USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 949 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 88 MET CE :methyl -176:sc= -1.55 (180deg=-1.56) USER MOD Set 1.2: A 130 CYS SG : rot -92:sc= 0.651 USER MOD Set 1.3: A 174 ASN : amide:sc= -0.721! C(o=-1.6!,f=-5.6!) USER MOD Set 2.1: A 127 GLN : amide:sc= 0.073 X(o=0.073,f=0) USER MOD Set 2.2: A 167 MET CE :methyl -124:sc= 0 (180deg=-0.121) USER MOD Single : A 16 GLN : amide:sc= -0.0555 X(o=-0.055,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -0.326 (180deg=-1.14!) USER MOD Single : A 21 GLN : amide:sc= 0.108 K(o=0.11,f=-0.42) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 25 MET CE :methyl -151:sc= -0.141 (180deg=-1.51) USER MOD Single : A 34 MET CE :methyl 147:sc= -7.59! (180deg=-12.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.727 K(o=-0.73,f=-4.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.31 K(o=-0.31,f=-2!) USER MOD Single : A 45 MET CE :methyl 164:sc= -2.9! (180deg=-3.12!) USER MOD Single : A 46 THR OG1 : rot -18:sc= 0.265 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.9!) USER MOD Single : A 58 MET CE :methyl -133:sc= -1.46 (180deg=-2.24) USER MOD Single : A 59 ASN : amide:sc= -7.49! C(o=-7.5!,f=-5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -7.03! K(o=-7!,f=-2) USER MOD Single : A 80 CYS SG : rot 171:sc= -1.18 USER MOD Single : A 86 SER OG : rot -37:sc= 0.72 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -2.89! K(o=-2.9!,f=-2.3) USER MOD Single : A 96 THR OG1 : rot -70:sc= 1.21 USER MOD Single : A 101 MET CE :methyl 152:sc= -0.358 (180deg=-1.07) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 180:sc= -0.266 USER MOD Single : A 111 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.9) USER MOD Single : A 115 CYS SG : rot -160:sc= -1.68 USER MOD Single : A 118 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.038) USER MOD Single : A 121 ASN : amide:sc= -0.0451 K(o=-0.045,f=-0.95) USER MOD Single : A 123 SER OG : rot 108:sc= 0.0506 USER MOD Single : A 163 HIS : no HE2:sc= -1.14 X(o=-1.1,f=-0.92) USER MOD Single : A 165 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= -2.04 K(o=-2,f=-6.8!) USER MOD Single : A 169 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1) USER MOD Single : A 170 ASN : amide:sc= -0.255 X(o=-0.25,f=0.05) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.281 0.292 13.965 1.00 0.00 N ATOM 179 CA VAL A 15 6.748 0.730 12.680 1.00 0.00 C ATOM 180 C VAL A 15 7.868 0.993 11.681 1.00 0.00 C ATOM 181 O VAL A 15 8.860 1.647 12.003 1.00 0.00 O ATOM 182 CB VAL A 15 5.898 2.006 12.831 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.744 3.150 13.370 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.262 2.382 11.501 1.00 0.00 C ATOM 0 HA VAL A 15 6.116 -0.076 12.308 1.00 0.00 H new ATOM 0 HB VAL A 15 5.100 1.808 13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.127 4.043 13.470 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.147 2.876 14.345 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.565 3.351 12.682 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.665 3.285 11.626 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.043 2.562 10.762 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.622 1.568 11.161 1.00 0.00 H new ATOM 194 N GLN A 16 7.702 0.480 10.466 1.00 0.00 N ATOM 195 CA GLN A 16 8.701 0.660 9.418 1.00 0.00 C ATOM 196 C GLN A 16 8.332 1.828 8.510 1.00 0.00 C ATOM 197 O GLN A 16 7.154 2.127 8.311 1.00 0.00 O ATOM 198 CB GLN A 16 8.840 -0.620 8.592 1.00 0.00 C ATOM 199 CG GLN A 16 9.258 -1.830 9.411 1.00 0.00 C ATOM 200 CD GLN A 16 8.900 -3.141 8.739 1.00 0.00 C ATOM 201 OE1 GLN A 16 9.775 -3.945 8.415 1.00 0.00 O ATOM 202 NE2 GLN A 16 7.609 -3.364 8.526 1.00 0.00 N ATOM 0 H GLN A 16 6.886 -0.063 10.183 1.00 0.00 H new ATOM 0 HA GLN A 16 9.656 0.882 9.895 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.889 -0.833 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.573 -0.455 7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.334 -1.795 9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.779 -1.785 10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.918 -2.670 8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.308 -4.229 8.078 1.00 0.00 H new ATOM 211 N LYS A 17 9.347 2.487 7.961 1.00 0.00 N ATOM 212 CA LYS A 17 9.131 3.623 7.072 1.00 0.00 C ATOM 213 C LYS A 17 9.770 3.377 5.709 1.00 0.00 C ATOM 214 O LYS A 17 10.811 2.727 5.609 1.00 0.00 O ATOM 215 CB LYS A 17 9.704 4.899 7.693 1.00 0.00 C ATOM 216 CG LYS A 17 11.217 4.886 7.822 1.00 0.00 C ATOM 217 CD LYS A 17 11.659 4.284 9.145 1.00 0.00 C ATOM 218 CE LYS A 17 13.103 3.808 9.086 1.00 0.00 C ATOM 219 NZ LYS A 17 13.330 2.865 7.956 1.00 0.00 N ATOM 0 H LYS A 17 10.328 2.254 8.116 1.00 0.00 H new ATOM 0 HA LYS A 17 8.057 3.744 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.407 5.754 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.265 5.042 8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.648 4.315 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.599 5.904 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.551 5.025 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.009 3.447 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.765 4.668 8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.363 3.319 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.109 2.219 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.464 2.315 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.575 3.402 7.100 1.00 0.00 H new ATOM 233 N PHE A 18 9.142 3.902 4.662 1.00 0.00 N ATOM 234 CA PHE A 18 9.650 3.739 3.305 1.00 0.00 C ATOM 235 C PHE A 18 9.612 5.063 2.548 1.00 0.00 C ATOM 236 O PHE A 18 8.736 5.897 2.778 1.00 0.00 O ATOM 237 CB PHE A 18 8.832 2.686 2.555 1.00 0.00 C ATOM 238 CG PHE A 18 8.705 1.386 3.296 1.00 0.00 C ATOM 239 CD1 PHE A 18 9.784 0.523 3.398 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.506 1.026 3.889 1.00 0.00 C ATOM 241 CE1 PHE A 18 9.671 -0.675 4.079 1.00 0.00 C ATOM 242 CE2 PHE A 18 7.387 -0.170 4.572 1.00 0.00 C ATOM 243 CZ PHE A 18 8.470 -1.022 4.666 1.00 0.00 C ATOM 0 H PHE A 18 8.280 4.444 4.727 1.00 0.00 H new ATOM 0 HA PHE A 18 10.686 3.407 3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.836 3.083 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.296 2.499 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.725 0.789 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.655 1.687 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.520 -1.338 4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.447 -0.438 5.032 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.378 -1.958 5.197 1.00 0.00 H new ATOM 253 N ARG A 19 10.569 5.249 1.645 1.00 0.00 N ATOM 254 CA ARG A 19 10.647 6.472 0.855 1.00 0.00 C ATOM 255 C ARG A 19 9.803 6.356 -0.411 1.00 0.00 C ATOM 256 O ARG A 19 10.131 5.595 -1.321 1.00 0.00 O ATOM 257 CB ARG A 19 12.101 6.774 0.486 1.00 0.00 C ATOM 258 CG ARG A 19 12.251 7.903 -0.520 1.00 0.00 C ATOM 259 CD ARG A 19 12.124 9.264 0.146 1.00 0.00 C ATOM 260 NE ARG A 19 13.338 9.637 0.866 1.00 0.00 N ATOM 261 CZ ARG A 19 14.420 10.133 0.276 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.438 10.315 -1.037 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.487 10.448 1.000 1.00 0.00 N ATOM 0 H ARG A 19 11.301 4.568 1.442 1.00 0.00 H new ATOM 0 HA ARG A 19 10.255 7.291 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.651 7.030 1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.559 5.872 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.221 7.827 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.491 7.804 -1.295 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.905 10.018 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.282 9.252 0.838 1.00 0.00 H new ATOM 0 HE ARG A 19 13.356 9.510 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.620 10.074 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.270 10.696 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.477 10.309 2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.317 10.829 0.546 1.00 0.00 H new ATOM 277 N VAL A 20 8.714 7.116 -0.461 1.00 0.00 N ATOM 278 CA VAL A 20 7.823 7.100 -1.615 1.00 0.00 C ATOM 279 C VAL A 20 7.278 8.493 -1.909 1.00 0.00 C ATOM 280 O VAL A 20 7.609 9.457 -1.220 1.00 0.00 O ATOM 281 CB VAL A 20 6.643 6.134 -1.399 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.146 4.715 -1.183 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.789 6.590 -0.226 1.00 0.00 C ATOM 0 H VAL A 20 8.427 7.751 0.284 1.00 0.00 H new ATOM 0 HA VAL A 20 8.413 6.758 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 20 6.022 6.141 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.298 4.047 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.711 4.392 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.790 4.687 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.960 5.896 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.397 6.614 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.398 7.587 -0.427 1.00 0.00 H new ATOM 293 N GLN A 21 6.440 8.590 -2.936 1.00 0.00 N ATOM 294 CA GLN A 21 5.849 9.866 -3.321 1.00 0.00 C ATOM 295 C GLN A 21 4.328 9.812 -3.228 1.00 0.00 C ATOM 296 O GLN A 21 3.733 8.734 -3.246 1.00 0.00 O ATOM 297 CB GLN A 21 6.272 10.240 -4.743 1.00 0.00 C ATOM 298 CG GLN A 21 7.713 10.714 -4.845 1.00 0.00 C ATOM 299 CD GLN A 21 8.162 10.912 -6.279 1.00 0.00 C ATOM 300 OE1 GLN A 21 8.825 10.050 -6.859 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.804 12.050 -6.861 1.00 0.00 N ATOM 0 H GLN A 21 6.155 7.801 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 21 6.210 10.628 -2.630 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.136 9.375 -5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.613 11.025 -5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.822 11.652 -4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.366 9.987 -4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.255 12.737 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.078 12.238 -7.825 1.00 0.00 H new ATOM 310 N TYR A 22 3.705 10.981 -3.128 1.00 0.00 N ATOM 311 CA TYR A 22 2.252 11.066 -3.029 1.00 0.00 C ATOM 312 C TYR A 22 1.645 11.557 -4.340 1.00 0.00 C ATOM 313 O TYR A 22 1.755 12.734 -4.686 1.00 0.00 O ATOM 314 CB TYR A 22 1.852 12.001 -1.886 1.00 0.00 C ATOM 315 CG TYR A 22 0.359 12.077 -1.661 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.438 10.944 -1.769 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.254 13.281 -1.338 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.803 11.009 -1.564 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.618 13.355 -1.130 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.388 12.217 -1.245 1.00 0.00 C ATOM 321 OH TYR A 22 -3.747 12.285 -1.039 1.00 0.00 O ATOM 0 H TYR A 22 4.183 11.882 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 22 1.867 10.067 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.333 11.665 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.231 13.001 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.017 9.997 -2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.346 14.175 -1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.408 10.119 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.078 14.299 -0.879 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.999 13.207 -0.822 1.00 0.00 H new ATOM 331 N LEU A 23 1.003 10.648 -5.064 1.00 0.00 N ATOM 332 CA LEU A 23 0.376 10.986 -6.337 1.00 0.00 C ATOM 333 C LEU A 23 -0.930 11.742 -6.117 1.00 0.00 C ATOM 334 O LEU A 23 -1.275 12.643 -6.880 1.00 0.00 O ATOM 335 CB LEU A 23 0.115 9.719 -7.153 1.00 0.00 C ATOM 336 CG LEU A 23 1.348 9.032 -7.740 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.906 8.010 -6.763 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.009 8.373 -9.069 1.00 0.00 C ATOM 0 H LEU A 23 0.903 9.670 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 23 1.059 11.631 -6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.407 9.003 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.560 9.971 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 23 2.112 9.789 -7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.783 7.531 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.188 8.509 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.148 7.256 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.898 7.889 -9.472 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.228 7.628 -8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.658 9.129 -9.771 1.00 0.00 H new ATOM 350 N GLY A 24 -1.654 11.368 -5.065 1.00 0.00 N ATOM 351 CA GLY A 24 -2.913 12.022 -4.762 1.00 0.00 C ATOM 352 C GLY A 24 -3.961 11.053 -4.251 1.00 0.00 C ATOM 353 O GLY A 24 -3.661 9.891 -3.978 1.00 0.00 O ATOM 0 H GLY A 24 -1.391 10.624 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.745 12.798 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.287 12.517 -5.658 1.00 0.00 H new ATOM 357 N MET A 25 -5.194 11.531 -4.121 1.00 0.00 N ATOM 358 CA MET A 25 -6.290 10.698 -3.639 1.00 0.00 C ATOM 359 C MET A 25 -7.402 10.607 -4.680 1.00 0.00 C ATOM 360 O MET A 25 -7.740 11.597 -5.330 1.00 0.00 O ATOM 361 CB MET A 25 -6.846 11.258 -2.329 1.00 0.00 C ATOM 362 CG MET A 25 -7.660 10.249 -1.534 1.00 0.00 C ATOM 363 SD MET A 25 -9.289 9.953 -2.249 1.00 0.00 S ATOM 364 CE MET A 25 -10.180 11.395 -1.671 1.00 0.00 C ATOM 0 H MET A 25 -5.459 12.491 -4.343 1.00 0.00 H new ATOM 0 HA MET A 25 -5.901 9.696 -3.461 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.018 11.611 -1.714 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.471 12.124 -2.549 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.114 9.307 -1.482 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.776 10.607 -0.511 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.237 11.150 -1.562 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.779 11.709 -0.707 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.068 12.205 -2.392 1.00 0.00 H new ATOM 374 N LEU A 26 -7.967 9.415 -4.833 1.00 0.00 N ATOM 375 CA LEU A 26 -9.041 9.195 -5.795 1.00 0.00 C ATOM 376 C LEU A 26 -10.048 8.179 -5.264 1.00 0.00 C ATOM 377 O LEU A 26 -9.722 7.019 -5.011 1.00 0.00 O ATOM 378 CB LEU A 26 -8.467 8.712 -7.128 1.00 0.00 C ATOM 379 CG LEU A 26 -9.266 9.086 -8.377 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.652 8.462 -8.332 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.364 10.599 -8.514 1.00 0.00 C ATOM 0 H LEU A 26 -7.699 8.586 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.556 10.143 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.458 9.112 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.377 7.626 -7.090 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.743 8.695 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.205 8.740 -9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.561 7.377 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.185 8.822 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.936 10.847 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.863 11.012 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.363 11.023 -8.594 1.00 0.00 H new ATOM 393 N PRO A 27 -11.302 8.623 -5.093 1.00 0.00 N ATOM 394 CA PRO A 27 -12.383 7.768 -4.593 1.00 0.00 C ATOM 395 C PRO A 27 -12.794 6.703 -5.604 1.00 0.00 C ATOM 396 O PRO A 27 -12.760 6.934 -6.813 1.00 0.00 O ATOM 397 CB PRO A 27 -13.532 8.751 -4.356 1.00 0.00 C ATOM 398 CG PRO A 27 -13.259 9.885 -5.284 1.00 0.00 C ATOM 399 CD PRO A 27 -11.762 9.994 -5.374 1.00 0.00 C ATOM 0 HA PRO A 27 -12.086 7.215 -3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.497 8.290 -4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.559 9.086 -3.319 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.697 9.701 -6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.696 10.810 -4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.442 10.331 -6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.367 10.707 -4.650 1.00 0.00 H new ATOM 407 N VAL A 28 -13.182 5.535 -5.101 1.00 0.00 N ATOM 408 CA VAL A 28 -13.601 4.434 -5.961 1.00 0.00 C ATOM 409 C VAL A 28 -15.067 4.086 -5.732 1.00 0.00 C ATOM 410 O VAL A 28 -15.640 4.416 -4.694 1.00 0.00 O ATOM 411 CB VAL A 28 -12.743 3.178 -5.721 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.287 3.452 -6.063 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.881 2.705 -4.282 1.00 0.00 C ATOM 0 H VAL A 28 -13.215 5.327 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.466 4.766 -6.990 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.102 2.384 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.696 2.553 -5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.207 3.739 -7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.912 4.261 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.268 1.817 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.550 3.494 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.924 2.465 -4.076 1.00 0.00 H new ATOM 423 N ASP A 29 -15.670 3.417 -6.709 1.00 0.00 N ATOM 424 CA ASP A 29 -17.071 3.022 -6.615 1.00 0.00 C ATOM 425 C ASP A 29 -17.203 1.638 -5.989 1.00 0.00 C ATOM 426 O ASP A 29 -18.166 1.358 -5.275 1.00 0.00 O ATOM 427 CB ASP A 29 -17.720 3.035 -7.999 1.00 0.00 C ATOM 428 CG ASP A 29 -17.628 4.391 -8.670 1.00 0.00 C ATOM 429 OD1 ASP A 29 -18.420 5.286 -8.308 1.00 0.00 O ATOM 430 OD2 ASP A 29 -16.765 4.557 -9.558 1.00 0.00 O ATOM 0 H ASP A 29 -15.210 3.137 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.585 3.740 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.239 2.288 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.768 2.748 -7.908 1.00 0.00 H new ATOM 435 N ARG A 30 -16.231 0.774 -6.263 1.00 0.00 N ATOM 436 CA ARG A 30 -16.241 -0.582 -5.729 1.00 0.00 C ATOM 437 C ARG A 30 -15.040 -0.816 -4.817 1.00 0.00 C ATOM 438 O ARG A 30 -13.948 -0.294 -5.041 1.00 0.00 O ATOM 439 CB ARG A 30 -16.235 -1.602 -6.869 1.00 0.00 C ATOM 440 CG ARG A 30 -17.532 -1.637 -7.662 1.00 0.00 C ATOM 441 CD ARG A 30 -18.606 -2.433 -6.938 1.00 0.00 C ATOM 442 NE ARG A 30 -19.910 -2.304 -7.583 1.00 0.00 N ATOM 443 CZ ARG A 30 -20.896 -3.181 -7.427 1.00 0.00 C ATOM 444 NH1 ARG A 30 -20.728 -4.243 -6.652 1.00 0.00 N ATOM 445 NH2 ARG A 30 -22.055 -2.995 -8.048 1.00 0.00 N ATOM 0 H ARG A 30 -15.427 0.989 -6.852 1.00 0.00 H new ATOM 0 HA ARG A 30 -17.151 -0.708 -5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.411 -1.373 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -16.044 -2.593 -6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -17.884 -0.619 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.349 -2.078 -8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -18.319 -3.484 -6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.677 -2.091 -5.905 1.00 0.00 H new ATOM 0 HE ARG A 30 -20.073 -1.497 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -19.840 -4.389 -6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -21.487 -4.914 -6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -22.189 -2.179 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -22.812 -3.668 -7.928 1.00 0.00 H new ATOM 459 N PRO A 31 -15.246 -1.619 -3.762 1.00 0.00 N ATOM 460 CA PRO A 31 -14.192 -1.940 -2.795 1.00 0.00 C ATOM 461 C PRO A 31 -13.112 -2.836 -3.391 1.00 0.00 C ATOM 462 O PRO A 31 -11.943 -2.753 -3.012 1.00 0.00 O ATOM 463 CB PRO A 31 -14.944 -2.676 -1.683 1.00 0.00 C ATOM 464 CG PRO A 31 -16.144 -3.251 -2.353 1.00 0.00 C ATOM 465 CD PRO A 31 -16.522 -2.276 -3.433 1.00 0.00 C ATOM 0 HA PRO A 31 -13.665 -1.048 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.327 -3.457 -1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.227 -1.996 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.924 -4.232 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.961 -3.384 -1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.949 -2.782 -4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.265 -1.559 -3.085 1.00 0.00 H new ATOM 473 N VAL A 32 -13.509 -3.693 -4.326 1.00 0.00 N ATOM 474 CA VAL A 32 -12.574 -4.604 -4.976 1.00 0.00 C ATOM 475 C VAL A 32 -12.718 -4.550 -6.492 1.00 0.00 C ATOM 476 O VAL A 32 -13.794 -4.260 -7.014 1.00 0.00 O ATOM 477 CB VAL A 32 -12.784 -6.055 -4.503 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.683 -6.143 -2.987 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.125 -6.585 -4.988 1.00 0.00 C ATOM 0 H VAL A 32 -14.472 -3.776 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.571 -4.280 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.997 -6.676 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.834 -7.175 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.696 -5.807 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.446 -5.510 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.256 -7.611 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.927 -5.964 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.153 -6.561 -6.077 1.00 0.00 H new ATOM 489 N GLY A 33 -11.626 -4.832 -7.196 1.00 0.00 N ATOM 490 CA GLY A 33 -11.651 -4.810 -8.647 1.00 0.00 C ATOM 491 C GLY A 33 -10.417 -4.158 -9.238 1.00 0.00 C ATOM 492 O GLY A 33 -10.362 -2.937 -9.385 1.00 0.00 O ATOM 0 H GLY A 33 -10.724 -5.075 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.734 -5.830 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.538 -4.274 -8.984 1.00 0.00 H new ATOM 496 N MET A 34 -9.424 -4.973 -9.578 1.00 0.00 N ATOM 497 CA MET A 34 -8.185 -4.468 -10.156 1.00 0.00 C ATOM 498 C MET A 34 -8.472 -3.417 -11.224 1.00 0.00 C ATOM 499 O MET A 34 -7.752 -2.425 -11.341 1.00 0.00 O ATOM 500 CB MET A 34 -7.373 -5.616 -10.760 1.00 0.00 C ATOM 501 CG MET A 34 -6.823 -6.581 -9.723 1.00 0.00 C ATOM 502 SD MET A 34 -5.186 -6.108 -9.134 1.00 0.00 S ATOM 503 CE MET A 34 -5.565 -4.589 -8.263 1.00 0.00 C ATOM 0 H MET A 34 -9.454 -5.986 -9.463 1.00 0.00 H new ATOM 0 HA MET A 34 -7.605 -4.002 -9.359 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.002 -6.167 -11.459 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.545 -5.202 -11.334 1.00 0.00 H new ATOM 0 HG2 MET A 34 -7.509 -6.630 -8.877 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.775 -7.582 -10.153 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.895 -4.482 -7.410 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.434 -3.741 -8.936 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.597 -4.618 -7.913 1.00 0.00 H new ATOM 513 N ASP A 35 -9.528 -3.641 -11.999 1.00 0.00 N ATOM 514 CA ASP A 35 -9.910 -2.712 -13.056 1.00 0.00 C ATOM 515 C ASP A 35 -10.155 -1.316 -12.492 1.00 0.00 C ATOM 516 O ASP A 35 -9.779 -0.313 -13.099 1.00 0.00 O ATOM 517 CB ASP A 35 -11.164 -3.212 -13.775 1.00 0.00 C ATOM 518 CG ASP A 35 -12.427 -2.973 -12.970 1.00 0.00 C ATOM 519 OD1 ASP A 35 -12.689 -3.752 -12.030 1.00 0.00 O ATOM 520 OD2 ASP A 35 -13.152 -2.005 -13.280 1.00 0.00 O ATOM 0 H ASP A 35 -10.134 -4.457 -11.915 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.088 -2.656 -13.770 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.251 -2.711 -14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.062 -4.278 -13.978 1.00 0.00 H new ATOM 525 N THR A 36 -10.789 -1.258 -11.325 1.00 0.00 N ATOM 526 CA THR A 36 -11.087 0.014 -10.679 1.00 0.00 C ATOM 527 C THR A 36 -9.831 0.631 -10.076 1.00 0.00 C ATOM 528 O THR A 36 -9.562 1.820 -10.257 1.00 0.00 O ATOM 529 CB THR A 36 -12.146 -0.152 -9.572 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.388 -0.579 -10.143 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.350 1.153 -8.819 1.00 0.00 C ATOM 0 H THR A 36 -11.106 -2.078 -10.808 1.00 0.00 H new ATOM 0 HA THR A 36 -11.480 0.676 -11.451 1.00 0.00 H new ATOM 0 HB THR A 36 -11.791 -0.906 -8.870 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.055 -0.684 -9.433 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.102 1.011 -8.043 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.409 1.460 -8.362 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.685 1.925 -9.512 1.00 0.00 H new ATOM 539 N LEU A 37 -9.063 -0.182 -9.359 1.00 0.00 N ATOM 540 CA LEU A 37 -7.833 0.284 -8.729 1.00 0.00 C ATOM 541 C LEU A 37 -7.034 1.167 -9.682 1.00 0.00 C ATOM 542 O LEU A 37 -6.834 2.353 -9.424 1.00 0.00 O ATOM 543 CB LEU A 37 -6.981 -0.906 -8.283 1.00 0.00 C ATOM 544 CG LEU A 37 -5.838 -0.589 -7.319 1.00 0.00 C ATOM 545 CD1 LEU A 37 -6.307 -0.707 -5.877 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.655 -1.512 -7.574 1.00 0.00 C ATOM 0 H LEU A 37 -9.271 -1.168 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.104 0.876 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.635 -1.639 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.561 -1.379 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.517 0.438 -7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.480 -0.478 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.122 -0.005 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.656 -1.723 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.850 -1.272 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.963 -2.547 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.303 -1.378 -8.597 1.00 0.00 H new ATOM 558 N ASN A 38 -6.582 0.580 -10.785 1.00 0.00 N ATOM 559 CA ASN A 38 -5.806 1.314 -11.778 1.00 0.00 C ATOM 560 C ASN A 38 -6.589 2.513 -12.303 1.00 0.00 C ATOM 561 O ASN A 38 -6.010 3.466 -12.825 1.00 0.00 O ATOM 562 CB ASN A 38 -5.423 0.393 -12.939 1.00 0.00 C ATOM 563 CG ASN A 38 -4.331 -0.589 -12.561 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.162 -0.392 -12.892 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.710 -1.655 -11.865 1.00 0.00 N ATOM 0 H ASN A 38 -6.740 -0.401 -11.014 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.898 1.678 -11.297 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.304 -0.157 -13.269 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.089 0.996 -13.783 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.020 -2.351 -11.583 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.691 -1.777 -11.613 1.00 0.00 H new ATOM 572 N SER A 39 -7.910 2.458 -12.161 1.00 0.00 N ATOM 573 CA SER A 39 -8.774 3.538 -12.623 1.00 0.00 C ATOM 574 C SER A 39 -8.520 4.815 -11.828 1.00 0.00 C ATOM 575 O SER A 39 -8.699 5.922 -12.336 1.00 0.00 O ATOM 576 CB SER A 39 -10.244 3.131 -12.502 1.00 0.00 C ATOM 577 OG SER A 39 -11.046 3.836 -13.433 1.00 0.00 O ATOM 0 H SER A 39 -8.405 1.677 -11.730 1.00 0.00 H new ATOM 0 HA SER A 39 -8.544 3.732 -13.671 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.343 2.059 -12.671 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.597 3.328 -11.490 1.00 0.00 H new ATOM 0 HG SER A 39 -11.981 3.557 -13.337 1.00 0.00 H new ATOM 583 N ALA A 40 -8.103 4.652 -10.577 1.00 0.00 N ATOM 584 CA ALA A 40 -7.823 5.791 -9.710 1.00 0.00 C ATOM 585 C ALA A 40 -6.382 6.262 -9.872 1.00 0.00 C ATOM 586 O ALA A 40 -6.089 7.451 -9.738 1.00 0.00 O ATOM 587 CB ALA A 40 -8.103 5.431 -8.259 1.00 0.00 C ATOM 0 H ALA A 40 -7.951 3.743 -10.141 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.480 6.610 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.890 6.290 -7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.150 5.150 -8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.470 4.595 -7.963 1.00 0.00 H new ATOM 593 N ILE A 41 -5.486 5.324 -10.160 1.00 0.00 N ATOM 594 CA ILE A 41 -4.076 5.645 -10.341 1.00 0.00 C ATOM 595 C ILE A 41 -3.881 6.648 -11.472 1.00 0.00 C ATOM 596 O ILE A 41 -3.383 7.753 -11.256 1.00 0.00 O ATOM 597 CB ILE A 41 -3.245 4.383 -10.640 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.355 3.387 -9.483 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.791 4.753 -10.891 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.719 2.047 -9.776 1.00 0.00 C ATOM 0 H ILE A 41 -5.712 4.336 -10.273 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.730 6.085 -9.405 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.640 3.911 -11.540 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.885 3.817 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.408 3.236 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.217 3.851 -11.101 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.730 5.429 -11.744 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.383 5.245 -10.008 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.835 1.392 -8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.204 1.595 -10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.658 2.186 -9.986 1.00 0.00 H new ATOM 612 N GLU A 42 -4.278 6.256 -12.679 1.00 0.00 N ATOM 613 CA GLU A 42 -4.147 7.123 -13.844 1.00 0.00 C ATOM 614 C GLU A 42 -4.704 8.513 -13.554 1.00 0.00 C ATOM 615 O GLU A 42 -4.008 9.516 -13.707 1.00 0.00 O ATOM 616 CB GLU A 42 -4.871 6.512 -15.045 1.00 0.00 C ATOM 617 CG GLU A 42 -4.008 5.563 -15.859 1.00 0.00 C ATOM 618 CD GLU A 42 -4.505 5.395 -17.282 1.00 0.00 C ATOM 619 OE1 GLU A 42 -5.552 4.741 -17.472 1.00 0.00 O ATOM 620 OE2 GLU A 42 -3.848 5.920 -18.205 1.00 0.00 O ATOM 0 H GLU A 42 -4.692 5.345 -12.875 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.086 7.218 -14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.752 5.976 -14.693 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.224 7.315 -15.693 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.984 5.935 -15.878 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.984 4.589 -15.369 1.00 0.00 H new ATOM 627 N ASN A 43 -5.964 8.564 -13.133 1.00 0.00 N ATOM 628 CA ASN A 43 -6.615 9.831 -12.822 1.00 0.00 C ATOM 629 C ASN A 43 -5.626 10.815 -12.206 1.00 0.00 C ATOM 630 O ASN A 43 -5.500 11.953 -12.660 1.00 0.00 O ATOM 631 CB ASN A 43 -7.788 9.603 -11.866 1.00 0.00 C ATOM 632 CG ASN A 43 -9.076 9.278 -12.598 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.247 9.633 -13.764 1.00 0.00 O ATOM 634 ND2 ASN A 43 -9.990 8.600 -11.914 1.00 0.00 N ATOM 0 H ASN A 43 -6.554 7.743 -13.000 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.990 10.257 -13.753 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.545 8.788 -11.185 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.935 10.495 -11.256 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.877 8.353 -12.354 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.805 8.326 -10.949 1.00 0.00 H new ATOM 641 N LEU A 44 -4.924 10.369 -11.169 1.00 0.00 N ATOM 642 CA LEU A 44 -3.944 11.209 -10.490 1.00 0.00 C ATOM 643 C LEU A 44 -2.706 11.411 -11.357 1.00 0.00 C ATOM 644 O LEU A 44 -2.353 12.539 -11.700 1.00 0.00 O ATOM 645 CB LEU A 44 -3.547 10.584 -9.152 1.00 0.00 C ATOM 646 CG LEU A 44 -4.699 10.191 -8.226 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.290 9.038 -7.324 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.148 11.386 -7.398 1.00 0.00 C ATOM 0 H LEU A 44 -5.016 9.430 -10.781 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.400 12.182 -10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.949 9.695 -9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.905 11.287 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.538 9.864 -8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.123 8.773 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.018 8.177 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.435 9.336 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.968 11.088 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.314 11.744 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.483 12.183 -8.062 1.00 0.00 H new ATOM 660 N MET A 45 -2.051 10.309 -11.711 1.00 0.00 N ATOM 661 CA MET A 45 -0.854 10.366 -12.541 1.00 0.00 C ATOM 662 C MET A 45 -0.993 11.432 -13.624 1.00 0.00 C ATOM 663 O MET A 45 -0.031 12.128 -13.951 1.00 0.00 O ATOM 664 CB MET A 45 -0.587 9.003 -13.183 1.00 0.00 C ATOM 665 CG MET A 45 -0.191 7.928 -12.183 1.00 0.00 C ATOM 666 SD MET A 45 0.803 6.621 -12.927 1.00 0.00 S ATOM 667 CE MET A 45 1.585 5.922 -11.475 1.00 0.00 C ATOM 0 H MET A 45 -2.329 9.367 -11.436 1.00 0.00 H new ATOM 0 HA MET A 45 -0.012 10.630 -11.902 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.481 8.680 -13.716 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.205 9.108 -13.924 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.369 8.385 -11.367 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.091 7.492 -11.748 1.00 0.00 H new ATOM 0 HE1 MET A 45 1.999 4.944 -11.720 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.385 6.582 -11.140 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.847 5.814 -10.680 1.00 0.00 H new ATOM 677 N THR A 46 -2.195 11.553 -14.177 1.00 0.00 N ATOM 678 CA THR A 46 -2.459 12.533 -15.224 1.00 0.00 C ATOM 679 C THR A 46 -2.541 13.943 -14.649 1.00 0.00 C ATOM 680 O THR A 46 -1.949 14.878 -15.189 1.00 0.00 O ATOM 681 CB THR A 46 -3.770 12.218 -15.970 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.848 12.093 -15.036 1.00 0.00 O ATOM 683 CG2 THR A 46 -3.639 10.935 -16.776 1.00 0.00 C ATOM 0 H THR A 46 -3.002 10.985 -13.918 1.00 0.00 H new ATOM 0 HA THR A 46 -1.627 12.478 -15.926 1.00 0.00 H new ATOM 0 HB THR A 46 -3.978 13.039 -16.656 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.487 11.946 -14.137 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.577 10.733 -17.294 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.837 11.044 -17.506 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.409 10.106 -16.106 1.00 0.00 H new ATOM 691 N SER A 47 -3.276 14.088 -13.552 1.00 0.00 N ATOM 692 CA SER A 47 -3.437 15.385 -12.906 1.00 0.00 C ATOM 693 C SER A 47 -2.089 15.939 -12.455 1.00 0.00 C ATOM 694 O SER A 47 -1.717 17.059 -12.806 1.00 0.00 O ATOM 695 CB SER A 47 -4.380 15.268 -11.706 1.00 0.00 C ATOM 696 OG SER A 47 -5.726 15.486 -12.092 1.00 0.00 O ATOM 0 H SER A 47 -3.770 13.323 -13.092 1.00 0.00 H new ATOM 0 HA SER A 47 -3.869 16.073 -13.633 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.282 14.279 -11.258 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.095 15.993 -10.944 1.00 0.00 H new ATOM 0 HG SER A 47 -6.308 15.404 -11.308 1.00 0.00 H new ATOM 702 N SER A 48 -1.361 15.146 -11.675 1.00 0.00 N ATOM 703 CA SER A 48 -0.055 15.557 -11.173 1.00 0.00 C ATOM 704 C SER A 48 1.062 14.785 -11.868 1.00 0.00 C ATOM 705 O SER A 48 0.894 13.620 -12.230 1.00 0.00 O ATOM 706 CB SER A 48 0.024 15.339 -9.661 1.00 0.00 C ATOM 707 OG SER A 48 -0.820 16.245 -8.970 1.00 0.00 O ATOM 0 H SER A 48 -1.654 14.215 -11.377 1.00 0.00 H new ATOM 0 HA SER A 48 0.072 16.618 -11.388 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.264 14.315 -9.423 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.053 15.467 -9.325 1.00 0.00 H new ATOM 0 HG SER A 48 -0.753 16.084 -8.006 1.00 0.00 H new ATOM 713 N SER A 49 2.202 15.443 -12.051 1.00 0.00 N ATOM 714 CA SER A 49 3.347 14.821 -12.707 1.00 0.00 C ATOM 715 C SER A 49 4.221 14.089 -11.693 1.00 0.00 C ATOM 716 O SER A 49 4.067 14.260 -10.484 1.00 0.00 O ATOM 717 CB SER A 49 4.175 15.876 -13.443 1.00 0.00 C ATOM 718 OG SER A 49 3.519 16.306 -14.623 1.00 0.00 O ATOM 0 H SER A 49 2.358 16.406 -11.755 1.00 0.00 H new ATOM 0 HA SER A 49 2.972 14.096 -13.429 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.348 16.730 -12.788 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.152 15.465 -13.696 1.00 0.00 H new ATOM 0 HG SER A 49 4.067 16.981 -15.075 1.00 0.00 H new ATOM 724 N LYS A 50 5.140 13.271 -12.196 1.00 0.00 N ATOM 725 CA LYS A 50 6.041 12.512 -11.337 1.00 0.00 C ATOM 726 C LYS A 50 6.763 13.431 -10.358 1.00 0.00 C ATOM 727 O LYS A 50 6.876 13.123 -9.172 1.00 0.00 O ATOM 728 CB LYS A 50 7.062 11.748 -12.184 1.00 0.00 C ATOM 729 CG LYS A 50 8.132 11.049 -11.362 1.00 0.00 C ATOM 730 CD LYS A 50 8.754 9.893 -12.126 1.00 0.00 C ATOM 731 CE LYS A 50 9.660 9.058 -11.233 1.00 0.00 C ATOM 732 NZ LYS A 50 10.903 9.791 -10.864 1.00 0.00 N ATOM 0 H LYS A 50 5.280 13.117 -13.195 1.00 0.00 H new ATOM 0 HA LYS A 50 5.445 11.800 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.539 11.008 -12.789 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.541 12.442 -12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.907 11.765 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.696 10.680 -10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.966 9.262 -12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.327 10.279 -12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.121 8.779 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.923 8.133 -11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.493 9.189 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.431 10.035 -11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.654 10.661 -10.352 1.00 0.00 H new ATOM 746 N GLU A 51 7.248 14.562 -10.862 1.00 0.00 N ATOM 747 CA GLU A 51 7.958 15.526 -10.030 1.00 0.00 C ATOM 748 C GLU A 51 6.998 16.236 -9.080 1.00 0.00 C ATOM 749 O GLU A 51 7.367 16.591 -7.960 1.00 0.00 O ATOM 750 CB GLU A 51 8.680 16.553 -10.905 1.00 0.00 C ATOM 751 CG GLU A 51 7.740 17.434 -11.711 1.00 0.00 C ATOM 752 CD GLU A 51 8.464 18.559 -12.425 1.00 0.00 C ATOM 753 OE1 GLU A 51 9.222 19.294 -11.757 1.00 0.00 O ATOM 754 OE2 GLU A 51 8.272 18.706 -13.650 1.00 0.00 O ATOM 0 H GLU A 51 7.162 14.833 -11.842 1.00 0.00 H new ATOM 0 HA GLU A 51 8.694 14.983 -9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.302 17.185 -10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.349 16.030 -11.588 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.214 16.822 -12.444 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.985 17.856 -11.048 1.00 0.00 H new ATOM 761 N ASP A 52 5.767 16.438 -9.535 1.00 0.00 N ATOM 762 CA ASP A 52 4.753 17.105 -8.726 1.00 0.00 C ATOM 763 C ASP A 52 4.510 16.345 -7.425 1.00 0.00 C ATOM 764 O ASP A 52 4.238 16.946 -6.386 1.00 0.00 O ATOM 765 CB ASP A 52 3.446 17.230 -9.509 1.00 0.00 C ATOM 766 CG ASP A 52 2.426 18.100 -8.801 1.00 0.00 C ATOM 767 OD1 ASP A 52 2.575 18.313 -7.579 1.00 0.00 O ATOM 768 OD2 ASP A 52 1.481 18.569 -9.468 1.00 0.00 O ATOM 0 H ASP A 52 5.447 16.150 -10.459 1.00 0.00 H new ATOM 0 HA ASP A 52 5.117 18.103 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.655 17.648 -10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.025 16.237 -9.667 1.00 0.00 H new ATOM 773 N TRP A 53 4.609 15.023 -7.491 1.00 0.00 N ATOM 774 CA TRP A 53 4.399 14.181 -6.318 1.00 0.00 C ATOM 775 C TRP A 53 5.463 14.447 -5.259 1.00 0.00 C ATOM 776 O TRP A 53 6.644 14.152 -5.444 1.00 0.00 O ATOM 777 CB TRP A 53 4.415 12.704 -6.715 1.00 0.00 C ATOM 778 CG TRP A 53 3.700 12.427 -8.003 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.718 13.185 -8.575 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.910 11.314 -8.878 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.305 12.610 -9.752 1.00 0.00 N ATOM 782 CE2 TRP A 53 3.021 11.461 -9.961 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.764 10.208 -8.853 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.963 10.543 -11.006 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.704 9.297 -9.891 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.810 9.469 -10.956 1.00 0.00 C ATOM 0 H TRP A 53 4.833 14.510 -8.344 1.00 0.00 H new ATOM 0 HA TRP A 53 3.424 14.426 -5.896 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.449 12.370 -6.803 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.956 12.116 -5.920 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.324 14.102 -8.162 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.582 12.979 -10.370 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.458 10.068 -8.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.274 10.674 -11.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.358 8.437 -9.881 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.789 8.740 -11.753 1.00 0.00 H new ATOM 797 N PRO A 54 5.038 15.019 -4.123 1.00 0.00 N ATOM 798 CA PRO A 54 5.940 15.336 -3.012 1.00 0.00 C ATOM 799 C PRO A 54 6.454 14.086 -2.306 1.00 0.00 C ATOM 800 O PRO A 54 5.680 13.191 -1.966 1.00 0.00 O ATOM 801 CB PRO A 54 5.063 16.161 -2.067 1.00 0.00 C ATOM 802 CG PRO A 54 3.670 15.725 -2.367 1.00 0.00 C ATOM 803 CD PRO A 54 3.645 15.398 -3.834 1.00 0.00 C ATOM 0 HA PRO A 54 6.835 15.858 -3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.320 15.975 -1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.190 17.230 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.396 14.856 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.955 16.513 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.954 14.584 -4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.329 16.254 -4.431 1.00 0.00 H new ATOM 811 N SER A 55 7.764 14.030 -2.089 1.00 0.00 N ATOM 812 CA SER A 55 8.382 12.887 -1.427 1.00 0.00 C ATOM 813 C SER A 55 7.966 12.819 0.039 1.00 0.00 C ATOM 814 O SER A 55 8.139 13.779 0.790 1.00 0.00 O ATOM 815 CB SER A 55 9.906 12.971 -1.534 1.00 0.00 C ATOM 816 OG SER A 55 10.321 13.011 -2.888 1.00 0.00 O ATOM 0 H SER A 55 8.418 14.763 -2.362 1.00 0.00 H new ATOM 0 HA SER A 55 8.040 11.980 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.262 13.861 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.356 12.111 -1.038 1.00 0.00 H new ATOM 0 HG SER A 55 11.299 13.066 -2.929 1.00 0.00 H new ATOM 822 N VAL A 56 7.417 11.677 0.440 1.00 0.00 N ATOM 823 CA VAL A 56 6.977 11.481 1.816 1.00 0.00 C ATOM 824 C VAL A 56 7.392 10.109 2.336 1.00 0.00 C ATOM 825 O VAL A 56 7.821 9.248 1.569 1.00 0.00 O ATOM 826 CB VAL A 56 5.449 11.625 1.942 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.990 12.963 1.382 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.746 10.474 1.239 1.00 0.00 C ATOM 0 H VAL A 56 7.266 10.873 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 56 7.458 12.254 2.415 1.00 0.00 H new ATOM 0 HB VAL A 56 5.184 11.591 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.908 13.046 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.468 13.772 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.265 13.031 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.667 10.592 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.016 10.474 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.051 9.530 1.692 1.00 0.00 H new ATOM 838 N ASN A 57 7.261 9.914 3.644 1.00 0.00 N ATOM 839 CA ASN A 57 7.622 8.646 4.267 1.00 0.00 C ATOM 840 C ASN A 57 6.377 7.839 4.622 1.00 0.00 C ATOM 841 O ASN A 57 5.476 8.336 5.298 1.00 0.00 O ATOM 842 CB ASN A 57 8.460 8.892 5.524 1.00 0.00 C ATOM 843 CG ASN A 57 9.350 10.112 5.395 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.778 10.470 4.297 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.635 10.758 6.520 1.00 0.00 N ATOM 0 H ASN A 57 6.908 10.617 4.293 1.00 0.00 H new ATOM 0 HA ASN A 57 8.212 8.073 3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.797 9.018 6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.076 8.015 5.724 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.230 11.586 6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.259 10.426 7.408 1.00 0.00 H new ATOM 852 N MET A 58 6.334 6.593 4.162 1.00 0.00 N ATOM 853 CA MET A 58 5.200 5.717 4.433 1.00 0.00 C ATOM 854 C MET A 58 5.461 4.855 5.664 1.00 0.00 C ATOM 855 O MET A 58 6.282 3.940 5.629 1.00 0.00 O ATOM 856 CB MET A 58 4.916 4.826 3.223 1.00 0.00 C ATOM 857 CG MET A 58 3.886 3.742 3.495 1.00 0.00 C ATOM 858 SD MET A 58 3.425 2.833 2.007 1.00 0.00 S ATOM 859 CE MET A 58 2.706 4.142 1.019 1.00 0.00 C ATOM 0 H MET A 58 7.071 6.167 3.600 1.00 0.00 H new ATOM 0 HA MET A 58 4.328 6.342 4.627 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.568 5.448 2.398 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.846 4.359 2.900 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.284 3.045 4.233 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.995 4.194 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.757 3.804 0.602 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.536 5.018 1.644 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.387 4.402 0.208 1.00 0.00 H new ATOM 869 N ASN A 59 4.757 5.154 6.751 1.00 0.00 N ATOM 870 CA ASN A 59 4.914 4.406 7.993 1.00 0.00 C ATOM 871 C ASN A 59 3.900 3.269 8.075 1.00 0.00 C ATOM 872 O ASN A 59 2.694 3.503 8.159 1.00 0.00 O ATOM 873 CB ASN A 59 4.752 5.336 9.197 1.00 0.00 C ATOM 874 CG ASN A 59 5.721 6.503 9.160 1.00 0.00 C ATOM 875 OD1 ASN A 59 6.706 6.529 9.899 1.00 0.00 O ATOM 876 ND2 ASN A 59 5.444 7.474 8.299 1.00 0.00 N ATOM 0 H ASN A 59 4.072 5.909 6.797 1.00 0.00 H new ATOM 0 HA ASN A 59 5.916 3.977 8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.731 5.716 9.225 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.906 4.768 10.115 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.059 8.285 8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.616 7.409 7.706 1.00 0.00 H new ATOM 883 N VAL A 60 4.397 2.037 8.051 1.00 0.00 N ATOM 884 CA VAL A 60 3.536 0.863 8.124 1.00 0.00 C ATOM 885 C VAL A 60 3.776 0.085 9.413 1.00 0.00 C ATOM 886 O VAL A 60 4.720 -0.698 9.511 1.00 0.00 O ATOM 887 CB VAL A 60 3.761 -0.074 6.923 1.00 0.00 C ATOM 888 CG1 VAL A 60 2.892 -1.317 7.045 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.480 0.656 5.618 1.00 0.00 C ATOM 0 H VAL A 60 5.392 1.826 7.981 1.00 0.00 H new ATOM 0 HA VAL A 60 2.508 1.224 8.106 1.00 0.00 H new ATOM 0 HB VAL A 60 4.805 -0.388 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.065 -1.967 6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.146 -1.850 7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.842 -1.026 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.644 -0.021 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.446 1.001 5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.149 1.512 5.529 1.00 0.00 H new ATOM 899 N ALA A 61 2.913 0.305 10.400 1.00 0.00 N ATOM 900 CA ALA A 61 3.030 -0.377 11.683 1.00 0.00 C ATOM 901 C ALA A 61 2.570 -1.827 11.577 1.00 0.00 C ATOM 902 O ALA A 61 2.162 -2.283 10.508 1.00 0.00 O ATOM 903 CB ALA A 61 2.226 0.357 12.746 1.00 0.00 C ATOM 0 H ALA A 61 2.126 0.950 10.335 1.00 0.00 H new ATOM 0 HA ALA A 61 4.081 -0.376 11.973 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.322 -0.163 13.699 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.602 1.375 12.849 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.177 0.386 12.453 1.00 0.00 H new ATOM 909 N ASP A 62 2.638 -2.548 12.691 1.00 0.00 N ATOM 910 CA ASP A 62 2.229 -3.947 12.723 1.00 0.00 C ATOM 911 C ASP A 62 0.918 -4.147 11.969 1.00 0.00 C ATOM 912 O ASP A 62 0.861 -4.889 10.990 1.00 0.00 O ATOM 913 CB ASP A 62 2.078 -4.423 14.169 1.00 0.00 C ATOM 914 CG ASP A 62 2.070 -5.935 14.283 1.00 0.00 C ATOM 915 OD1 ASP A 62 0.978 -6.531 14.179 1.00 0.00 O ATOM 916 OD2 ASP A 62 3.156 -6.521 14.477 1.00 0.00 O ATOM 0 H ASP A 62 2.973 -2.186 13.584 1.00 0.00 H new ATOM 0 HA ASP A 62 3.003 -4.538 12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.895 -4.021 14.768 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.152 -4.025 14.585 1.00 0.00 H new ATOM 921 N ALA A 63 -0.134 -3.480 12.434 1.00 0.00 N ATOM 922 CA ALA A 63 -1.444 -3.583 11.803 1.00 0.00 C ATOM 923 C ALA A 63 -2.009 -2.204 11.482 1.00 0.00 C ATOM 924 O ALA A 63 -3.213 -1.971 11.600 1.00 0.00 O ATOM 925 CB ALA A 63 -2.402 -4.353 12.700 1.00 0.00 C ATOM 0 H ALA A 63 -0.104 -2.863 13.245 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.327 -4.125 10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.377 -4.423 12.217 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.011 -5.355 12.874 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.506 -3.833 13.653 1.00 0.00 H new ATOM 931 N THR A 64 -1.133 -1.290 11.074 1.00 0.00 N ATOM 932 CA THR A 64 -1.545 0.066 10.738 1.00 0.00 C ATOM 933 C THR A 64 -0.635 0.669 9.673 1.00 0.00 C ATOM 934 O THR A 64 0.541 0.319 9.577 1.00 0.00 O ATOM 935 CB THR A 64 -1.538 0.980 11.978 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.121 0.296 13.093 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.304 2.266 11.708 1.00 0.00 C ATOM 0 H THR A 64 -0.134 -1.465 10.969 1.00 0.00 H new ATOM 0 HA THR A 64 -2.562 -0.000 10.350 1.00 0.00 H new ATOM 0 HB THR A 64 -0.504 1.235 12.208 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.112 0.883 13.878 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.285 2.895 12.598 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.840 2.798 10.878 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.337 2.028 11.454 1.00 0.00 H new ATOM 945 N VAL A 65 -1.188 1.576 8.874 1.00 0.00 N ATOM 946 CA VAL A 65 -0.426 2.228 7.816 1.00 0.00 C ATOM 947 C VAL A 65 -0.642 3.737 7.833 1.00 0.00 C ATOM 948 O VAL A 65 -1.622 4.243 7.285 1.00 0.00 O ATOM 949 CB VAL A 65 -0.811 1.682 6.428 1.00 0.00 C ATOM 950 CG1 VAL A 65 -0.137 2.490 5.330 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.448 0.209 6.316 1.00 0.00 C ATOM 0 H VAL A 65 -2.161 1.876 8.939 1.00 0.00 H new ATOM 0 HA VAL A 65 0.626 2.012 8.005 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.890 1.778 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.421 2.089 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.451 3.531 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.945 2.429 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.727 -0.160 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.626 0.087 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.982 -0.356 7.079 1.00 0.00 H new ATOM 961 N THR A 66 0.281 4.454 8.468 1.00 0.00 N ATOM 962 CA THR A 66 0.192 5.906 8.558 1.00 0.00 C ATOM 963 C THR A 66 1.108 6.577 7.542 1.00 0.00 C ATOM 964 O THR A 66 2.196 6.082 7.249 1.00 0.00 O ATOM 965 CB THR A 66 0.557 6.405 9.969 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.141 5.636 10.956 1.00 0.00 O ATOM 967 CG2 THR A 66 0.212 7.878 10.129 1.00 0.00 C ATOM 0 H THR A 66 1.098 4.052 8.927 1.00 0.00 H new ATOM 0 HA THR A 66 -0.843 6.173 8.342 1.00 0.00 H new ATOM 0 HB THR A 66 1.631 6.283 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.097 5.958 11.850 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.479 8.207 11.133 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.767 8.463 9.396 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.857 8.020 9.973 1.00 0.00 H new ATOM 975 N VAL A 67 0.662 7.709 7.006 1.00 0.00 N ATOM 976 CA VAL A 67 1.443 8.450 6.023 1.00 0.00 C ATOM 977 C VAL A 67 1.987 9.745 6.616 1.00 0.00 C ATOM 978 O VAL A 67 1.225 10.614 7.039 1.00 0.00 O ATOM 979 CB VAL A 67 0.604 8.783 4.775 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.341 9.771 3.884 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.262 7.514 4.009 1.00 0.00 C ATOM 0 H VAL A 67 -0.237 8.133 7.236 1.00 0.00 H new ATOM 0 HA VAL A 67 2.275 7.809 5.732 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.328 9.247 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.733 9.994 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.530 10.690 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.289 9.337 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.331 7.768 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.181 7.019 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.310 6.844 4.651 1.00 0.00 H new ATOM 991 N ILE A 68 3.310 9.866 6.643 1.00 0.00 N ATOM 992 CA ILE A 68 3.956 11.056 7.183 1.00 0.00 C ATOM 993 C ILE A 68 4.802 11.752 6.122 1.00 0.00 C ATOM 994 O ILE A 68 5.376 11.103 5.247 1.00 0.00 O ATOM 995 CB ILE A 68 4.849 10.713 8.390 1.00 0.00 C ATOM 996 CG1 ILE A 68 4.046 9.946 9.443 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.441 11.980 8.988 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.910 9.257 10.477 1.00 0.00 C ATOM 0 H ILE A 68 3.955 9.155 6.298 1.00 0.00 H new ATOM 0 HA ILE A 68 3.160 11.726 7.508 1.00 0.00 H new ATOM 0 HB ILE A 68 5.667 10.079 8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.370 10.637 9.948 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.426 9.201 8.944 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.070 11.721 9.840 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.042 12.491 8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.636 12.637 9.317 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.275 8.733 11.191 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.568 8.541 9.983 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.511 9.999 11.002 1.00 0.00 H new ATOM 1010 N SER A 69 4.875 13.076 6.206 1.00 0.00 N ATOM 1011 CA SER A 69 5.649 13.861 5.251 1.00 0.00 C ATOM 1012 C SER A 69 7.146 13.693 5.497 1.00 0.00 C ATOM 1013 O SER A 69 7.558 13.073 6.476 1.00 0.00 O ATOM 1014 CB SER A 69 5.268 15.340 5.346 1.00 0.00 C ATOM 1015 OG SER A 69 5.534 16.014 4.129 1.00 0.00 O ATOM 0 H SER A 69 4.408 13.628 6.925 1.00 0.00 H new ATOM 0 HA SER A 69 5.420 13.498 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.210 15.431 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.825 15.811 6.156 1.00 0.00 H new ATOM 0 HG SER A 69 5.280 16.957 4.215 1.00 0.00 H new ATOM 1021 N GLU A 70 7.953 14.252 4.600 1.00 0.00 N ATOM 1022 CA GLU A 70 9.403 14.163 4.719 1.00 0.00 C ATOM 1023 C GLU A 70 9.938 15.237 5.663 1.00 0.00 C ATOM 1024 O GLU A 70 10.858 14.991 6.443 1.00 0.00 O ATOM 1025 CB GLU A 70 10.059 14.305 3.344 1.00 0.00 C ATOM 1026 CG GLU A 70 11.480 13.768 3.290 1.00 0.00 C ATOM 1027 CD GLU A 70 12.317 14.441 2.219 1.00 0.00 C ATOM 1028 OE1 GLU A 70 12.046 15.618 1.906 1.00 0.00 O ATOM 1029 OE2 GLU A 70 13.244 13.788 1.695 1.00 0.00 O ATOM 0 H GLU A 70 7.627 14.770 3.784 1.00 0.00 H new ATOM 0 HA GLU A 70 9.649 13.185 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.453 13.780 2.605 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.066 15.358 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.955 13.910 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.452 12.695 3.103 1.00 0.00 H new ATOM 1036 N LYS A 71 9.355 16.428 5.585 1.00 0.00 N ATOM 1037 CA LYS A 71 9.771 17.541 6.431 1.00 0.00 C ATOM 1038 C LYS A 71 9.409 17.279 7.890 1.00 0.00 C ATOM 1039 O LYS A 71 10.273 16.963 8.706 1.00 0.00 O ATOM 1040 CB LYS A 71 9.117 18.841 5.957 1.00 0.00 C ATOM 1041 CG LYS A 71 9.515 19.243 4.547 1.00 0.00 C ATOM 1042 CD LYS A 71 9.216 20.709 4.280 1.00 0.00 C ATOM 1043 CE LYS A 71 9.836 21.174 2.972 1.00 0.00 C ATOM 1044 NZ LYS A 71 10.033 22.650 2.946 1.00 0.00 N ATOM 0 H LYS A 71 8.592 16.648 4.944 1.00 0.00 H new ATOM 0 HA LYS A 71 10.854 17.638 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.034 18.730 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.384 19.644 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.579 19.055 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.980 18.624 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.137 20.861 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.599 21.315 5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.795 20.677 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.196 20.878 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.458 22.928 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.115 23.125 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.665 22.930 3.723 1.00 0.00 H new ATOM 1058 N ASN A 72 8.126 17.413 8.209 1.00 0.00 N ATOM 1059 CA ASN A 72 7.650 17.190 9.570 1.00 0.00 C ATOM 1060 C ASN A 72 7.286 15.725 9.786 1.00 0.00 C ATOM 1061 O ASN A 72 6.660 15.099 8.931 1.00 0.00 O ATOM 1062 CB ASN A 72 6.437 18.077 9.859 1.00 0.00 C ATOM 1063 CG ASN A 72 5.617 18.358 8.616 1.00 0.00 C ATOM 1064 OD1 ASN A 72 5.038 19.435 8.470 1.00 0.00 O ATOM 1065 ND2 ASN A 72 5.562 17.387 7.711 1.00 0.00 N ATOM 0 H ASN A 72 7.398 17.675 7.545 1.00 0.00 H new ATOM 0 HA ASN A 72 8.455 17.450 10.257 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.806 17.594 10.605 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.774 19.020 10.289 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.024 17.518 6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.057 16.510 7.873 1.00 0.00 H new ATOM 1072 N GLU A 73 7.684 15.185 10.934 1.00 0.00 N ATOM 1073 CA GLU A 73 7.399 13.793 11.261 1.00 0.00 C ATOM 1074 C GLU A 73 6.054 13.665 11.971 1.00 0.00 C ATOM 1075 O GLU A 73 5.495 12.573 12.070 1.00 0.00 O ATOM 1076 CB GLU A 73 8.510 13.215 12.141 1.00 0.00 C ATOM 1077 CG GLU A 73 8.697 13.960 13.452 1.00 0.00 C ATOM 1078 CD GLU A 73 9.448 13.143 14.485 1.00 0.00 C ATOM 1079 OE1 GLU A 73 8.797 12.372 15.221 1.00 0.00 O ATOM 1080 OE2 GLU A 73 10.688 13.274 14.558 1.00 0.00 O ATOM 0 H GLU A 73 8.204 15.690 11.652 1.00 0.00 H new ATOM 0 HA GLU A 73 7.353 13.230 10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.286 12.170 12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.448 13.232 11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.238 14.888 13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.721 14.235 13.852 1.00 0.00 H new ATOM 1087 N GLU A 74 5.543 14.788 12.464 1.00 0.00 N ATOM 1088 CA GLU A 74 4.265 14.801 13.167 1.00 0.00 C ATOM 1089 C GLU A 74 3.107 14.971 12.187 1.00 0.00 C ATOM 1090 O GLU A 74 1.946 14.780 12.545 1.00 0.00 O ATOM 1091 CB GLU A 74 4.239 15.926 14.204 1.00 0.00 C ATOM 1092 CG GLU A 74 4.382 17.313 13.601 1.00 0.00 C ATOM 1093 CD GLU A 74 3.080 17.839 13.029 1.00 0.00 C ATOM 1094 OE1 GLU A 74 2.011 17.496 13.578 1.00 0.00 O ATOM 1095 OE2 GLU A 74 3.128 18.591 12.035 1.00 0.00 O ATOM 0 H GLU A 74 5.993 15.700 12.390 1.00 0.00 H new ATOM 0 HA GLU A 74 4.150 13.844 13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.302 15.875 14.759 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.044 15.766 14.921 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.743 18.002 14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.136 17.287 12.814 1.00 0.00 H new ATOM 1102 N GLU A 75 3.435 15.332 10.950 1.00 0.00 N ATOM 1103 CA GLU A 75 2.422 15.529 9.919 1.00 0.00 C ATOM 1104 C GLU A 75 1.843 14.193 9.463 1.00 0.00 C ATOM 1105 O GLU A 75 2.551 13.355 8.904 1.00 0.00 O ATOM 1106 CB GLU A 75 3.019 16.274 8.723 1.00 0.00 C ATOM 1107 CG GLU A 75 2.154 16.213 7.475 1.00 0.00 C ATOM 1108 CD GLU A 75 0.759 16.764 7.705 1.00 0.00 C ATOM 1109 OE1 GLU A 75 0.586 17.568 8.645 1.00 0.00 O ATOM 1110 OE2 GLU A 75 -0.158 16.390 6.945 1.00 0.00 O ATOM 0 H GLU A 75 4.392 15.494 10.638 1.00 0.00 H new ATOM 0 HA GLU A 75 1.617 16.127 10.346 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.175 17.318 8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.999 15.854 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.636 16.776 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.081 15.179 7.138 1.00 0.00 H new ATOM 1117 N VAL A 76 0.550 14.001 9.707 1.00 0.00 N ATOM 1118 CA VAL A 76 -0.125 12.768 9.321 1.00 0.00 C ATOM 1119 C VAL A 76 -1.018 12.988 8.105 1.00 0.00 C ATOM 1120 O VAL A 76 -2.224 13.205 8.237 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.978 12.211 10.476 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.669 10.922 10.057 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -0.120 11.987 11.712 1.00 0.00 C ATOM 0 H VAL A 76 -0.050 14.683 10.170 1.00 0.00 H new ATOM 0 HA VAL A 76 0.652 12.046 9.071 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.746 12.944 10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.267 10.544 10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.316 11.118 9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.919 10.180 9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.739 11.593 12.518 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.672 11.274 11.481 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.323 12.933 12.024 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.420 12.929 6.920 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.161 13.121 5.679 1.00 0.00 C ATOM 1135 C LEU A 77 -2.395 12.225 5.637 1.00 0.00 C ATOM 1136 O LEU A 77 -3.511 12.698 5.423 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.263 12.829 4.475 1.00 0.00 C ATOM 1138 CG LEU A 77 1.073 13.572 4.439 1.00 0.00 C ATOM 1139 CD1 LEU A 77 1.925 13.081 3.278 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.846 15.073 4.338 1.00 0.00 C ATOM 0 H LEU A 77 0.576 12.750 6.793 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.488 14.160 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.061 11.758 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.816 13.072 3.567 1.00 0.00 H new ATOM 0 HG LEU A 77 1.606 13.367 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.872 13.621 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.117 12.014 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.398 13.256 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.808 15.586 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.292 15.297 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.275 15.414 5.202 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.186 10.929 5.844 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.281 9.967 5.833 1.00 0.00 C ATOM 1154 C VAL A 78 -3.069 8.881 6.882 1.00 0.00 C ATOM 1155 O VAL A 78 -1.968 8.349 7.024 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.435 9.307 4.450 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.552 8.275 4.472 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.691 10.360 3.383 1.00 0.00 C ATOM 0 H VAL A 78 -1.268 10.521 6.021 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.191 10.520 6.066 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.505 8.794 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.646 7.819 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.321 7.504 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.491 8.761 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.797 9.876 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.606 10.903 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.853 11.057 3.351 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.130 8.556 7.613 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.059 7.533 8.650 1.00 0.00 C ATOM 1170 C GLU A 79 -4.963 6.351 8.310 1.00 0.00 C ATOM 1171 O GLU A 79 -6.166 6.380 8.573 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.457 8.120 10.006 1.00 0.00 C ATOM 1173 CG GLU A 79 -3.887 7.357 11.190 1.00 0.00 C ATOM 1174 CD GLU A 79 -3.727 8.227 12.422 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -3.633 9.462 12.267 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.695 7.672 13.540 1.00 0.00 O ATOM 0 H GLU A 79 -5.049 8.986 7.507 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.030 7.178 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.122 9.156 10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.544 8.133 10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.541 6.517 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.918 6.940 10.916 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.375 5.314 7.725 1.00 0.00 N ATOM 1184 CA CYS A 80 -5.127 4.122 7.348 1.00 0.00 C ATOM 1185 C CYS A 80 -4.771 2.946 8.252 1.00 0.00 C ATOM 1186 O CYS A 80 -3.636 2.825 8.712 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.849 3.760 5.888 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.891 2.428 5.247 1.00 0.00 S ATOM 0 H CYS A 80 -3.381 5.274 7.501 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.189 4.339 7.466 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.992 4.647 5.271 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.803 3.468 5.790 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.720 2.323 3.963 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.750 2.083 8.504 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.542 0.919 9.356 1.00 0.00 C ATOM 1196 C ARG A 81 -5.773 -0.373 8.578 1.00 0.00 C ATOM 1197 O ARG A 81 -6.840 -0.579 7.999 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.477 0.972 10.566 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.988 1.892 11.673 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.482 3.316 11.472 1.00 0.00 C ATOM 1201 NE ARG A 81 -6.620 4.032 12.738 1.00 0.00 N ATOM 1202 CZ ARG A 81 -5.611 4.641 13.351 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -4.398 4.622 12.817 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -5.815 5.271 14.501 1.00 0.00 N ATOM 0 H ARG A 81 -6.695 2.168 8.130 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.509 0.934 9.703 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.463 1.303 10.239 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.596 -0.034 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.333 1.519 12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.898 1.884 11.700 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.787 3.853 10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.444 3.297 10.960 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.541 4.066 13.175 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.237 4.139 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.625 5.090 13.290 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.747 5.288 14.915 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.040 5.738 14.971 1.00 0.00 H new ATOM 1218 N VAL A 82 -4.766 -1.240 8.568 1.00 0.00 N ATOM 1219 CA VAL A 82 -4.859 -2.512 7.862 1.00 0.00 C ATOM 1220 C VAL A 82 -6.274 -3.075 7.928 1.00 0.00 C ATOM 1221 O VAL A 82 -6.846 -3.466 6.911 1.00 0.00 O ATOM 1222 CB VAL A 82 -3.878 -3.549 8.440 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -4.109 -4.914 7.810 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.441 -3.094 8.235 1.00 0.00 C ATOM 0 H VAL A 82 -3.876 -1.085 9.041 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.597 -2.316 6.822 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.059 -3.636 9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.406 -5.633 8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.129 -5.241 8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.958 -4.848 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.761 -3.838 8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.245 -2.977 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.286 -2.140 8.739 1.00 0.00 H new ATOM 1234 N ARG A 83 -6.834 -3.114 9.133 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.182 -3.630 9.333 1.00 0.00 C ATOM 1236 C ARG A 83 -9.170 -2.952 8.388 1.00 0.00 C ATOM 1237 O ARG A 83 -9.990 -3.614 7.751 1.00 0.00 O ATOM 1238 CB ARG A 83 -8.622 -3.420 10.783 1.00 0.00 C ATOM 1239 CG ARG A 83 -7.714 -4.094 11.799 1.00 0.00 C ATOM 1240 CD ARG A 83 -8.129 -5.536 12.046 1.00 0.00 C ATOM 1241 NE ARG A 83 -7.520 -6.453 11.086 1.00 0.00 N ATOM 1242 CZ ARG A 83 -7.481 -7.770 11.251 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -8.014 -8.323 12.332 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -6.909 -8.539 10.332 1.00 0.00 N ATOM 0 H ARG A 83 -6.374 -2.794 9.985 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.171 -4.698 9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.656 -2.351 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.636 -3.801 10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.684 -4.066 11.443 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.742 -3.540 12.737 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.844 -5.827 13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.214 -5.616 11.986 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.102 -6.060 10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.456 -7.736 13.040 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.982 -9.335 12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.499 -8.118 9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.880 -9.551 10.460 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.086 -1.628 8.302 1.00 0.00 N ATOM 1259 CA PHE A 84 -9.972 -0.860 7.436 1.00 0.00 C ATOM 1260 C PHE A 84 -9.702 -1.172 5.967 1.00 0.00 C ATOM 1261 O PHE A 84 -10.603 -1.103 5.130 1.00 0.00 O ATOM 1262 CB PHE A 84 -9.797 0.638 7.691 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.452 1.111 8.958 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -10.181 0.490 10.167 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -11.339 2.175 8.940 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -10.781 0.923 11.334 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -11.942 2.612 10.104 1.00 0.00 C ATOM 1268 CZ PHE A 84 -11.663 1.985 11.302 1.00 0.00 C ATOM 0 H PHE A 84 -8.413 -1.065 8.822 1.00 0.00 H new ATOM 0 HA PHE A 84 -10.999 -1.143 7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.733 0.869 7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.210 1.193 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.493 -0.342 10.197 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.562 2.669 8.006 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.560 0.431 12.270 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.631 3.443 10.077 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.134 2.325 12.213 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.456 -1.515 5.661 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.065 -1.837 4.293 1.00 0.00 C ATOM 1280 C LEU A 85 -9.008 -2.872 3.687 1.00 0.00 C ATOM 1281 O LEU A 85 -9.069 -4.013 4.144 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.627 -2.361 4.262 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.846 -2.101 2.974 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.350 -2.199 3.228 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.270 -3.078 1.887 1.00 0.00 C ATOM 0 H LEU A 85 -7.699 -1.577 6.342 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.126 -0.925 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.080 -1.913 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.649 -3.436 4.439 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.070 -1.090 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.810 -2.011 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.058 -1.459 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.108 -3.197 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.704 -2.878 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.076 -4.098 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.335 -2.958 1.685 1.00 0.00 H new ATOM 1297 N SER A 86 -9.739 -2.465 2.654 1.00 0.00 N ATOM 1298 CA SER A 86 -10.680 -3.356 1.985 1.00 0.00 C ATOM 1299 C SER A 86 -9.976 -4.184 0.914 1.00 0.00 C ATOM 1300 O SER A 86 -10.115 -5.407 0.867 1.00 0.00 O ATOM 1301 CB SER A 86 -11.819 -2.551 1.358 1.00 0.00 C ATOM 1302 OG SER A 86 -11.329 -1.655 0.375 1.00 0.00 O ATOM 0 H SER A 86 -9.698 -1.524 2.262 1.00 0.00 H new ATOM 0 HA SER A 86 -11.093 -4.035 2.731 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.543 -3.230 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.344 -1.993 2.133 1.00 0.00 H new ATOM 0 HG SER A 86 -10.465 -1.294 0.663 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.221 -3.509 0.054 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.496 -4.180 -1.018 1.00 0.00 C ATOM 1310 C PHE A 87 -7.202 -3.441 -1.346 1.00 0.00 C ATOM 1311 O PHE A 87 -7.155 -2.212 -1.328 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.371 -4.279 -2.270 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.652 -4.845 -3.461 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -7.625 -4.139 -4.067 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -9.002 -6.084 -3.973 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -6.963 -4.658 -5.163 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -8.342 -6.608 -5.069 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.320 -5.894 -5.664 1.00 0.00 C ATOM 0 H PHE A 87 -9.095 -2.497 0.079 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.244 -5.185 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.238 -4.902 -2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.747 -3.287 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.339 -3.173 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.799 -6.647 -3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.166 -4.097 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.625 -7.574 -5.459 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.801 -6.302 -6.519 1.00 0.00 H new ATOM 1328 N MET A 88 -6.153 -4.201 -1.644 1.00 0.00 N ATOM 1329 CA MET A 88 -4.858 -3.619 -1.976 1.00 0.00 C ATOM 1330 C MET A 88 -4.214 -4.357 -3.146 1.00 0.00 C ATOM 1331 O MET A 88 -4.366 -5.570 -3.286 1.00 0.00 O ATOM 1332 CB MET A 88 -3.930 -3.658 -0.760 1.00 0.00 C ATOM 1333 CG MET A 88 -3.325 -5.029 -0.502 1.00 0.00 C ATOM 1334 SD MET A 88 -2.134 -5.018 0.852 1.00 0.00 S ATOM 1335 CE MET A 88 -3.149 -5.614 2.201 1.00 0.00 C ATOM 0 H MET A 88 -6.175 -5.221 -1.662 1.00 0.00 H new ATOM 0 HA MET A 88 -5.018 -2.581 -2.268 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.126 -2.936 -0.903 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.487 -3.344 0.123 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.122 -5.737 -0.274 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.835 -5.382 -1.409 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.572 -5.595 3.126 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.025 -4.975 2.307 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.468 -6.635 1.993 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.494 -3.616 -3.983 1.00 0.00 N ATOM 1346 CA GLY A 89 -2.839 -4.218 -5.129 1.00 0.00 C ATOM 1347 C GLY A 89 -1.801 -3.303 -5.750 1.00 0.00 C ATOM 1348 O GLY A 89 -1.362 -2.337 -5.126 1.00 0.00 O ATOM 0 H GLY A 89 -3.353 -2.610 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.362 -5.149 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.588 -4.475 -5.878 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.407 -3.608 -6.982 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.414 -2.807 -7.688 1.00 0.00 C ATOM 1354 C VAL A 90 -0.878 -2.476 -9.102 1.00 0.00 C ATOM 1355 O VAL A 90 -1.541 -3.283 -9.753 1.00 0.00 O ATOM 1356 CB VAL A 90 0.943 -3.532 -7.761 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.950 -2.702 -8.542 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.460 -3.837 -6.363 1.00 0.00 C ATOM 0 H VAL A 90 -1.760 -4.404 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.294 -1.883 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 90 0.803 -4.477 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.903 -3.230 -8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.581 -2.540 -9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.089 -1.740 -8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.420 -4.349 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.586 -2.906 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.746 -4.475 -5.842 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.526 -1.283 -9.571 1.00 0.00 N ATOM 1369 CA GLY A 91 -0.915 -0.866 -10.905 1.00 0.00 C ATOM 1370 C GLY A 91 -0.103 -1.552 -11.987 1.00 0.00 C ATOM 1371 O GLY A 91 0.635 -2.499 -11.713 1.00 0.00 O ATOM 0 H GLY A 91 0.022 -0.598 -9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.972 -1.083 -11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.795 0.214 -10.994 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.241 -1.076 -13.219 1.00 0.00 N ATOM 1376 CA LYS A 92 0.485 -1.649 -14.347 1.00 0.00 C ATOM 1377 C LYS A 92 1.950 -1.879 -13.991 1.00 0.00 C ATOM 1378 O LYS A 92 2.498 -2.953 -14.240 1.00 0.00 O ATOM 1379 CB LYS A 92 0.383 -0.729 -15.566 1.00 0.00 C ATOM 1380 CG LYS A 92 -0.817 -1.022 -16.450 1.00 0.00 C ATOM 1381 CD LYS A 92 -1.144 0.155 -17.354 1.00 0.00 C ATOM 1382 CE LYS A 92 -2.146 -0.231 -18.431 1.00 0.00 C ATOM 1383 NZ LYS A 92 -3.526 -0.355 -17.885 1.00 0.00 N ATOM 0 H LYS A 92 -0.849 -0.294 -13.463 1.00 0.00 H new ATOM 0 HA LYS A 92 0.033 -2.611 -14.587 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.330 0.305 -15.227 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.293 -0.823 -16.159 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.616 -1.904 -17.058 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.681 -1.255 -15.827 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.547 0.973 -16.757 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.230 0.522 -17.821 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.135 0.518 -19.223 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.848 -1.177 -18.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.179 -0.619 -18.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.543 -1.087 -17.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.821 0.555 -17.477 1.00 0.00 H new ATOM 1397 N ASP A 93 2.578 -0.864 -13.407 1.00 0.00 N ATOM 1398 CA ASP A 93 3.980 -0.956 -13.015 1.00 0.00 C ATOM 1399 C ASP A 93 4.108 -1.383 -11.556 1.00 0.00 C ATOM 1400 O ASP A 93 3.347 -0.935 -10.698 1.00 0.00 O ATOM 1401 CB ASP A 93 4.681 0.385 -13.230 1.00 0.00 C ATOM 1402 CG ASP A 93 4.936 0.676 -14.696 1.00 0.00 C ATOM 1403 OD1 ASP A 93 5.869 0.074 -15.268 1.00 0.00 O ATOM 1404 OD2 ASP A 93 4.201 1.506 -15.272 1.00 0.00 O ATOM 0 H ASP A 93 2.139 0.032 -13.195 1.00 0.00 H new ATOM 0 HA ASP A 93 4.458 -1.710 -13.640 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.072 1.183 -12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.629 0.387 -12.692 1.00 0.00 H new ATOM 1409 N VAL A 94 5.076 -2.252 -11.281 1.00 0.00 N ATOM 1410 CA VAL A 94 5.305 -2.739 -9.926 1.00 0.00 C ATOM 1411 C VAL A 94 5.886 -1.644 -9.039 1.00 0.00 C ATOM 1412 O VAL A 94 5.952 -1.789 -7.818 1.00 0.00 O ATOM 1413 CB VAL A 94 6.256 -3.950 -9.919 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.782 -5.009 -10.903 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.678 -3.512 -10.238 1.00 0.00 C ATOM 0 H VAL A 94 5.714 -2.633 -11.979 1.00 0.00 H new ATOM 0 HA VAL A 94 4.336 -3.045 -9.531 1.00 0.00 H new ATOM 0 HB VAL A 94 6.250 -4.388 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.467 -5.857 -10.883 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.783 -5.344 -10.624 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.756 -4.587 -11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.337 -4.380 -10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.703 -3.048 -11.224 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.014 -2.794 -9.490 1.00 0.00 H new ATOM 1425 N HIS A 95 6.306 -0.547 -9.661 1.00 0.00 N ATOM 1426 CA HIS A 95 6.881 0.575 -8.928 1.00 0.00 C ATOM 1427 C HIS A 95 5.790 1.399 -8.252 1.00 0.00 C ATOM 1428 O HIS A 95 6.072 2.256 -7.413 1.00 0.00 O ATOM 1429 CB HIS A 95 7.697 1.462 -9.869 1.00 0.00 C ATOM 1430 CG HIS A 95 8.986 0.840 -10.311 1.00 0.00 C ATOM 1431 ND1 HIS A 95 9.069 -0.439 -10.820 1.00 0.00 N ATOM 1432 CD2 HIS A 95 10.248 1.329 -10.319 1.00 0.00 C ATOM 1433 CE1 HIS A 95 10.326 -0.710 -11.121 1.00 0.00 C ATOM 1434 NE2 HIS A 95 11.062 0.347 -10.827 1.00 0.00 N ATOM 0 H HIS A 95 6.259 -0.411 -10.671 1.00 0.00 H new ATOM 0 HA HIS A 95 7.539 0.174 -8.157 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.096 1.695 -10.748 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.911 2.407 -9.370 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.557 2.309 -9.987 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.690 -1.638 -11.537 1.00 0.00 H new ATOM 0 HE2 HIS A 95 12.071 0.421 -10.956 1.00 0.00 H new ATOM 1443 N THR A 96 4.540 1.135 -8.622 1.00 0.00 N ATOM 1444 CA THR A 96 3.407 1.853 -8.054 1.00 0.00 C ATOM 1445 C THR A 96 2.719 1.027 -6.972 1.00 0.00 C ATOM 1446 O THR A 96 2.732 -0.203 -7.014 1.00 0.00 O ATOM 1447 CB THR A 96 2.375 2.221 -9.136 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.883 1.034 -9.768 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.990 3.140 -10.180 1.00 0.00 C ATOM 0 H THR A 96 4.288 0.429 -9.313 1.00 0.00 H new ATOM 0 HA THR A 96 3.802 2.768 -7.613 1.00 0.00 H new ATOM 0 HB THR A 96 1.549 2.745 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.590 0.642 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.242 3.386 -10.934 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.337 4.055 -9.700 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.833 2.638 -10.655 1.00 0.00 H new ATOM 1457 N PHE A 97 2.119 1.711 -6.004 1.00 0.00 N ATOM 1458 CA PHE A 97 1.426 1.040 -4.910 1.00 0.00 C ATOM 1459 C PHE A 97 0.179 1.817 -4.498 1.00 0.00 C ATOM 1460 O PHE A 97 0.265 2.967 -4.070 1.00 0.00 O ATOM 1461 CB PHE A 97 2.360 0.879 -3.709 1.00 0.00 C ATOM 1462 CG PHE A 97 1.663 0.401 -2.467 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.961 -0.794 -2.468 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.710 1.145 -1.300 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.318 -1.236 -1.327 1.00 0.00 C ATOM 1466 CE2 PHE A 97 1.070 0.708 -0.156 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.374 -0.484 -0.169 1.00 0.00 C ATOM 0 H PHE A 97 2.098 2.730 -5.954 1.00 0.00 H new ATOM 0 HA PHE A 97 1.120 0.054 -5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.151 0.175 -3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.840 1.835 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.916 -1.386 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.253 2.078 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.228 -2.168 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.114 1.298 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.126 -0.828 0.724 1.00 0.00 H new ATOM 1477 N ALA A 98 -0.979 1.179 -4.633 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.244 1.809 -4.274 1.00 0.00 C ATOM 1479 C ALA A 98 -3.113 0.864 -3.451 1.00 0.00 C ATOM 1480 O ALA A 98 -3.159 -0.338 -3.711 1.00 0.00 O ATOM 1481 CB ALA A 98 -2.985 2.255 -5.525 1.00 0.00 C ATOM 0 H ALA A 98 -1.067 0.227 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.025 2.685 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.928 2.724 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.374 2.972 -6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.185 1.390 -6.157 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.800 1.416 -2.456 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.667 0.622 -1.593 1.00 0.00 C ATOM 1489 C PHE A 99 -5.996 1.333 -1.354 1.00 0.00 C ATOM 1490 O PHE A 99 -6.045 2.559 -1.250 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.976 0.344 -0.257 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.832 1.564 0.608 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.923 2.081 1.287 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.605 2.193 0.742 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.794 3.203 2.084 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.469 3.315 1.538 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.566 3.821 2.208 1.00 0.00 C ATOM 0 H PHE A 99 -3.773 2.410 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.867 -0.325 -2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.543 -0.412 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.988 -0.075 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.886 1.602 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.745 1.802 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.653 3.595 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.507 3.795 1.636 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.463 4.699 2.828 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.070 0.555 -1.268 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.398 1.110 -1.041 1.00 0.00 C ATOM 1509 C ILE A 100 -8.856 0.869 0.394 1.00 0.00 C ATOM 1510 O ILE A 100 -9.008 -0.274 0.824 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.434 0.506 -2.007 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -8.934 0.602 -3.450 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.773 1.211 -1.856 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.510 -0.460 -4.361 1.00 0.00 C ATOM 0 H ILE A 100 -7.046 -0.461 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.327 2.182 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.570 -0.547 -1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.184 1.585 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.847 0.523 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.495 0.773 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.132 1.095 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.654 2.271 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.112 -0.331 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.238 -1.447 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.596 -0.368 -4.386 1.00 0.00 H new ATOM 1526 N MET A 101 -9.077 1.954 1.129 1.00 0.00 N ATOM 1527 CA MET A 101 -9.521 1.861 2.515 1.00 0.00 C ATOM 1528 C MET A 101 -10.973 2.308 2.651 1.00 0.00 C ATOM 1529 O MET A 101 -11.528 2.932 1.747 1.00 0.00 O ATOM 1530 CB MET A 101 -8.626 2.712 3.418 1.00 0.00 C ATOM 1531 CG MET A 101 -8.775 4.206 3.187 1.00 0.00 C ATOM 1532 SD MET A 101 -7.473 5.166 3.984 1.00 0.00 S ATOM 1533 CE MET A 101 -8.245 5.544 5.555 1.00 0.00 C ATOM 0 H MET A 101 -8.956 2.908 0.788 1.00 0.00 H new ATOM 0 HA MET A 101 -9.450 0.818 2.824 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.858 2.489 4.459 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.586 2.429 3.255 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.765 4.407 2.116 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.744 4.533 3.563 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.476 5.671 6.317 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.822 6.464 5.465 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.907 4.727 5.841 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.583 1.984 3.786 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.970 2.353 4.041 1.00 0.00 C ATOM 1545 C ASP A 102 -13.054 3.466 5.080 1.00 0.00 C ATOM 1546 O ASP A 102 -12.800 3.246 6.265 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.765 1.135 4.515 1.00 0.00 C ATOM 1548 CG ASP A 102 -15.195 1.483 4.879 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -15.755 2.413 4.262 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -15.754 0.825 5.781 1.00 0.00 O ATOM 0 H ASP A 102 -11.138 1.466 4.544 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.400 2.718 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.767 0.378 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.269 0.696 5.381 1.00 0.00 H new ATOM 1555 N THR A 103 -13.412 4.664 4.629 1.00 0.00 N ATOM 1556 CA THR A 103 -13.528 5.813 5.518 1.00 0.00 C ATOM 1557 C THR A 103 -14.964 5.999 5.993 1.00 0.00 C ATOM 1558 O THR A 103 -15.308 7.026 6.576 1.00 0.00 O ATOM 1559 CB THR A 103 -13.055 7.107 4.829 1.00 0.00 C ATOM 1560 OG1 THR A 103 -13.835 7.348 3.652 1.00 0.00 O ATOM 1561 CG2 THR A 103 -11.583 7.016 4.457 1.00 0.00 C ATOM 0 H THR A 103 -13.627 4.864 3.652 1.00 0.00 H new ATOM 0 HA THR A 103 -12.888 5.613 6.377 1.00 0.00 H new ATOM 0 HB THR A 103 -13.186 7.933 5.528 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.530 8.173 3.220 1.00 0.00 H new ATOM 0 HG21 THR A 103 -11.272 7.941 3.972 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.989 6.861 5.358 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.431 6.180 3.774 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.503 4.508 0.973 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.497 5.405 0.417 1.00 0.00 C ATOM 1609 C ARG A 107 -16.093 4.958 0.814 1.00 0.00 C ATOM 1610 O ARG A 107 -15.745 4.943 1.994 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.741 6.838 0.894 1.00 0.00 C ATOM 1612 CG ARG A 107 -17.222 7.110 2.296 1.00 0.00 C ATOM 1613 CD ARG A 107 -17.808 8.391 2.868 1.00 0.00 C ATOM 1614 NE ARG A 107 -17.159 9.581 2.325 1.00 0.00 N ATOM 1615 CZ ARG A 107 -17.357 10.807 2.797 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -18.180 11.003 3.817 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -16.729 11.840 2.250 1.00 0.00 N ATOM 0 HA ARG A 107 -17.577 5.372 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.265 7.529 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -18.811 7.044 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.472 6.272 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.135 7.184 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.875 8.430 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.703 8.384 3.953 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.518 9.465 1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.663 10.212 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.330 11.945 4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.093 11.693 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.882 12.781 2.614 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.290 4.594 -0.182 1.00 0.00 N ATOM 1632 CA PHE A 108 -13.925 4.146 0.063 1.00 0.00 C ATOM 1633 C PHE A 108 -12.921 5.037 -0.664 1.00 0.00 C ATOM 1634 O PHE A 108 -13.197 5.540 -1.752 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.754 2.694 -0.388 1.00 0.00 C ATOM 1636 CG PHE A 108 -14.912 1.811 -0.019 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.480 1.883 1.242 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.431 0.909 -0.934 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.546 1.073 1.585 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.497 0.097 -0.597 1.00 0.00 C ATOM 1641 CZ PHE A 108 -17.055 0.178 0.664 1.00 0.00 C ATOM 0 H PHE A 108 -15.562 4.601 -1.165 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.734 4.212 1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.620 2.671 -1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.844 2.289 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.085 2.580 1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.998 0.840 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.980 1.140 2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.894 -0.601 -1.319 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.887 -0.457 0.929 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.757 5.228 -0.052 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.713 6.060 -0.639 1.00 0.00 C ATOM 1653 C GLU A 109 -9.514 5.214 -1.057 1.00 0.00 C ATOM 1654 O GLU A 109 -9.080 4.327 -0.321 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.270 7.137 0.353 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.121 8.395 0.306 1.00 0.00 C ATOM 1657 CD GLU A 109 -10.488 9.556 1.048 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -9.253 9.539 1.234 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -11.228 10.481 1.443 1.00 0.00 O ATOM 0 H GLU A 109 -11.513 4.818 0.850 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.124 6.541 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.301 6.725 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.233 7.402 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.285 8.679 -0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.100 8.183 0.737 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.985 5.494 -2.243 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.836 4.758 -2.761 1.00 0.00 C ATOM 1668 C CYS A 110 -6.608 5.658 -2.846 1.00 0.00 C ATOM 1669 O CYS A 110 -6.540 6.556 -3.686 1.00 0.00 O ATOM 1670 CB CYS A 110 -8.156 4.179 -4.140 1.00 0.00 C ATOM 1671 SG CYS A 110 -6.913 3.021 -4.759 1.00 0.00 S ATOM 0 H CYS A 110 -9.333 6.225 -2.864 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.618 3.941 -2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -9.120 3.672 -4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.260 4.998 -4.851 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.272 2.583 -5.929 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.639 5.412 -1.970 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.412 6.201 -1.945 1.00 0.00 C ATOM 1679 C HIS A 111 -3.310 5.516 -2.748 1.00 0.00 C ATOM 1680 O HIS A 111 -3.167 4.294 -2.709 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.950 6.418 -0.504 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.997 7.029 0.375 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.346 8.362 0.315 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.774 6.481 1.339 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -6.292 8.608 1.205 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.569 7.483 1.839 1.00 0.00 N ATOM 0 H HIS A 111 -5.679 4.673 -1.268 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.621 7.169 -2.401 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.645 5.461 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -3.069 7.060 -0.506 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.769 5.448 1.656 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.759 9.566 1.383 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.261 7.376 2.580 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.533 6.312 -3.476 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.444 5.783 -4.287 1.00 0.00 C ATOM 1696 C VAL A 112 -0.101 6.353 -3.843 1.00 0.00 C ATOM 1697 O VAL A 112 -0.019 7.492 -3.383 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.653 6.097 -5.781 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.710 5.267 -6.638 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.101 5.853 -6.178 1.00 0.00 C ATOM 0 H VAL A 112 -2.638 7.326 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.441 4.702 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.426 7.150 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.872 5.502 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.322 5.495 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.903 4.207 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.231 6.080 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.357 4.809 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.754 6.495 -5.586 1.00 0.00 H new ATOM 1710 N PHE A 113 0.951 5.553 -3.985 1.00 0.00 N ATOM 1711 CA PHE A 113 2.291 5.977 -3.598 1.00 0.00 C ATOM 1712 C PHE A 113 3.349 5.276 -4.446 1.00 0.00 C ATOM 1713 O PHE A 113 3.343 4.053 -4.578 1.00 0.00 O ATOM 1714 CB PHE A 113 2.534 5.685 -2.116 1.00 0.00 C ATOM 1715 CG PHE A 113 1.495 6.281 -1.210 1.00 0.00 C ATOM 1716 CD1 PHE A 113 1.653 7.560 -0.701 1.00 0.00 C ATOM 1717 CD2 PHE A 113 0.361 5.564 -0.867 1.00 0.00 C ATOM 1718 CE1 PHE A 113 0.699 8.111 0.134 1.00 0.00 C ATOM 1719 CE2 PHE A 113 -0.597 6.109 -0.033 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.428 7.385 0.467 1.00 0.00 C ATOM 0 H PHE A 113 0.901 4.608 -4.365 1.00 0.00 H new ATOM 0 HA PHE A 113 2.368 7.051 -3.767 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.560 4.606 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.514 6.069 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 113 2.531 8.133 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.223 4.566 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.835 9.108 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.476 5.538 0.227 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.176 7.815 1.117 1.00 0.00 H new ATOM 1730 N TRP A 114 4.255 6.061 -5.018 1.00 0.00 N ATOM 1731 CA TRP A 114 5.319 5.517 -5.854 1.00 0.00 C ATOM 1732 C TRP A 114 6.452 4.961 -4.999 1.00 0.00 C ATOM 1733 O TRP A 114 7.076 5.690 -4.228 1.00 0.00 O ATOM 1734 CB TRP A 114 5.857 6.595 -6.796 1.00 0.00 C ATOM 1735 CG TRP A 114 6.844 6.072 -7.795 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.194 5.950 -7.628 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.558 5.601 -9.117 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.764 5.433 -8.766 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.782 5.209 -9.694 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.387 5.471 -9.869 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.866 4.698 -10.986 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.472 4.963 -11.151 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.704 4.581 -11.699 1.00 0.00 C ATOM 0 H TRP A 114 4.274 7.076 -4.918 1.00 0.00 H new ATOM 0 HA TRP A 114 4.902 4.702 -6.446 1.00 0.00 H new ATOM 0 HB2 TRP A 114 5.022 7.053 -7.326 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.330 7.380 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.734 6.220 -6.733 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.758 5.246 -8.898 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.433 5.762 -9.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.815 4.404 -11.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.573 4.858 -11.741 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.737 4.187 -12.704 1.00 0.00 H new ATOM 1754 N CYS A 115 6.713 3.666 -5.140 1.00 0.00 N ATOM 1755 CA CYS A 115 7.771 3.012 -4.379 1.00 0.00 C ATOM 1756 C CYS A 115 9.082 3.014 -5.159 1.00 0.00 C ATOM 1757 O CYS A 115 9.100 3.281 -6.360 1.00 0.00 O ATOM 1758 CB CYS A 115 7.370 1.576 -4.038 1.00 0.00 C ATOM 1759 SG CYS A 115 5.686 1.412 -3.400 1.00 0.00 S ATOM 0 H CYS A 115 6.206 3.048 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 115 7.918 3.570 -3.454 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.470 0.960 -4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.067 1.181 -3.299 1.00 0.00 H new ATOM 0 HG CYS A 115 5.573 0.287 -2.759 1.00 0.00 H new ATOM 1765 N GLU A 116 10.177 2.717 -4.466 1.00 0.00 N ATOM 1766 CA GLU A 116 11.493 2.688 -5.093 1.00 0.00 C ATOM 1767 C GLU A 116 12.417 1.708 -4.376 1.00 0.00 C ATOM 1768 O GLU A 116 12.576 1.745 -3.156 1.00 0.00 O ATOM 1769 CB GLU A 116 12.115 4.086 -5.091 1.00 0.00 C ATOM 1770 CG GLU A 116 11.385 5.079 -5.980 1.00 0.00 C ATOM 1771 CD GLU A 116 12.289 6.190 -6.479 1.00 0.00 C ATOM 1772 OE1 GLU A 116 12.994 6.800 -5.648 1.00 0.00 O ATOM 1773 OE2 GLU A 116 12.290 6.449 -7.701 1.00 0.00 O ATOM 0 H GLU A 116 10.179 2.493 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 116 11.368 2.355 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.128 4.467 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.152 4.013 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.959 4.552 -6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.553 5.514 -5.426 1.00 0.00 H new ATOM 1780 N PRO A 117 13.040 0.808 -5.151 1.00 0.00 N ATOM 1781 CA PRO A 117 12.857 0.753 -6.605 1.00 0.00 C ATOM 1782 C PRO A 117 11.464 0.272 -6.997 1.00 0.00 C ATOM 1783 O PRO A 117 10.802 0.877 -7.838 1.00 0.00 O ATOM 1784 CB PRO A 117 13.918 -0.253 -7.058 1.00 0.00 C ATOM 1785 CG PRO A 117 14.155 -1.116 -5.867 1.00 0.00 C ATOM 1786 CD PRO A 117 13.970 -0.227 -4.668 1.00 0.00 C ATOM 0 HA PRO A 117 12.957 1.736 -7.066 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.570 -0.839 -7.909 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.833 0.250 -7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.455 -1.951 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.159 -1.541 -5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.557 -0.775 -3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.915 0.204 -4.338 1.00 0.00 H new ATOM 1794 N ASN A 118 11.026 -0.821 -6.380 1.00 0.00 N ATOM 1795 CA ASN A 118 9.711 -1.384 -6.665 1.00 0.00 C ATOM 1796 C ASN A 118 8.845 -1.407 -5.409 1.00 0.00 C ATOM 1797 O ASN A 118 9.280 -0.990 -4.336 1.00 0.00 O ATOM 1798 CB ASN A 118 9.850 -2.800 -7.228 1.00 0.00 C ATOM 1799 CG ASN A 118 11.012 -3.555 -6.612 1.00 0.00 C ATOM 1800 OD1 ASN A 118 11.950 -3.947 -7.306 1.00 0.00 O ATOM 1801 ND2 ASN A 118 10.953 -3.764 -5.302 1.00 0.00 N ATOM 0 H ASN A 118 11.562 -1.334 -5.680 1.00 0.00 H new ATOM 0 HA ASN A 118 9.226 -0.751 -7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.927 -3.351 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.986 -2.747 -8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.705 -4.268 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 118 10.156 -3.421 -4.766 1.00 0.00 H new ATOM 1808 N ALA A 119 7.618 -1.897 -5.551 1.00 0.00 N ATOM 1809 CA ALA A 119 6.693 -1.977 -4.428 1.00 0.00 C ATOM 1810 C ALA A 119 6.636 -3.393 -3.863 1.00 0.00 C ATOM 1811 O ALA A 119 5.557 -3.930 -3.618 1.00 0.00 O ATOM 1812 CB ALA A 119 5.305 -1.522 -4.855 1.00 0.00 C ATOM 0 H ALA A 119 7.242 -2.245 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 119 7.056 -1.314 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.624 -1.587 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.352 -0.491 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.944 -2.162 -5.660 1.00 0.00 H new ATOM 1818 N ALA A 120 7.806 -3.991 -3.660 1.00 0.00 N ATOM 1819 CA ALA A 120 7.889 -5.343 -3.123 1.00 0.00 C ATOM 1820 C ALA A 120 7.818 -5.334 -1.600 1.00 0.00 C ATOM 1821 O ALA A 120 6.897 -5.895 -1.008 1.00 0.00 O ATOM 1822 CB ALA A 120 9.170 -6.019 -3.590 1.00 0.00 C ATOM 0 H ALA A 120 8.709 -3.560 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 120 7.036 -5.909 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.219 -7.028 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.180 -6.068 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.031 -5.446 -3.245 1.00 0.00 H new ATOM 1828 N ASN A 121 8.798 -4.693 -0.970 1.00 0.00 N ATOM 1829 CA ASN A 121 8.847 -4.613 0.485 1.00 0.00 C ATOM 1830 C ASN A 121 7.591 -3.945 1.035 1.00 0.00 C ATOM 1831 O ASN A 121 6.927 -4.482 1.922 1.00 0.00 O ATOM 1832 CB ASN A 121 10.088 -3.837 0.932 1.00 0.00 C ATOM 1833 CG ASN A 121 11.319 -4.202 0.125 1.00 0.00 C ATOM 1834 OD1 ASN A 121 11.575 -3.626 -0.933 1.00 0.00 O ATOM 1835 ND2 ASN A 121 12.089 -5.163 0.622 1.00 0.00 N ATOM 0 H ASN A 121 9.568 -4.222 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 121 8.900 -5.628 0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 121 9.898 -2.768 0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.277 -4.035 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.931 -5.451 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.838 -5.613 1.502 1.00 0.00 H new ATOM 1842 N VAL A 122 7.270 -2.770 0.503 1.00 0.00 N ATOM 1843 CA VAL A 122 6.092 -2.029 0.939 1.00 0.00 C ATOM 1844 C VAL A 122 4.850 -2.913 0.924 1.00 0.00 C ATOM 1845 O VAL A 122 4.130 -3.006 1.918 1.00 0.00 O ATOM 1846 CB VAL A 122 5.843 -0.797 0.049 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.527 -0.129 0.418 1.00 0.00 C ATOM 1848 CG2 VAL A 122 6.999 0.184 0.162 1.00 0.00 C ATOM 0 H VAL A 122 7.809 -2.311 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 122 6.286 -1.698 1.959 1.00 0.00 H new ATOM 0 HB VAL A 122 5.777 -1.127 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.368 0.739 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.709 -0.836 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.560 0.189 1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.806 1.048 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.100 0.510 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.921 -0.302 -0.157 1.00 0.00 H new ATOM 1858 N SER A 123 4.605 -3.561 -0.210 1.00 0.00 N ATOM 1859 CA SER A 123 3.448 -4.436 -0.356 1.00 0.00 C ATOM 1860 C SER A 123 3.560 -5.644 0.569 1.00 0.00 C ATOM 1861 O SER A 123 2.556 -6.153 1.067 1.00 0.00 O ATOM 1862 CB SER A 123 3.313 -4.902 -1.807 1.00 0.00 C ATOM 1863 OG SER A 123 2.692 -3.909 -2.605 1.00 0.00 O ATOM 0 H SER A 123 5.192 -3.497 -1.041 1.00 0.00 H new ATOM 0 HA SER A 123 2.559 -3.869 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.298 -5.134 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.728 -5.821 -1.844 1.00 0.00 H new ATOM 0 HG SER A 123 3.356 -3.510 -3.206 1.00 0.00 H new ATOM 1869 N GLU A 124 4.789 -6.097 0.795 1.00 0.00 N ATOM 1870 CA GLU A 124 5.033 -7.246 1.659 1.00 0.00 C ATOM 1871 C GLU A 124 4.716 -6.910 3.113 1.00 0.00 C ATOM 1872 O GLU A 124 4.171 -7.733 3.847 1.00 0.00 O ATOM 1873 CB GLU A 124 6.487 -7.706 1.536 1.00 0.00 C ATOM 1874 CG GLU A 124 6.858 -8.819 2.502 1.00 0.00 C ATOM 1875 CD GLU A 124 8.226 -9.407 2.217 1.00 0.00 C ATOM 1876 OE1 GLU A 124 8.638 -9.409 1.038 1.00 0.00 O ATOM 1877 OE2 GLU A 124 8.885 -9.865 3.174 1.00 0.00 O ATOM 0 H GLU A 124 5.631 -5.686 0.392 1.00 0.00 H new ATOM 0 HA GLU A 124 4.376 -8.054 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.666 -8.047 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.144 -6.854 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.838 -8.432 3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.109 -9.608 2.446 1.00 0.00 H new ATOM 1884 N ALA A 125 5.062 -5.693 3.522 1.00 0.00 N ATOM 1885 CA ALA A 125 4.814 -5.247 4.887 1.00 0.00 C ATOM 1886 C ALA A 125 3.319 -5.105 5.155 1.00 0.00 C ATOM 1887 O ALA A 125 2.817 -5.559 6.184 1.00 0.00 O ATOM 1888 CB ALA A 125 5.526 -3.928 5.148 1.00 0.00 C ATOM 0 H ALA A 125 5.515 -4.999 2.927 1.00 0.00 H new ATOM 0 HA ALA A 125 5.209 -6.002 5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.332 -3.606 6.171 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.599 -4.059 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.158 -3.172 4.454 1.00 0.00 H new ATOM 1894 N VAL A 126 2.613 -4.473 4.224 1.00 0.00 N ATOM 1895 CA VAL A 126 1.175 -4.272 4.359 1.00 0.00 C ATOM 1896 C VAL A 126 0.419 -5.587 4.201 1.00 0.00 C ATOM 1897 O VAL A 126 -0.524 -5.864 4.941 1.00 0.00 O ATOM 1898 CB VAL A 126 0.649 -3.262 3.323 1.00 0.00 C ATOM 1899 CG1 VAL A 126 0.945 -3.743 1.910 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.842 -3.030 3.514 1.00 0.00 C ATOM 0 H VAL A 126 3.013 -4.091 3.367 1.00 0.00 H new ATOM 0 HA VAL A 126 1.004 -3.876 5.360 1.00 0.00 H new ATOM 0 HB VAL A 126 1.163 -2.313 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.566 -3.016 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.022 -3.853 1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.460 -4.705 1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.197 -2.313 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.376 -3.973 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.024 -2.638 4.514 1.00 0.00 H new ATOM 1910 N GLN A 127 0.841 -6.392 3.231 1.00 0.00 N ATOM 1911 CA GLN A 127 0.203 -7.678 2.975 1.00 0.00 C ATOM 1912 C GLN A 127 0.162 -8.527 4.242 1.00 0.00 C ATOM 1913 O GLN A 127 -0.888 -9.043 4.621 1.00 0.00 O ATOM 1914 CB GLN A 127 0.945 -8.428 1.868 1.00 0.00 C ATOM 1915 CG GLN A 127 0.481 -9.864 1.690 1.00 0.00 C ATOM 1916 CD GLN A 127 0.733 -10.390 0.290 1.00 0.00 C ATOM 1917 OE1 GLN A 127 1.662 -11.166 0.064 1.00 0.00 O ATOM 1918 NE2 GLN A 127 -0.095 -9.968 -0.659 1.00 0.00 N ATOM 0 H GLN A 127 1.621 -6.177 2.610 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.821 -7.489 2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.814 -7.893 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 127 2.012 -8.425 2.090 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.995 -10.500 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.584 -9.928 1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -0.852 -9.325 -0.427 1.00 0.00 H new ATOM 0 HE22 GLN A 127 0.026 -10.287 -1.620 1.00 0.00 H new ATOM 1927 N ALA A 128 1.313 -8.667 4.891 1.00 0.00 N ATOM 1928 CA ALA A 128 1.409 -9.451 6.116 1.00 0.00 C ATOM 1929 C ALA A 128 0.629 -8.796 7.250 1.00 0.00 C ATOM 1930 O ALA A 128 -0.047 -9.473 8.024 1.00 0.00 O ATOM 1931 CB ALA A 128 2.866 -9.636 6.512 1.00 0.00 C ATOM 0 H ALA A 128 2.192 -8.248 4.589 1.00 0.00 H new ATOM 0 HA ALA A 128 0.969 -10.430 5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.922 -10.223 7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.397 -10.156 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.325 -8.661 6.677 1.00 0.00 H new ATOM 1937 N ALA A 129 0.728 -7.474 7.344 1.00 0.00 N ATOM 1938 CA ALA A 129 0.030 -6.727 8.383 1.00 0.00 C ATOM 1939 C ALA A 129 -1.375 -7.277 8.605 1.00 0.00 C ATOM 1940 O ALA A 129 -1.863 -7.322 9.735 1.00 0.00 O ATOM 1941 CB ALA A 129 -0.030 -5.250 8.021 1.00 0.00 C ATOM 0 H ALA A 129 1.285 -6.898 6.713 1.00 0.00 H new ATOM 0 HA ALA A 129 0.587 -6.840 9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.554 -4.704 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.982 -4.859 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.561 -5.128 7.077 1.00 0.00 H new ATOM 1947 N CYS A 130 -2.020 -7.693 7.521 1.00 0.00 N ATOM 1948 CA CYS A 130 -3.371 -8.239 7.598 1.00 0.00 C ATOM 1949 C CYS A 130 -3.461 -9.316 8.674 1.00 0.00 C ATOM 1950 O CYS A 130 -4.346 -9.281 9.529 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.788 -8.816 6.244 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.832 -7.601 4.906 1.00 0.00 S ATOM 0 H CYS A 130 -1.630 -7.663 6.579 1.00 0.00 H new ATOM 0 HA CYS A 130 -4.050 -7.429 7.863 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -3.097 -9.614 5.973 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.775 -9.268 6.342 1.00 0.00 H new ATOM 0 HG CYS A 130 -5.030 -7.105 4.809 1.00 0.00 H new ATOM 2337 N HIS A 163 5.905 -12.275 -6.378 1.00 0.00 N ATOM 2338 CA HIS A 163 4.871 -11.674 -5.542 1.00 0.00 C ATOM 2339 C HIS A 163 4.296 -10.426 -6.203 1.00 0.00 C ATOM 2340 O HIS A 163 3.087 -10.324 -6.416 1.00 0.00 O ATOM 2341 CB HIS A 163 5.439 -11.322 -4.167 1.00 0.00 C ATOM 2342 CG HIS A 163 4.703 -10.212 -3.482 1.00 0.00 C ATOM 2343 ND1 HIS A 163 3.586 -10.420 -2.700 1.00 0.00 N ATOM 2344 CD2 HIS A 163 4.930 -8.878 -3.463 1.00 0.00 C ATOM 2345 CE1 HIS A 163 3.158 -9.261 -2.231 1.00 0.00 C ATOM 2346 NE2 HIS A 163 3.956 -8.309 -2.680 1.00 0.00 N ATOM 0 HA HIS A 163 4.068 -12.401 -5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.413 -12.209 -3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.486 -11.039 -4.277 1.00 0.00 H new ATOM 0 HD1 HIS A 163 3.157 -11.326 -2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 163 5.729 -8.357 -3.970 1.00 0.00 H new ATOM 0 HE1 HIS A 163 2.301 -9.117 -1.590 1.00 0.00 H new ATOM 2354 N LEU A 164 5.168 -9.477 -6.526 1.00 0.00 N ATOM 2355 CA LEU A 164 4.747 -8.234 -7.162 1.00 0.00 C ATOM 2356 C LEU A 164 3.706 -8.502 -8.245 1.00 0.00 C ATOM 2357 O LEU A 164 2.624 -7.915 -8.239 1.00 0.00 O ATOM 2358 CB LEU A 164 5.953 -7.512 -7.765 1.00 0.00 C ATOM 2359 CG LEU A 164 6.812 -6.709 -6.788 1.00 0.00 C ATOM 2360 CD1 LEU A 164 8.125 -6.303 -7.441 1.00 0.00 C ATOM 2361 CD2 LEU A 164 6.056 -5.482 -6.299 1.00 0.00 C ATOM 0 H LEU A 164 6.172 -9.545 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 164 4.296 -7.599 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.588 -8.252 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.596 -6.837 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 164 7.037 -7.340 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.723 -5.732 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.673 -7.196 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.921 -5.690 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.682 -4.922 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.801 -4.849 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.143 -5.795 -5.793 1.00 0.00 H new ATOM 2373 N SER A 165 4.041 -9.394 -9.172 1.00 0.00 N ATOM 2374 CA SER A 165 3.136 -9.739 -10.262 1.00 0.00 C ATOM 2375 C SER A 165 1.778 -10.178 -9.723 1.00 0.00 C ATOM 2376 O SER A 165 0.734 -9.744 -10.210 1.00 0.00 O ATOM 2377 CB SER A 165 3.740 -10.852 -11.121 1.00 0.00 C ATOM 2378 OG SER A 165 3.943 -12.030 -10.361 1.00 0.00 O ATOM 0 H SER A 165 4.932 -9.890 -9.190 1.00 0.00 H new ATOM 0 HA SER A 165 2.993 -8.851 -10.877 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.079 -11.067 -11.961 1.00 0.00 H new ATOM 0 HB3 SER A 165 4.689 -10.518 -11.540 1.00 0.00 H new ATOM 0 HG SER A 165 4.328 -12.726 -10.933 1.00 0.00 H new ATOM 2384 N LYS A 166 1.801 -11.042 -8.714 1.00 0.00 N ATOM 2385 CA LYS A 166 0.573 -11.541 -8.106 1.00 0.00 C ATOM 2386 C LYS A 166 -0.291 -10.390 -7.602 1.00 0.00 C ATOM 2387 O LYS A 166 -1.519 -10.471 -7.616 1.00 0.00 O ATOM 2388 CB LYS A 166 0.900 -12.490 -6.951 1.00 0.00 C ATOM 2389 CG LYS A 166 1.496 -13.813 -7.401 1.00 0.00 C ATOM 2390 CD LYS A 166 2.055 -14.601 -6.228 1.00 0.00 C ATOM 2391 CE LYS A 166 0.987 -15.468 -5.580 1.00 0.00 C ATOM 2392 NZ LYS A 166 0.852 -16.785 -6.263 1.00 0.00 N ATOM 0 H LYS A 166 2.657 -11.411 -8.300 1.00 0.00 H new ATOM 0 HA LYS A 166 0.015 -12.085 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.598 -11.998 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -0.010 -12.685 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 166 0.732 -14.404 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.288 -13.628 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 166 2.878 -15.229 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 166 2.465 -13.913 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 166 1.236 -15.627 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 166 0.031 -14.946 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 0.114 -17.346 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 0.590 -16.635 -7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 1.757 -17.295 -6.217 1.00 0.00 H new ATOM 2406 N MET A 167 0.358 -9.318 -7.159 1.00 0.00 N ATOM 2407 CA MET A 167 -0.352 -8.149 -6.654 1.00 0.00 C ATOM 2408 C MET A 167 -1.042 -7.399 -7.789 1.00 0.00 C ATOM 2409 O MET A 167 -2.248 -7.159 -7.743 1.00 0.00 O ATOM 2410 CB MET A 167 0.614 -7.215 -5.923 1.00 0.00 C ATOM 2411 CG MET A 167 1.376 -7.891 -4.794 1.00 0.00 C ATOM 2412 SD MET A 167 0.285 -8.670 -3.589 1.00 0.00 S ATOM 2413 CE MET A 167 -0.263 -7.243 -2.656 1.00 0.00 C ATOM 0 H MET A 167 1.374 -9.235 -7.140 1.00 0.00 H new ATOM 0 HA MET A 167 -1.113 -8.492 -5.954 1.00 0.00 H new ATOM 0 HB2 MET A 167 1.328 -6.810 -6.640 1.00 0.00 H new ATOM 0 HB3 MET A 167 0.055 -6.371 -5.519 1.00 0.00 H new ATOM 0 HG2 MET A 167 2.045 -8.643 -5.212 1.00 0.00 H new ATOM 0 HG3 MET A 167 2.000 -7.154 -4.290 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.037 -7.390 -1.600 1.00 0.00 H new ATOM 0 HE2 MET A 167 0.252 -6.353 -3.017 1.00 0.00 H new ATOM 0 HE3 MET A 167 -1.338 -7.116 -2.783 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.268 -7.032 -8.805 1.00 0.00 N ATOM 2424 CA GLN A 168 -0.806 -6.308 -9.951 1.00 0.00 C ATOM 2425 C GLN A 168 -1.735 -7.198 -10.770 1.00 0.00 C ATOM 2426 O GLN A 168 -2.546 -6.708 -11.555 1.00 0.00 O ATOM 2427 CB GLN A 168 0.331 -5.789 -10.833 1.00 0.00 C ATOM 2428 CG GLN A 168 1.175 -6.892 -11.449 1.00 0.00 C ATOM 2429 CD GLN A 168 2.458 -6.371 -12.065 1.00 0.00 C ATOM 2430 OE1 GLN A 168 3.544 -6.884 -11.795 1.00 0.00 O ATOM 2431 NE2 GLN A 168 2.340 -5.344 -12.899 1.00 0.00 N ATOM 0 H GLN A 168 0.732 -7.224 -8.858 1.00 0.00 H new ATOM 0 HA GLN A 168 -1.381 -5.461 -9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -0.090 -5.176 -11.631 1.00 0.00 H new ATOM 0 HB3 GLN A 168 0.974 -5.140 -10.238 1.00 0.00 H new ATOM 0 HG2 GLN A 168 1.417 -7.629 -10.683 1.00 0.00 H new ATOM 0 HG3 GLN A 168 0.592 -7.406 -12.213 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.420 -4.949 -13.095 1.00 0.00 H new ATOM 0 HE22 GLN A 168 3.169 -4.950 -13.344 1.00 0.00 H new ATOM 2440 N GLN A 169 -1.609 -8.508 -10.582 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.437 -9.466 -11.305 1.00 0.00 C ATOM 2442 C GLN A 169 -3.826 -9.565 -10.682 1.00 0.00 C ATOM 2443 O GLN A 169 -4.812 -9.119 -11.267 1.00 0.00 O ATOM 2444 CB GLN A 169 -1.770 -10.843 -11.314 1.00 0.00 C ATOM 2445 CG GLN A 169 -0.776 -11.030 -12.448 1.00 0.00 C ATOM 2446 CD GLN A 169 -0.535 -12.489 -12.780 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -0.967 -13.383 -12.050 1.00 0.00 O ATOM 2448 NE2 GLN A 169 0.157 -12.739 -13.885 1.00 0.00 N ATOM 0 H GLN A 169 -0.942 -8.930 -9.936 1.00 0.00 H new ATOM 0 HA GLN A 169 -2.544 -9.114 -12.331 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.258 -10.995 -10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -2.541 -11.610 -11.387 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.143 -10.515 -13.336 1.00 0.00 H new ATOM 0 HG3 GLN A 169 0.170 -10.562 -12.177 1.00 0.00 H new ATOM 0 HE21 GLN A 169 0.496 -11.968 -14.460 1.00 0.00 H new ATOM 0 HE22 GLN A 169 0.350 -13.702 -14.159 1.00 0.00 H new ATOM 2457 N ASN A 170 -3.895 -10.153 -9.492 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.163 -10.311 -8.790 1.00 0.00 C ATOM 2459 C ASN A 170 -5.224 -9.404 -7.565 1.00 0.00 C ATOM 2460 O ASN A 170 -6.293 -8.936 -7.177 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.359 -11.769 -8.370 1.00 0.00 C ATOM 2462 CG ASN A 170 -4.074 -12.407 -7.880 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -3.673 -12.218 -6.731 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.421 -13.168 -8.751 1.00 0.00 N ATOM 0 H ASN A 170 -3.088 -10.528 -8.994 1.00 0.00 H new ATOM 0 HA ASN A 170 -5.965 -10.025 -9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.110 -11.819 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.745 -12.339 -9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.550 -13.624 -8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.790 -13.297 -9.693 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.066 -9.160 -6.958 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.008 -8.310 -5.783 1.00 0.00 C ATOM 2473 C GLY A 171 -4.306 -9.068 -4.504 1.00 0.00 C ATOM 2474 O GLY A 171 -4.323 -10.299 -4.494 1.00 0.00 O ATOM 0 H GLY A 171 -3.167 -9.536 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.018 -7.860 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -4.722 -7.494 -5.893 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.538 -8.332 -3.423 1.00 0.00 N ATOM 2479 CA TYR A 172 -4.832 -8.943 -2.132 1.00 0.00 C ATOM 2480 C TYR A 172 -6.121 -8.378 -1.543 1.00 0.00 C ATOM 2481 O TYR A 172 -6.298 -7.163 -1.463 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.672 -8.715 -1.161 1.00 0.00 C ATOM 2483 CG TYR A 172 -3.708 -9.622 0.049 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -3.218 -10.920 -0.016 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.234 -9.180 1.257 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -3.250 -11.752 1.086 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -4.269 -10.004 2.365 1.00 0.00 C ATOM 2488 CZ TYR A 172 -3.775 -11.289 2.274 1.00 0.00 C ATOM 2489 OH TYR A 172 -3.809 -12.114 3.375 1.00 0.00 O ATOM 0 H TYR A 172 -4.528 -7.312 -3.415 1.00 0.00 H new ATOM 0 HA TYR A 172 -4.963 -10.014 -2.287 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -2.731 -8.866 -1.690 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.687 -7.677 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -2.805 -11.285 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.622 -8.175 1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -2.866 -12.759 1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -4.680 -9.645 3.297 1.00 0.00 H new ATOM 0 HH TYR A 172 -4.208 -11.635 4.131 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.016 -9.270 -1.131 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.289 -8.860 -0.549 1.00 0.00 C ATOM 2501 C GLU A 173 -8.292 -9.078 0.961 1.00 0.00 C ATOM 2502 O GLU A 173 -8.375 -10.210 1.436 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.441 -9.637 -1.189 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.526 -9.468 -2.697 1.00 0.00 C ATOM 2505 CD GLU A 173 -8.689 -10.487 -3.446 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -8.505 -11.606 -2.922 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -8.219 -10.166 -4.558 1.00 0.00 O ATOM 0 H GLU A 173 -6.884 -10.280 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.423 -7.796 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.327 -10.696 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.380 -9.311 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.566 -9.556 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -9.196 -8.464 -2.966 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.199 -7.985 1.711 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.190 -8.055 3.168 1.00 0.00 C ATOM 2516 C ASN A 174 -9.149 -9.131 3.667 1.00 0.00 C ATOM 2517 O ASN A 174 -10.348 -9.109 3.385 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.569 -6.700 3.767 1.00 0.00 C ATOM 2519 CG ASN A 174 -7.912 -6.458 5.112 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -6.852 -7.011 5.406 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -8.539 -5.627 5.937 1.00 0.00 N ATOM 0 H ASN A 174 -8.129 -7.040 1.334 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.181 -8.316 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.280 -5.907 3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.652 -6.646 3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -8.144 -5.425 6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -9.416 -5.191 5.652 1.00 0.00 H new