455 -4.782 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.153 -7.991 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.192 -7.069 -6.174 1.00 0.00 H new ATOM 0 HG SER A 74 -1.110 -5.503 -6.869 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.498 -8.365 -3.683 1.00 0.00 N ATOM 1130 CA HIS A 75 -2.943 -9.454 -2.823 1.00 0.00 C ATOM 1131 C HIS A 75 -4.449 -9.386 -2.613 1.00 0.00 C ATOM 1132 O HIS A 75 -5.028 -8.298 -2.543 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.237 -9.402 -1.462 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.520 -10.595 -0.590 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -3.055 -10.489 0.679 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -2.340 -11.922 -0.807 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -3.188 -11.697 1.202 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -2.764 -12.579 0.322 1.00 0.00 N ATOM 0 H HIS A 75 -2.968 -7.475 -3.515 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.689 -10.392 -3.317 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.162 -9.327 -1.623 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.545 -8.498 -0.937 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.938 -12.377 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.578 -11.921 2.184 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.752 -13.590 0.457 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.073 -10.548 -2.516 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.493 -10.633 -2.219 1.00 0.00 C ATOM 1149 C GLN A 76 -6.732 -11.183 -0.822 1.00 0.00 C ATOM 1150 O GLN A 76 -6.003 -12.054 -0.349 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.209 -11.503 -3.247 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.541 -10.762 -4.524 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.144 -11.669 -5.575 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.357 -11.854 -5.632 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -7.300 -12.228 -6.425 1.00 0.00 N ATOM 0 H GLN A 76 -4.615 -11.451 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.898 -9.622 -2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.583 -12.363 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.129 -11.890 -2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.238 -9.954 -4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.636 -10.302 -4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.299 -12.048 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.649 -12.839 -7.163 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.738 -10.636 -0.166 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.211 -11.134 1.115 1.00 0.00 C ATOM 1166 C ARG A 77 -9.679 -10.787 1.206 1.00 0.00 C ATOM 1167 O ARG A 77 -10.189 -10.112 0.323 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.428 -10.515 2.279 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.629 -9.017 2.437 1.00 0.00 C ATOM 1170 CD ARG A 77 -6.841 -8.482 3.620 1.00 0.00 C ATOM 1171 NE ARG A 77 -6.988 -7.033 3.783 1.00 0.00 N ATOM 1172 CZ ARG A 77 -6.842 -6.398 4.949 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -6.676 -7.093 6.066 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -6.890 -5.069 5.004 1.00 0.00 N ATOM 0 H ARG A 77 -8.255 -9.827 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.062 -12.212 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.723 -11.010 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.366 -10.715 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.315 -8.507 1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.689 -8.801 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.173 -8.982 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.786 -8.725 3.490 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.215 -6.477 2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.660 -8.112 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.564 -6.608 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.039 -4.528 4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.778 -4.591 5.898 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.374 -11.240 2.223 1.00 0.00 N ATOM 1189 CA GLU A 78 -11.784 -10.925 2.314 1.00 0.00 C ATOM 1190 C GLU A 78 -12.138 -10.256 3.633 1.00 0.00 C ATOM 1191 O GLU A 78 -11.479 -10.455 4.653 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.645 -12.169 2.113 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.680 -13.092 3.313 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.660 -14.225 3.128 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -14.867 -14.008 3.357 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -13.233 -15.334 2.737 1.00 0.00 O ATOM 0 H GLU A 78 -10.002 -11.812 2.981 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.995 -10.218 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.663 -11.860 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.271 -12.723 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.684 -13.499 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.950 -12.521 4.201 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.177 -9.445 3.581 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.754 -8.844 4.761 1.00 0.00 C ATOM 1205 C VAL A 79 -15.242 -9.201 4.814 1.00 0.00 C ATOM 1206 O VAL A 79 -16.077 -8.561 4.170 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.545 -7.307 4.802 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -13.995 -6.645 3.509 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.259 -6.690 5.998 1.00 0.00 C ATOM 0 H VAL A 79 -13.645 -9.185 2.713 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.245 -9.241 5.640 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.475 -7.128 4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.833 -5.569 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.420 -7.048 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.055 -6.843 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.096 -5.612 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.327 -6.895 5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -13.865 -7.120 6.919 1.00 0.00 H new ATOM 1219 N SER A 80 -15.549 -10.267 5.546 1.00 0.00 N ATOM 1220 CA SER A 80 -16.915 -10.774 5.667 1.00 0.00 C ATOM 1221 C SER A 80 -17.568 -10.989 4.295 1.00 0.00 C ATOM 1222 O SER A 80 -18.517 -10.294 3.931 1.00 0.00 O ATOM 1223 CB SER A 80 -17.760 -9.819 6.513 1.00 0.00 C ATOM 1224 OG SER A 80 -17.149 -9.587 7.772 1.00 0.00 O ATOM 0 H SER A 80 -14.860 -10.805 6.072 1.00 0.00 H new ATOM 0 HA SER A 80 -16.864 -11.744 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.887 -8.874 5.985 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.755 -10.239 6.659 1.00 0.00 H new ATOM 0 HG SER A 80 -17.704 -8.973 8.297 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.051 -11.947 3.528 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.628 -12.250 2.226 1.00 0.00 C ATOM 1232 C GLY A 81 -17.193 -11.305 1.114 1.00 0.00 C ATOM 1233 O GLY A 81 -17.301 -11.645 -0.063 1.00 0.00 O ATOM 0 H GLY A 81 -16.245 -12.518 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.356 -13.268 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.715 -12.221 2.307 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.718 -10.120 1.470 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.298 -9.143 0.469 1.00 0.00 C ATOM 1239 C ARG A 82 -14.814 -9.296 0.185 1.00 0.00 C ATOM 1240 O ARG A 82 -14.012 -9.358 1.105 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.590 -7.720 0.946 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.035 -7.498 1.357 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.269 -6.069 1.809 1.00 0.00 C ATOM 1244 NE ARG A 82 -19.602 -5.889 2.383 1.00 0.00 N ATOM 1245 CZ ARG A 82 -19.945 -4.862 3.162 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.075 -3.891 3.415 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.166 -4.797 3.680 1.00 0.00 N ATOM 0 H ARG A 82 -16.613 -9.811 2.436 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.861 -9.325 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.942 -7.489 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.336 -7.020 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.693 -7.728 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.295 -8.183 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.516 -5.794 2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.145 -5.395 0.961 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.312 -6.591 2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.138 -3.928 3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.343 -3.108 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.844 -5.533 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.426 -4.011 4.275 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.445 -9.334 -1.082 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.060 -9.590 -1.456 1.00 0.00 C ATOM 1263 C ILE A 83 -12.302 -8.281 -1.618 1.00 0.00 C ATOM 1264 O ILE A 83 -12.602 -7.488 -2.508 1.00 0.00 O ATOM 1265 CB ILE A 83 -12.949 -10.421 -2.765 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.328 -11.889 -2.528 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.541 -10.345 -3.340 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -14.784 -12.117 -2.191 1.00 0.00 C ATOM 0 H ILE A 83 -15.079 -9.192 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.616 -10.174 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.650 -9.991 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.081 -12.463 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.715 -12.282 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.489 -10.935 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.294 -9.307 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.830 -10.739 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -14.960 -13.182 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.036 -11.575 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.407 -11.758 -3.010 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.334 -8.049 -0.748 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.509 -6.862 -0.837 1.00 0.00 C ATOM 1282 C ILE A 84 -9.298 -7.137 -1.711 1.00 0.00 C ATOM 1283 O ILE A 84 -8.580 -8.123 -1.522 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.028 -6.349 0.534 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.588 -7.194 1.678 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.430 -4.903 0.737 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.636 -6.441 2.988 1.00 0.00 C ATOM 0 H ILE A 84 -11.102 -8.669 0.028 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.137 -6.086 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.941 -6.428 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.592 -7.529 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.975 -8.087 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.080 -4.561 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.984 -4.288 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.516 -4.817 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.042 -7.089 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.629 -6.128 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.272 -5.562 2.879 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.079 -6.253 -2.657 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.057 -6.435 -3.664 1.00 0.00 C ATOM 1301 C HIS A 85 -7.039 -5.308 -3.575 1.00 0.00 C ATOM 1302 O HIS A 85 -7.281 -4.203 -4.063 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.730 -6.458 -5.034 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.901 -7.027 -6.140 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -8.171 -6.778 -7.464 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -6.839 -7.865 -6.123 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -7.317 -7.443 -8.219 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.497 -8.113 -7.429 1.00 0.00 N ATOM 0 H HIS A 85 -9.606 -5.385 -2.751 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.529 -7.375 -3.506 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.652 -7.035 -4.959 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.012 -5.439 -5.300 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.916 -6.173 -7.810 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.351 -8.264 -5.246 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.293 -7.440 -9.299 1.00 0.00 H new ATOM 1317 N LEU A 86 -5.913 -5.584 -2.933 1.00 0.00 N ATOM 1318 CA LEU A 86 -4.898 -4.563 -2.707 1.00 0.00 C ATOM 1319 C LEU A 86 -3.873 -4.534 -3.830 1.00 0.00 C ATOM 1320 O LEU A 86 -3.299 -5.562 -4.182 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.192 -4.780 -1.366 1.00 0.00 C ATOM 1322 CG LEU A 86 -4.933 -4.228 -0.143 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.072 -5.151 0.267 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -3.969 -4.013 1.014 1.00 0.00 C ATOM 0 H LEU A 86 -5.679 -6.504 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.410 -3.601 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.036 -5.849 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.206 -4.317 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.364 -3.264 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.581 -4.736 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.779 -5.244 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.672 -6.134 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.513 -3.621 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.504 -4.962 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.198 -3.302 0.718 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.656 -3.348 -4.390 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.671 -3.155 -5.454 1.00 0.00 C ATOM 1338 C HIS A 87 -1.518 -2.306 -4.937 1.00 0.00 C ATOM 1339 O HIS A 87 -1.716 -1.148 -4.585 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.299 -2.447 -6.662 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.513 -3.121 -7.222 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -4.497 -3.859 -8.381 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -5.792 -3.137 -6.789 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -5.713 -4.293 -8.640 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.521 -3.870 -7.688 1.00 0.00 N ATOM 0 H HIS A 87 -4.153 -2.498 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.311 -4.136 -5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.566 -1.431 -6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.549 -2.367 -7.449 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -3.672 -4.042 -8.952 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.171 -2.659 -5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.000 -4.895 -9.490 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.522 -4.057 -7.630 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.324 -2.877 -4.891 1.00 0.00 N ATOM 1355 CA ALA A 88 0.838 -2.163 -4.378 1.00 0.00 C ATOM 1356 C ALA A 88 1.620 -1.497 -5.506 1.00 0.00 C ATOM 1357 O ALA A 88 2.149 -2.168 -6.397 1.00 0.00 O ATOM 1358 CB ALA A 88 1.733 -3.106 -3.587 1.00 0.00 C ATOM 0 H ALA A 88 -0.133 -3.830 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 88 0.484 -1.377 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.597 -2.558 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.173 -3.521 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.071 -3.915 -4.234 1.00 0.00 H new ATOM 1364 N TRP A 89 1.670 -0.175 -5.464 1.00 0.00 N ATOM 1365 CA TRP A 89 2.445 0.611 -6.415 1.00 0.00 C ATOM 1366 C TRP A 89 3.672 1.200 -5.729 1.00 0.00 C ATOM 1367 O TRP A 89 3.603 1.605 -4.571 1.00 0.00 O ATOM 1368 CB TRP A 89 1.597 1.751 -6.985 1.00 0.00 C ATOM 1369 CG TRP A 89 1.056 1.498 -8.357 1.00 0.00 C ATOM 1370 CD1 TRP A 89 1.766 1.474 -9.521 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.311 1.265 -8.717 1.00 0.00 C ATOM 1372 NE1 TRP A 89 0.930 1.230 -10.580 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -0.350 1.099 -10.114 1.00 0.00 C ATOM 1374 CE3 TRP A 89 -1.506 1.176 -7.996 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.535 0.851 -10.804 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 -2.680 0.931 -8.681 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -2.687 0.771 -10.071 1.00 0.00 C ATOM 0 H TRP A 89 1.175 0.385 -4.770 1.00 0.00 H new ATOM 0 HA TRP A 89 2.757 -0.046 -7.227 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.763 1.939 -6.309 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.200 2.659 -7.008 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.833 1.625 -9.598 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.216 1.158 -11.557 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -1.511 1.297 -6.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.543 0.727 -11.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.609 0.862 -8.134 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.622 0.580 -10.576 1.00 0.00 H new ATOM 1388 N HIS A 90 4.793 1.250 -6.434 1.00 0.00 N ATOM 1389 CA HIS A 90 5.997 1.870 -5.897 1.00 0.00 C ATOM 1390 C HIS A 90 6.037 3.339 -6.296 1.00 0.00 C ATOM 1391 O HIS A 90 6.023 3.670 -7.482 1.00 0.00 O ATOM 1392 CB HIS A 90 7.253 1.132 -6.384 1.00 0.00 C ATOM 1393 CG HIS A 90 8.560 1.767 -5.983 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.649 1.828 -6.824 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.955 2.351 -4.824 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.652 2.421 -6.207 1.00 0.00 C ATOM 1397 NE2 HIS A 90 10.262 2.749 -4.992 1.00 0.00 N ATOM 0 H HIS A 90 4.895 0.871 -7.375 1.00 0.00 H new ATOM 0 HA HIS A 90 5.977 1.803 -4.809 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.229 0.112 -6.000 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.218 1.064 -7.471 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.676 1.469 -7.778 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.356 2.480 -3.935 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.629 2.607 -6.627 1.00 0.00 H new ATOM 1406 N VAL A 91 6.072 4.211 -5.300 1.00 0.00 N ATOM 1407 CA VAL A 91 6.089 5.644 -5.540 1.00 0.00 C ATOM 1408 C VAL A 91 7.525 6.144 -5.652 1.00 0.00 C ATOM 1409 O VAL A 91 8.280 6.113 -4.680 1.00 0.00 O ATOM 1410 CB VAL A 91 5.357 6.408 -4.414 1.00 0.00 C ATOM 1411 CG1 VAL A 91 5.351 7.907 -4.680 1.00 0.00 C ATOM 1412 CG2 VAL A 91 3.935 5.888 -4.253 1.00 0.00 C ATOM 0 H VAL A 91 6.089 3.949 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 91 5.567 5.831 -6.478 1.00 0.00 H new ATOM 0 HB VAL A 91 5.898 6.235 -3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.829 8.418 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.377 8.271 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.843 8.107 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.435 6.438 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.389 6.026 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.962 4.828 -4.001 1.00 0.00 H new ATOM 1422 N PRO A 92 7.918 6.584 -6.856 1.00 0.00 N ATOM 1423 CA PRO A 92 9.269 7.079 -7.119 1.00 0.00 C ATOM 1424 C PRO A 92 9.500 8.485 -6.566 1.00 0.00 C ATOM 1425 O PRO A 92 10.610 8.827 -6.161 1.00 0.00 O ATOM 1426 CB PRO A 92 9.350 7.072 -8.648 1.00 0.00 C ATOM 1427 CG PRO A 92 7.942 7.247 -9.111 1.00 0.00 C ATOM 1428 CD PRO A 92 7.070 6.610 -8.064 1.00 0.00 C ATOM 0 HA PRO A 92 10.031 6.468 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.988 7.877 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.773 6.138 -9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.700 8.303 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.791 6.776 -10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.159 7.186 -7.899 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.763 5.606 -8.358 1.00 0.00 H new ATOM 1436 N ASP A 93 8.440 9.286 -6.524 1.00 0.00 N ATOM 1437 CA ASP A 93 8.559 10.671 -6.088 1.00 0.00 C ATOM 1438 C ASP A 93 7.215 11.216 -5.625 1.00 0.00 C ATOM 1439 O ASP A 93 6.160 10.761 -6.075 1.00 0.00 O ATOM 1440 CB ASP A 93 9.121 11.547 -7.205 1.00 0.00 C ATOM 1441 CG ASP A 93 9.615 12.880 -6.682 1.00 0.00 C ATOM 1442 OD1 ASP A 93 10.445 12.880 -5.743 1.00 0.00 O ATOM 1443 OD2 ASP A 93 9.188 13.927 -7.204 1.00 0.00 O ATOM 0 H ASP A 93 7.496 9.002 -6.785 1.00 0.00 H new ATOM 0 HA ASP A 93 9.250 10.693 -5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.940 11.025 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.350 11.715 -7.957 1.00 0.00 H new ATOM 1448 N PHE A 94 7.263 12.182 -4.717 1.00 0.00 N ATOM 1449 CA PHE A 94 6.059 12.758 -4.137 1.00 0.00 C ATOM 1450 C PHE A 94 6.194 14.272 -3.964 1.00 0.00 C ATOM 1451 O PHE A 94 7.257 14.774 -3.597 1.00 0.00 O ATOM 1452 CB PHE A 94 5.770 12.092 -2.786 1.00 0.00 C ATOM 1453 CG PHE A 94 6.916 12.174 -1.811 1.00 0.00 C ATOM 1454 CD1 PHE A 94 7.962 11.266 -1.877 1.00 0.00 C ATOM 1455 CD2 PHE A 94 6.953 13.163 -0.842 1.00 0.00 C ATOM 1456 CE1 PHE A 94 9.022 11.344 -0.995 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.011 13.247 0.043 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.047 12.336 -0.034 1.00 0.00 C ATOM 0 H PHE A 94 8.131 12.585 -4.365 1.00 0.00 H new ATOM 0 HA PHE A 94 5.228 12.575 -4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 94 4.892 12.560 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.522 11.044 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.948 10.489 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.145 13.877 -0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.830 10.630 -1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.028 14.023 0.794 1.00 0.00 H new ATOM 0 HZ PHE A 94 9.875 12.399 0.656 1.00 0.00 H new ATOM 1468 N HIS A 95 5.120 14.993 -4.261 1.00 0.00 N ATOM 1469 CA HIS A 95 5.071 16.438 -4.063 1.00 0.00 C ATOM 1470 C HIS A 95 4.526 16.765 -2.671 1.00 0.00 C ATOM 1471 O HIS A 95 3.395 16.414 -2.353 1.00 0.00 O ATOM 1472 CB HIS A 95 4.176 17.041 -5.159 1.00 0.00 C ATOM 1473 CG HIS A 95 3.888 18.509 -5.034 1.00 0.00 C ATOM 1474 ND1 HIS A 95 4.489 19.458 -5.826 1.00 0.00 N ATOM 1475 CD2 HIS A 95 3.015 19.180 -4.246 1.00 0.00 C ATOM 1476 CE1 HIS A 95 4.001 20.645 -5.533 1.00 0.00 C ATOM 1477 NE2 HIS A 95 3.105 20.505 -4.578 1.00 0.00 N ATOM 0 H HIS A 95 4.262 14.596 -4.644 1.00 0.00 H new ATOM 0 HA HIS A 95 6.072 16.864 -4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.648 16.864 -6.125 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.228 16.503 -5.164 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.368 18.750 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.287 21.577 -5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.566 21.261 -4.155 1.00 0.00 H new ATOM 1486 N GLY A 96 5.319 17.446 -1.854 1.00 0.00 N ATOM 1487 CA GLY A 96 4.871 17.805 -0.516 1.00 0.00 C ATOM 1488 C GLY A 96 5.697 17.145 0.573 1.00 0.00 C ATOM 1489 O GLY A 96 6.788 16.632 0.306 1.00 0.00 O ATOM 0 H GLY A 96 6.262 17.757 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.920 18.888 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.826 17.519 -0.398 1.00 0.00 H new ATOM 1493 N THR A 97 5.181 17.153 1.796 1.00 0.00 N ATOM 1494 CA THR A 97 5.859 16.548 2.927 1.00 0.00 C ATOM 1495 C THR A 97 4.958 15.492 3.561 1.00 0.00 C ATOM 1496 O THR A 97 3.813 15.775 3.917 1.00 0.00 O ATOM 1497 CB THR A 97 6.249 17.613 3.975 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.026 18.646 3.349 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.050 16.998 5.117 1.00 0.00 C ATOM 0 H THR A 97 4.283 17.579 2.027 1.00 0.00 H new ATOM 0 HA THR A 97 6.774 16.077 2.569 1.00 0.00 H new ATOM 0 HB THR A 97 5.332 18.034 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.270 19.321 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.309 17.773 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.452 16.230 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.962 16.550 4.722 1.00 0.00 H new ATOM 1507 N LEU A 98 5.482 14.279 3.703 1.00 0.00 N ATOM 1508 CA LEU A 98 4.667 13.151 4.120 1.00 0.00 C ATOM 1509 C LEU A 98 4.365 13.187 5.610 1.00 0.00 C ATOM 1510 O LEU A 98 5.259 13.253 6.456 1.00 0.00 O ATOM 1511 CB LEU A 98 5.302 11.823 3.702 1.00 0.00 C ATOM 1512 CG LEU A 98 6.827 11.756 3.772 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.299 11.264 5.133 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.346 10.873 2.654 1.00 0.00 C ATOM 0 H LEU A 98 6.463 14.056 3.536 1.00 0.00 H new ATOM 0 HA LEU A 98 3.711 13.234 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.894 11.034 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.995 11.603 2.679 1.00 0.00 H new ATOM 0 HG LEU A 98 7.230 12.761 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.388 11.228 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.947 11.945 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.900 10.266 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.434 10.825 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.933 9.870 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.045 11.289 1.692 1.00 0.00 H new ATOM 1526 N GLN A 99 3.080 13.159 5.908 1.00 0.00 N ATOM 1527 CA GLN A 99 2.585 13.243 7.268 1.00 0.00 C ATOM 1528 C GLN A 99 1.485 12.202 7.471 1.00 0.00 C ATOM 1529 O GLN A 99 1.014 11.612 6.507 1.00 0.00 O ATOM 1530 CB GLN A 99 2.054 14.658 7.517 1.00 0.00 C ATOM 1531 CG GLN A 99 0.802 14.986 6.717 1.00 0.00 C ATOM 1532 CD GLN A 99 0.397 16.436 6.854 1.00 0.00 C ATOM 1533 OE1 GLN A 99 -0.387 16.799 7.736 1.00 0.00 O ATOM 1534 NE2 GLN A 99 0.932 17.275 5.982 1.00 0.00 N ATOM 0 H GLN A 99 2.344 13.077 5.206 1.00 0.00 H new ATOM 0 HA GLN A 99 3.386 13.039 7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.838 14.775 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.833 15.379 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.975 14.757 5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.017 14.349 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 99 1.575 16.929 5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.701 18.268 6.022 1.00 0.00 H new ATOM 1543 N ALA A 100 1.091 11.955 8.707 1.00 0.00 N ATOM 1544 CA ALA A 100 0.022 11.000 8.970 1.00 0.00 C ATOM 1545 C ALA A 100 -1.265 11.712 9.351 1.00 0.00 C ATOM 1546 O ALA A 100 -1.284 12.540 10.262 1.00 0.00 O ATOM 1547 CB ALA A 100 0.425 10.020 10.057 1.00 0.00 C ATOM 0 H ALA A 100 1.487 12.395 9.538 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.156 10.441 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.390 9.318 10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.313 9.473 9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.641 10.565 10.976 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.338 11.389 8.639 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.646 11.955 8.932 1.00 0.00 C ATOM 1555 C HIS A 101 -4.600 10.870 9.420 1.00 0.00 C ATOM 1556 O HIS A 101 -5.077 10.923 10.550 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.222 12.650 7.698 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.546 13.316 7.942 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -5.746 14.252 8.935 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.739 13.171 7.320 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.004 14.652 8.913 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.624 14.012 7.945 1.00 0.00 N ATOM 0 H HIS A 101 -2.326 10.737 7.854 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.527 12.696 9.722 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.509 13.396 7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.336 11.917 6.899 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.954 12.516 6.488 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.448 15.380 9.576 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.607 14.124 7.698 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.877 9.894 8.563 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.740 8.780 8.933 1.00 0.00 C ATOM 1573 C GLU A 102 -4.936 7.741 9.705 1.00 0.00 C ATOM 1574 O GLU A 102 -5.452 7.067 10.596 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.355 8.154 7.684 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.234 9.101 6.881 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.512 9.468 7.597 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -9.512 8.734 7.446 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.531 10.495 8.305 1.00 0.00 O ATOM 0 H GLU A 102 -4.517 9.852 7.610 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.546 9.148 9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.554 7.788 7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.948 7.288 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.674 10.009 6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.479 8.638 5.925 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.664 7.616 9.349 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.741 6.761 10.087 1.00 0.00 C ATOM 1588 C HIS A 103 -2.116 7.556 11.232 1.00 0.00 C ATOM 1589 O HIS A 103 -2.304 8.769 11.317 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.650 6.203 9.165 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.166 5.299 8.079 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.814 5.752 6.951 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -2.113 3.954 7.954 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.134 4.726 6.185 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -2.719 3.625 6.769 1.00 0.00 N ATOM 0 H HIS A 103 -3.246 8.097 8.552 1.00 0.00 H new ATOM 0 HA HIS A 103 -3.296 5.916 10.494 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.116 7.035 8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.927 5.653 9.767 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.015 6.729 6.740 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.673 3.264 8.659 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.650 4.782 5.238 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.829 2.680 6.401 1.00 0.00 H new ATOM 1604 N GLN A 104 -1.376 6.885 12.108 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.840 7.538 13.300 1.00 0.00 C ATOM 1606 C GLN A 104 0.604 8.010 13.105 1.00 0.00 C ATOM 1607 O GLN A 104 0.868 9.208 13.084 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.944 6.598 14.502 1.00 0.00 C ATOM 1609 CG GLN A 104 -0.462 7.213 15.807 1.00 0.00 C ATOM 1610 CD GLN A 104 -0.903 6.419 17.022 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -2.080 5.814 16.942 1.00 0.00 O flip ATOM 1612 NE2 GLN A 104 -0.202 6.366 18.032 1.00 0.00 N flip ATOM 0 H GLN A 104 -1.134 5.898 12.018 1.00 0.00 H new ATOM 0 HA GLN A 104 -1.440 8.429 13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.982 6.287 14.619 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -0.363 5.698 14.299 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.626 7.277 15.794 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.841 8.232 15.886 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.698 6.845 18.054 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.521 5.843 18.847 1.00 0.00 H new ATOM 1621 N ALA A 105 1.534 7.074 12.964 1.00 0.00 N ATOM 1622 CA ALA A 105 2.948 7.423 12.834 1.00 0.00 C ATOM 1623 C ALA A 105 3.538 6.833 11.564 1.00 0.00 C ATOM 1624 O ALA A 105 2.962 5.910 10.982 1.00 0.00 O ATOM 1625 CB ALA A 105 3.724 6.943 14.048 1.00 0.00 C ATOM 0 H ALA A 105 1.339 6.073 12.937 1.00 0.00 H new ATOM 0 HA ALA A 105 3.026 8.509 12.774 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.775 7.210 13.937 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.323 7.414 14.946 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.632 5.860 14.134 1.00 0.00 H new ATOM 1631 N LEU A 106 4.689 7.354 11.142 1.00 0.00 N ATOM 1632 CA LEU A 106 5.356 6.884 9.932 1.00 0.00 C ATOM 1633 C LEU A 106 6.742 6.359 10.285 1.00 0.00 C ATOM 1634 O LEU A 106 7.443 6.955 11.102 1.00 0.00 O ATOM 1635 CB LEU A 106 5.539 8.010 8.895 1.00 0.00 C ATOM 1636 CG LEU A 106 4.282 8.751 8.417 1.00 0.00 C ATOM 1637 CD1 LEU A 106 3.154 7.783 8.094 1.00 0.00 C ATOM 1638 CD2 LEU A 106 3.849 9.799 9.433 1.00 0.00 C ATOM 0 H LEU A 106 5.180 8.106 11.625 1.00 0.00 H new ATOM 0 HA LEU A 106 4.726 6.104 9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.223 8.747 9.317 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.030 7.584 8.020 1.00 0.00 H new ATOM 0 HG LEU A 106 4.532 9.271 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.280 8.342 7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.474 7.102 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.899 7.211 8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.957 10.310 9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.629 9.314 10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.651 10.524 9.572 1.00 0.00 H new ATOM 1650 N VAL A 107 7.131 5.249 9.688 1.00 0.00 N ATOM 1651 CA VAL A 107 8.498 4.775 9.812 1.00 0.00 C ATOM 1652 C VAL A 107 9.048 4.428 8.436 1.00 0.00 C ATOM 1653 O VAL A 107 8.353 3.831 7.610 1.00 0.00 O ATOM 1654 CB VAL A 107 8.619 3.554 10.761 1.00 0.00 C ATOM 1655 CG1 VAL A 107 7.929 2.327 10.185 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.081 3.255 11.069 1.00 0.00 C ATOM 0 H VAL A 107 6.525 4.661 9.116 1.00 0.00 H new ATOM 0 HA VAL A 107 9.085 5.580 10.254 1.00 0.00 H new ATOM 0 HB VAL A 107 8.114 3.809 11.692 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.035 1.492 10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.871 2.542 10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.386 2.067 9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.144 2.395 11.736 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.610 3.035 10.142 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.536 4.121 11.550 1.00 0.00 H new ATOM 1666 N TRP A 108 10.271 4.850 8.173 1.00 0.00 N ATOM 1667 CA TRP A 108 10.934 4.522 6.926 1.00 0.00 C ATOM 1668 C TRP A 108 12.029 3.496 7.168 1.00 0.00 C ATOM 1669 O TRP A 108 13.019 3.760 7.853 1.00 0.00 O ATOM 1670 CB TRP A 108 11.488 5.780 6.246 1.00 0.00 C ATOM 1671 CG TRP A 108 11.930 6.846 7.202 1.00 0.00 C ATOM 1672 CD1 TRP A 108 13.148 6.961 7.797 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.149 7.953 7.665 1.00 0.00 C ATOM 1674 NE1 TRP A 108 13.172 8.068 8.610 1.00 0.00 N ATOM 1675 CE2 TRP A 108 11.956 8.697 8.543 1.00 0.00 C ATOM 1676 CE3 TRP A 108 9.843 8.386 7.421 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 11.500 9.850 9.180 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 9.391 9.530 8.051 1.00 0.00 C ATOM 1679 CH2 TRP A 108 10.217 10.252 8.920 1.00 0.00 C ATOM 0 H TRP A 108 10.826 5.422 8.809 1.00 0.00 H new ATOM 0 HA TRP A 108 10.200 4.085 6.249 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.332 5.498 5.617 1.00 0.00 H new ATOM 0 HB3 TRP A 108 10.723 6.191 5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 108 13.975 6.282 7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 108 13.966 8.373 9.173 1.00 0.00 H new ATOM 0 HE3 TRP A 108 9.198 7.836 6.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 12.135 10.406 9.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 8.383 9.873 7.870 1.00 0.00 H new ATOM 0 HH2 TRP A 108 9.835 11.144 9.395 1.00 0.00 H new ATOM 1690 N CYS A 109 11.833 2.325 6.596 1.00 0.00 N ATOM 1691 CA CYS A 109 12.740 1.210 6.799 1.00 0.00 C ATOM 1692 C CYS A 109 12.843 0.390 5.526 1.00 0.00 C ATOM 1693 O CYS A 109 11.940 0.419 4.696 1.00 0.00 O ATOM 1694 CB CYS A 109 12.279 0.343 7.976 1.00 0.00 C ATOM 1695 SG CYS A 109 10.558 -0.198 7.877 1.00 0.00 S ATOM 0 H CYS A 109 11.046 2.119 5.981 1.00 0.00 H new ATOM 0 HA CYS A 109 13.729 1.599 7.042 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.920 -0.536 8.037 1.00 0.00 H new ATOM 0 HB3 CYS A 109 12.418 0.903 8.900 1.00 0.00 H new ATOM 0 HG CYS A 109 10.272 -0.927 8.915 1.00 0.00 H new ATOM 1701 N SER A 110 13.934 -0.340 5.376 1.00 0.00 N ATOM 1702 CA SER A 110 14.191 -1.088 4.156 1.00 0.00 C ATOM 1703 C SER A 110 13.250 -2.295 4.078 1.00 0.00 C ATOM 1704 O SER A 110 12.688 -2.702 5.095 1.00 0.00 O ATOM 1705 CB SER A 110 15.659 -1.525 4.132 1.00 0.00 C ATOM 1706 OG SER A 110 16.075 -1.966 5.414 1.00 0.00 O ATOM 0 H SER A 110 14.660 -0.431 6.087 1.00 0.00 H new ATOM 0 HA SER A 110 14.002 -0.459 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.792 -2.327 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.285 -0.694 3.808 1.00 0.00 H new ATOM 0 HG SER A 110 16.447 -1.210 5.915 1.00 0.00 H new ATOM 1712 N PRO A 111 13.051 -2.871 2.877 1.00 0.00 N ATOM 1713 CA PRO A 111 12.141 -4.008 2.675 1.00 0.00 C ATOM 1714 C PRO A 111 12.376 -5.153 3.664 1.00 0.00 C ATOM 1715 O PRO A 111 11.428 -5.735 4.189 1.00 0.00 O ATOM 1716 CB PRO A 111 12.438 -4.473 1.239 1.00 0.00 C ATOM 1717 CG PRO A 111 13.657 -3.724 0.808 1.00 0.00 C ATOM 1718 CD PRO A 111 13.678 -2.458 1.612 1.00 0.00 C ATOM 0 HA PRO A 111 11.105 -3.711 2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.609 -5.549 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.597 -4.262 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.558 -4.312 0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 111 13.623 -3.506 -0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.693 -2.091 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.119 -1.659 1.125 1.00 0.00 H new ATOM 1726 N GLU A 112 13.641 -5.456 3.933 1.00 0.00 N ATOM 1727 CA GLU A 112 13.993 -6.539 4.847 1.00 0.00 C ATOM 1728 C GLU A 112 13.506 -6.234 6.265 1.00 0.00 C ATOM 1729 O GLU A 112 13.055 -7.126 6.983 1.00 0.00 O ATOM 1730 CB GLU A 112 15.512 -6.757 4.845 1.00 0.00 C ATOM 1731 CG GLU A 112 16.307 -5.502 5.180 1.00 0.00 C ATOM 1732 CD GLU A 112 17.806 -5.716 5.126 1.00 0.00 C ATOM 1733 OE1 GLU A 112 18.376 -5.678 4.016 1.00 0.00 O ATOM 1734 OE2 GLU A 112 18.424 -5.902 6.197 1.00 0.00 O ATOM 0 H GLU A 112 14.441 -4.967 3.531 1.00 0.00 H new ATOM 0 HA GLU A 112 13.502 -7.450 4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.760 -7.537 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.818 -7.120 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.034 -4.709 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.031 -5.159 6.177 1.00 0.00 H new ATOM 1741 N GLU A 113 13.597 -4.968 6.655 1.00 0.00 N ATOM 1742 CA GLU A 113 13.150 -4.530 7.970 1.00 0.00 C ATOM 1743 C GLU A 113 11.634 -4.529 8.050 1.00 0.00 C ATOM 1744 O GLU A 113 11.058 -4.968 9.041 1.00 0.00 O ATOM 1745 CB GLU A 113 13.672 -3.123 8.266 1.00 0.00 C ATOM 1746 CG GLU A 113 15.184 -3.013 8.257 1.00 0.00 C ATOM 1747 CD GLU A 113 15.837 -3.722 9.422 1.00 0.00 C ATOM 1748 OE1 GLU A 113 15.986 -3.099 10.493 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.227 -4.898 9.269 1.00 0.00 O ATOM 0 H GLU A 113 13.980 -4.222 6.074 1.00 0.00 H new ATOM 0 HA GLU A 113 13.544 -5.227 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.263 -2.432 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.300 -2.806 9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.567 -3.429 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.466 -1.960 8.276 1.00 0.00 H new ATOM 1756 N ALA A 114 11.000 -4.064 6.979 1.00 0.00 N ATOM 1757 CA ALA A 114 9.553 -3.862 6.953 1.00 0.00 C ATOM 1758 C ALA A 114 8.798 -5.151 7.246 1.00 0.00 C ATOM 1759 O ALA A 114 7.782 -5.138 7.936 1.00 0.00 O ATOM 1760 CB ALA A 114 9.127 -3.290 5.606 1.00 0.00 C ATOM 0 H ALA A 114 11.470 -3.817 6.108 1.00 0.00 H new ATOM 0 HA ALA A 114 9.302 -3.150 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 114 8.047 -3.144 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.624 -2.334 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.405 -3.983 4.812 1.00 0.00 H new ATOM 1766 N LEU A 115 9.306 -6.266 6.743 1.00 0.00 N ATOM 1767 CA LEU A 115 8.635 -7.547 6.908 1.00 0.00 C ATOM 1768 C LEU A 115 8.817 -8.095 8.324 1.00 0.00 C ATOM 1769 O LEU A 115 8.176 -9.072 8.706 1.00 0.00 O ATOM 1770 CB LEU A 115 9.165 -8.537 5.867 1.00 0.00 C ATOM 1771 CG LEU A 115 8.107 -9.382 5.142 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.714 -10.591 5.970 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.868 -8.550 4.824 1.00 0.00 C ATOM 0 H LEU A 115 10.179 -6.310 6.218 1.00 0.00 H new ATOM 0 HA LEU A 115 7.565 -7.403 6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.731 -7.980 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.865 -9.212 6.360 1.00 0.00 H new ATOM 0 HG LEU A 115 8.548 -9.727 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.964 -11.171 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.593 -11.211 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.303 -10.261 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.134 -9.172 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.437 -8.170 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.146 -7.713 4.183 1.00 0.00 H new ATOM 1785 N GLN A 116 9.691 -7.467 9.103 1.00 0.00 N ATOM 1786 CA GLN A 116 9.863 -7.837 10.500 1.00 0.00 C ATOM 1787 C GLN A 116 9.025 -6.934 11.396 1.00 0.00 C ATOM 1788 O GLN A 116 9.052 -7.051 12.624 1.00 0.00 O ATOM 1789 CB GLN A 116 11.333 -7.771 10.902 1.00 0.00 C ATOM 1790 CG GLN A 116 12.185 -8.845 10.246 1.00 0.00 C ATOM 1791 CD GLN A 116 11.754 -10.261 10.600 1.00 0.00 C ATOM 1792 OE1 GLN A 116 11.245 -10.454 11.807 1.00 0.00 O flip ATOM 1793 NE2 GLN A 116 11.897 -11.182 9.796 1.00 0.00 N flip ATOM 0 H GLN A 116 10.289 -6.702 8.791 1.00 0.00 H new ATOM 0 HA GLN A 116 9.522 -8.865 10.625 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.731 -6.791 10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.411 -7.867 11.985 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.143 -8.721 9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 116 13.224 -8.705 10.543 1.00 0.00 H new ATOM 0 HE21 GLN A 116 12.293 -10.997 8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 116 11.620 -12.130 10.052 1.00 0.00 H new ATOM 1802 N TYR A 117 8.291 -6.025 10.771 1.00 0.00 N ATOM 1803 CA TYR A 117 7.332 -5.193 11.482 1.00 0.00 C ATOM 1804 C TYR A 117 5.970 -5.869 11.463 1.00 0.00 C ATOM 1805 O TYR A 117 5.711 -6.719 10.611 1.00 0.00 O ATOM 1806 CB TYR A 117 7.218 -3.803 10.840 1.00 0.00 C ATOM 1807 CG TYR A 117 8.331 -2.848 11.201 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.616 -3.030 10.713 1.00 0.00 C ATOM 1809 CD2 TYR A 117 8.091 -1.754 12.021 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.634 -2.151 11.027 1.00 0.00 C ATOM 1811 CE2 TYR A 117 9.102 -0.869 12.343 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.372 -1.073 11.843 1.00 0.00 C ATOM 1813 OH TYR A 117 11.382 -0.192 12.157 1.00 0.00 O ATOM 0 H TYR A 117 8.342 -5.845 9.768 1.00 0.00 H new ATOM 0 HA TYR A 117 7.679 -5.069 12.508 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.194 -3.919 9.756 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.267 -3.359 11.134 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.825 -3.876 10.075 1.00 0.00 H new ATOM 0 HD2 TYR A 117 7.098 -1.592 12.414 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.628 -2.308 10.635 1.00 0.00 H new ATOM 0 HE2 TYR A 117 8.900 -0.022 12.982 1.00 0.00 H new ATOM 0 HH TYR A 117 11.032 0.513 12.741 1.00 0.00 H new ATOM 1823 N PRO A 118 5.084 -5.517 12.405 1.00 0.00 N ATOM 1824 CA PRO A 118 3.721 -6.046 12.431 1.00 0.00 C ATOM 1825 C PRO A 118 2.875 -5.521 11.272 1.00 0.00 C ATOM 1826 O PRO A 118 2.035 -4.638 11.450 1.00 0.00 O ATOM 1827 CB PRO A 118 3.165 -5.552 13.766 1.00 0.00 C ATOM 1828 CG PRO A 118 3.974 -4.349 14.093 1.00 0.00 C ATOM 1829 CD PRO A 118 5.344 -4.599 13.526 1.00 0.00 C ATOM 0 HA PRO A 118 3.706 -7.131 12.328 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.106 -5.307 13.687 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.259 -6.314 14.540 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.531 -3.452 13.660 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.021 -4.193 15.171 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.815 -3.675 13.189 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.010 -5.045 14.265 1.00 0.00 H new ATOM 1837 N LEU A 119 3.123 -6.053 10.086 1.00 0.00 N ATOM 1838 CA LEU A 119 2.349 -5.696 8.907 1.00 0.00 C ATOM 1839 C LEU A 119 1.041 -6.474 8.885 1.00 0.00 C ATOM 1840 O LEU A 119 0.952 -7.570 9.445 1.00 0.00 O ATOM 1841 CB LEU A 119 3.147 -5.979 7.624 1.00 0.00 C ATOM 1842 CG LEU A 119 4.356 -5.069 7.384 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.045 -5.432 6.081 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.928 -3.613 7.355 1.00 0.00 C ATOM 0 H LEU A 119 3.859 -6.738 9.913 1.00 0.00 H new ATOM 0 HA LEU A 119 2.131 -4.629 8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.492 -7.012 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.474 -5.891 6.771 1.00 0.00 H new ATOM 0 HG LEU A 119 5.059 -5.213 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.901 -4.775 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.385 -6.467 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.345 -5.315 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.799 -2.981 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.206 -3.462 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.470 -3.349 8.308 1.00 0.00 H new ATOM 1856 N ALA A 120 0.027 -5.902 8.254 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.260 -6.566 8.123 1.00 0.00 C ATOM 1858 C ALA A 120 -1.155 -7.756 7.165 1.00 0.00 C ATOM 1859 O ALA A 120 -0.239 -7.813 6.343 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.314 -5.575 7.645 1.00 0.00 C ATOM 0 H ALA A 120 0.071 -4.978 7.824 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.561 -6.945 9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.274 -6.082 7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.403 -4.762 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.020 -5.170 6.676 1.00 0.00 H new ATOM 1866 N PRO A 121 -2.093 -8.722 7.253 1.00 0.00 N ATOM 1867 CA PRO A 121 -2.085 -9.933 6.413 1.00 0.00 C ATOM 1868 C PRO A 121 -2.098 -9.629 4.914 1.00 0.00 C ATOM 1869 O PRO A 121 -1.821 -10.499 4.090 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.373 -10.666 6.810 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.200 -9.653 7.526 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.225 -8.729 8.191 1.00 0.00 C ATOM 0 HA PRO A 121 -1.175 -10.511 6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.894 -11.049 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.157 -11.521 7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.842 -9.111 6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.852 -10.128 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.642 -7.732 8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.932 -9.091 9.176 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.428 -8.397 4.559 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.454 -7.995 3.165 1.00 0.00 C ATOM 1882 C ALA A 122 -1.121 -7.385 2.753 1.00 0.00 C ATOM 1883 O ALA A 122 -0.711 -7.488 1.598 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.582 -7.010 2.924 1.00 0.00 C ATOM 0 H ALA A 122 -2.681 -7.660 5.218 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.626 -8.882 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.591 -6.716 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.534 -7.477 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.434 -6.128 3.546 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.442 -6.789 3.723 1.00 0.00 N ATOM 1891 CA ASP A 123 0.792 -6.043 3.485 1.00 0.00 C ATOM 1892 C ASP A 123 1.989 -6.970 3.405 1.00 0.00 C ATOM 1893 O ASP A 123 2.969 -6.679 2.716 1.00 0.00 O ATOM 1894 CB ASP A 123 1.020 -5.037 4.613 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.072 -3.987 4.684 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.225 -4.353 5.001 1.00 0.00 O ATOM 1897 OD2 ASP A 123 0.223 -2.801 4.436 1.00 0.00 O ATOM 0 H ASP A 123 -0.730 -6.808 4.701 1.00 0.00 H new ATOM 0 HA ASP A 123 0.686 -5.523 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.072 -5.568 5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.983 -4.546 4.469 1.00 0.00 H new ATOM 1902 N ILE A 124 1.892 -8.098 4.096 1.00 0.00 N ATOM 1903 CA ILE A 124 2.996 -9.044 4.169 1.00 0.00 C ATOM 1904 C ILE A 124 3.370 -9.560 2.774 1.00 0.00 C ATOM 1905 O ILE A 124 4.504 -9.372 2.336 1.00 0.00 O ATOM 1906 CB ILE A 124 2.668 -10.227 5.113 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.402 -9.716 6.531 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.802 -11.244 5.115 1.00 0.00 C ATOM 1909 CD1 ILE A 124 1.973 -10.796 7.500 1.00 0.00 C ATOM 0 H ILE A 124 1.060 -8.380 4.614 1.00 0.00 H new ATOM 0 HA ILE A 124 3.853 -8.512 4.582 1.00 0.00 H new ATOM 0 HB ILE A 124 1.768 -10.722 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.306 -9.239 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.629 -8.949 6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.552 -12.067 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.947 -11.629 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.720 -10.765 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.803 -10.356 8.483 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.052 -11.258 7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.754 -11.553 7.571 1.00 0.00 H new ATOM 1921 N PRO A 125 2.425 -10.187 2.035 1.00 0.00 N ATOM 1922 CA PRO A 125 2.689 -10.698 0.680 1.00 0.00 C ATOM 1923 C PRO A 125 3.101 -9.597 -0.299 1.00 0.00 C ATOM 1924 O PRO A 125 3.830 -9.855 -1.258 1.00 0.00 O ATOM 1925 CB PRO A 125 1.353 -11.317 0.250 1.00 0.00 C ATOM 1926 CG PRO A 125 0.341 -10.706 1.154 1.00 0.00 C ATOM 1927 CD PRO A 125 1.042 -10.470 2.454 1.00 0.00 C ATOM 0 HA PRO A 125 3.520 -11.404 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 125 1.134 -11.097 -0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.369 -12.402 0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.039 -9.772 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.515 -11.368 1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.607 -9.634 3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.988 -11.342 3.106 1.00 0.00 H new ATOM 1935 N LEU A 126 2.643 -8.371 -0.051 1.00 0.00 N ATOM 1936 CA LEU A 126 2.977 -7.246 -0.917 1.00 0.00 C ATOM 1937 C LEU A 126 4.441 -6.878 -0.744 1.00 0.00 C ATOM 1938 O LEU A 126 5.161 -6.652 -1.717 1.00 0.00 O ATOM 1939 CB LEU A 126 2.098 -6.028 -0.599 1.00 0.00 C ATOM 1940 CG LEU A 126 0.607 -6.194 -0.891 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.154 -4.937 -0.498 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.387 -6.512 -2.361 1.00 0.00 C ATOM 0 H LEU A 126 2.043 -8.134 0.739 1.00 0.00 H new ATOM 0 HA LEU A 126 2.794 -7.544 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.218 -5.782 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.469 -5.176 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 126 0.228 -7.026 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.214 -5.072 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.020 -4.749 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.226 -4.089 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.680 -6.627 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.780 -5.699 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.903 -7.438 -2.614 1.00 0.00 H new ATOM 1954 N LEU A 127 4.880 -6.843 0.504 1.00 0.00 N ATOM 1955 CA LEU A 127 6.255 -6.512 0.811 1.00 0.00 C ATOM 1956 C LEU A 127 7.163 -7.680 0.443 1.00 0.00 C ATOM 1957 O LEU A 127 8.279 -7.477 -0.037 1.00 0.00 O ATOM 1958 CB LEU A 127 6.394 -6.143 2.291 1.00 0.00 C ATOM 1959 CG LEU A 127 7.701 -5.442 2.690 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.869 -6.409 2.731 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.997 -4.303 1.732 1.00 0.00 C ATOM 0 H LEU A 127 4.300 -7.041 1.319 1.00 0.00 H new ATOM 0 HA LEU A 127 6.558 -5.646 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.560 -5.496 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.298 -7.053 2.883 1.00 0.00 H new ATOM 0 HG LEU A 127 7.568 -5.043 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.774 -5.874 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.666 -7.194 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 127 9.007 -6.855 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.926 -3.813 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.097 -4.695 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.181 -3.581 1.762 1.00 0.00 H new ATOM 1973 N GLU A 128 6.676 -8.900 0.648 1.00 0.00 N ATOM 1974 CA GLU A 128 7.420 -10.094 0.272 1.00 0.00 C ATOM 1975 C GLU A 128 7.803 -10.052 -1.202 1.00 0.00 C ATOM 1976 O GLU A 128 8.924 -10.400 -1.572 1.00 0.00 O ATOM 1977 CB GLU A 128 6.593 -11.351 0.562 1.00 0.00 C ATOM 1978 CG GLU A 128 6.510 -11.704 2.040 1.00 0.00 C ATOM 1979 CD GLU A 128 7.770 -12.370 2.558 1.00 0.00 C ATOM 1980 OE1 GLU A 128 8.832 -12.247 1.913 1.00 0.00 O ATOM 1981 OE2 GLU A 128 7.694 -13.054 3.603 1.00 0.00 O ATOM 0 H GLU A 128 5.768 -9.086 1.073 1.00 0.00 H new ATOM 0 HA GLU A 128 8.333 -10.125 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.584 -11.208 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.026 -12.192 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.321 -10.797 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.661 -12.368 2.203 1.00 0.00 H new ATOM 1988 N ALA A 129 6.881 -9.615 -2.048 1.00 0.00 N ATOM 1989 CA ALA A 129 7.177 -9.497 -3.465 1.00 0.00 C ATOM 1990 C ALA A 129 8.000 -8.257 -3.759 1.00 0.00 C ATOM 1991 O ALA A 129 8.751 -8.228 -4.730 1.00 0.00 O ATOM 1992 CB ALA A 129 5.916 -9.493 -4.301 1.00 0.00 C ATOM 0 H ALA A 129 5.935 -9.340 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 129 7.764 -10.374 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.179 -9.403 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.370 -10.423 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.289 -8.650 -4.010 1.00 0.00 H new ATOM 1998 N PHE A 130 7.886 -7.230 -2.924 1.00 0.00 N ATOM 1999 CA PHE A 130 8.666 -6.022 -3.123 1.00 0.00 C ATOM 2000 C PHE A 130 10.134 -6.329 -2.884 1.00 0.00 C ATOM 2001 O PHE A 130 11.003 -5.915 -3.655 1.00 0.00 O ATOM 2002 CB PHE A 130 8.202 -4.908 -2.185 1.00 0.00 C ATOM 2003 CG PHE A 130 8.818 -3.572 -2.494 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.249 -2.745 -3.445 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.959 -3.143 -1.834 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.803 -1.516 -3.737 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.519 -1.912 -2.122 1.00 0.00 C ATOM 2008 CZ PHE A 130 9.940 -1.097 -3.074 1.00 0.00 C ATOM 0 H PHE A 130 7.268 -7.212 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 130 8.524 -5.677 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 130 7.117 -4.822 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.445 -5.183 -1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.359 -3.066 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 130 10.415 -3.776 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.348 -0.882 -4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.409 -1.588 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.375 -0.135 -3.300 1.00 0.00 H new ATOM 2018 N MET A 131 10.409 -7.065 -1.810 1.00 0.00 N ATOM 2019 CA MET A 131 11.767 -7.498 -1.534 1.00 0.00 C ATOM 2020 C MET A 131 12.212 -8.495 -2.603 1.00 0.00 C ATOM 2021 O MET A 131 13.356 -8.457 -3.047 1.00 0.00 O ATOM 2022 CB MET A 131 11.903 -8.102 -0.123 1.00 0.00 C ATOM 2023 CG MET A 131 11.313 -9.496 0.023 1.00 0.00 C ATOM 2024 SD MET A 131 11.767 -10.301 1.574 1.00 0.00 S ATOM 2025 CE MET A 131 11.066 -9.171 2.771 1.00 0.00 C ATOM 0 H MET A 131 9.715 -7.369 -1.127 1.00 0.00 H new ATOM 0 HA MET A 131 12.418 -6.624 -1.564 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.959 -8.138 0.143 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.417 -7.438 0.592 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.227 -9.432 -0.042 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.646 -10.114 -0.811 1.00 0.00 H new ATOM 0 HE1 MET A 131 11.125 -9.612 3.766 1.00 0.00 H new ATOM 0 HE2 MET A 131 11.623 -8.234 2.756 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.023 -8.977 2.521 1.00 0.00 H new ATOM 2035 N ALA A 132 11.294 -9.367 -3.038 1.00 0.00 N ATOM 2036 CA ALA A 132 11.557 -10.297 -4.132 1.00 0.00 C ATOM 2037 C ALA A 132 12.019 -9.559 -5.382 1.00 0.00 C ATOM 2038 O ALA A 132 12.978 -9.962 -6.042 1.00 0.00 O ATOM 2039 CB ALA A 132 10.295 -11.099 -4.439 1.00 0.00 C ATOM 0 H ALA A 132 10.357 -9.444 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 132 12.355 -10.973 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.494 -11.792 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.995 -11.659 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.493 -10.419 -4.727 1.00 0.00 H new ATOM 2045 N LEU A 133 11.345 -8.460 -5.683 1.00 0.00 N ATOM 2046 CA LEU A 133 11.632 -7.680 -6.877 1.00 0.00 C ATOM 2047 C LEU A 133 13.034 -7.085 -6.836 1.00 0.00 C ATOM 2048 O LEU A 133 13.684 -6.943 -7.869 1.00 0.00 O ATOM 2049 CB LEU A 133 10.601 -6.562 -7.037 1.00 0.00 C ATOM 2050 CG LEU A 133 9.584 -6.762 -8.164 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.767 -8.026 -7.945 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.676 -5.547 -8.269 1.00 0.00 C ATOM 0 H LEU A 133 10.588 -8.085 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 133 11.576 -8.354 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.060 -6.453 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.130 -5.625 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 133 10.128 -6.876 -9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 133 8.053 -8.143 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.432 -8.889 -7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 133 8.230 -7.953 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.956 -5.699 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 133 8.144 -5.408 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 133 9.276 -4.662 -8.481 1.00 0.00 H new ATOM 2064 N ARG A 134 13.498 -6.735 -5.649 1.00 0.00 N ATOM 2065 CA ARG A 134 14.792 -6.086 -5.515 1.00 0.00 C ATOM 2066 C ARG A 134 15.915 -7.090 -5.257 1.00 0.00 C ATOM 2067 O ARG A 134 17.085 -6.793 -5.504 1.00 0.00 O ATOM 2068 CB ARG A 134 14.740 -5.048 -4.394 1.00 0.00 C ATOM 2069 CG ARG A 134 13.648 -4.012 -4.594 1.00 0.00 C ATOM 2070 CD ARG A 134 13.638 -2.975 -3.482 1.00 0.00 C ATOM 2071 NE ARG A 134 14.805 -2.093 -3.530 1.00 0.00 N ATOM 2072 CZ ARG A 134 14.731 -0.768 -3.650 1.00 0.00 C ATOM 2073 NH1 ARG A 134 13.551 -0.183 -3.811 1.00 0.00 N ATOM 2074 NH2 ARG A 134 15.834 -0.033 -3.616 1.00 0.00 N ATOM 0 H ARG A 134 13.003 -6.887 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 134 15.013 -5.591 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.581 -5.556 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.704 -4.544 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.791 -3.514 -5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.679 -4.509 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 134 12.730 -2.376 -3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.608 -3.481 -2.517 1.00 0.00 H new ATOM 0 HE ARG A 134 15.730 -2.518 -3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 134 12.702 -0.747 -3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 134 13.493 0.831 -3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 134 16.742 -0.482 -3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 134 15.774 0.981 -3.708 1.00 0.00 H new ATOM 2088 N ALA A 135 15.572 -8.277 -4.775 1.00 0.00 N ATOM 2089 CA ALA A 135 16.585 -9.277 -4.460 1.00 0.00 C ATOM 2090 C ALA A 135 16.783 -10.252 -5.617 1.00 0.00 C ATOM 2091 O ALA A 135 17.911 -10.623 -5.943 1.00 0.00 O ATOM 2092 CB ALA A 135 16.211 -10.026 -3.192 1.00 0.00 C ATOM 0 H ALA A 135 14.612 -8.570 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 135 17.529 -8.758 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.976 -10.769 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 135 16.136 -9.323 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.252 -10.524 -3.333 1.00 0.00 H new ATOM 2098 N ALA A 136 15.688 -10.649 -6.248 1.00 0.00 N ATOM 2099 CA ALA A 136 15.756 -11.557 -7.381 1.00 0.00 C ATOM 2100 C ALA A 136 15.805 -10.773 -8.683 1.00 0.00 C ATOM 2101 O ALA A 136 16.521 -11.146 -9.610 1.00 0.00 O ATOM 2102 CB ALA A 136 14.571 -12.515 -7.376 1.00 0.00 C ATOM 0 H ALA A 136 14.744 -10.357 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 136 16.669 -12.147 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.642 -13.186 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.579 -13.099 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.643 -11.946 -7.436 1.00 0.00 H new