USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=29 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 127 GLN : amide:sc= -3.92! C(o=-5.9!,f=-7.6!) USER MOD Set 1.2: A 163 HIS : no HE2:sc= -1.98 K(o=-5.9,f=-6.6!) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 111 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.55) USER MOD Set 3.1: A 21 GLN : amide:sc= -0.169 K(o=0.032,f=-3.9!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 177:sc= 0.201 (180deg=-0.000424) USER MOD Set 4.1: A 34 MET CE :methyl 164:sc= -1.59 (180deg=-3.01!) USER MOD Set 4.2: A 38 ASN : amide:sc=-0.00684 K(o=-1.6,f=-5!) USER MOD Single : A 16 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.002) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 150:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.14! C(o=-2.1!,f=-3!) USER MOD Single : A 45 MET CE :methyl -177:sc= -3.14! (180deg=-3.17!) USER MOD Single : A 46 THR OG1 : rot -17:sc= 0.0714 USER MOD Single : A 47 SER OG : rot 77:sc= 0.133 USER MOD Single : A 48 SER OG : rot -114:sc= 0.992 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.584 K(o=-0.58,f=-1.1) USER MOD Single : A 58 MET CE :methyl 153:sc= -3.2 (180deg=-5.94!) USER MOD Single : A 59 ASN : amide:sc= -2.22 K(o=-2.2,f=-1.6) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 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= -0.742 K(o=-0.74,f=-5.9!) USER MOD Single : A 80 CYS SG : rot 161:sc= -0.194 USER MOD Single : A 86 SER OG : rot -104:sc= 0.527 USER MOD Single : A 88 MET CE :methyl 146:sc= -1.37 (180deg=-2.79!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-1.9) USER MOD Single : A 96 THR OG1 : rot -51:sc= 0.118 USER MOD Single : A 101 MET CE :methyl -165:sc= -0.937 (180deg=-1.67) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -150:sc= -0.573 USER MOD Single : A 115 CYS SG : rot 90:sc= -4.22! USER MOD Single : A 118 ASN : amide:sc= -1.55 K(o=-1.5,f=0.054) USER MOD Single : A 121 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 123 SER OG : rot -44:sc= 0.304 USER MOD Single : A 130 CYS SG : rot -169:sc= 0.0183 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 MET CE :methyl -157:sc= 0 (180deg=-0.0517) USER MOD Single : A 168 GLN : amide:sc= -0.495 X(o=-0.49,f=0) USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 170 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.012) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -1.84! C(o=-1.8!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.295 1.207 14.260 1.00 0.00 N ATOM 179 CA VAL A 15 6.861 1.137 12.870 1.00 0.00 C ATOM 180 C VAL A 15 8.017 1.428 11.919 1.00 0.00 C ATOM 181 O VAL A 15 8.961 2.134 12.272 1.00 0.00 O ATOM 182 CB VAL A 15 5.716 2.127 12.588 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.201 3.561 12.738 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.140 1.893 11.199 1.00 0.00 C ATOM 0 HA VAL A 15 6.502 0.122 12.701 1.00 0.00 H new ATOM 0 HB VAL A 15 4.925 1.958 13.318 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.378 4.246 12.535 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.562 3.719 13.754 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.011 3.747 12.032 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.332 2.601 11.016 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.922 2.034 10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.753 0.876 11.132 1.00 0.00 H new ATOM 194 N GLN A 16 7.934 0.881 10.710 1.00 0.00 N ATOM 195 CA GLN A 16 8.973 1.083 9.708 1.00 0.00 C ATOM 196 C GLN A 16 8.533 2.105 8.665 1.00 0.00 C ATOM 197 O GLN A 16 7.410 2.050 8.162 1.00 0.00 O ATOM 198 CB GLN A 16 9.319 -0.243 9.027 1.00 0.00 C ATOM 199 CG GLN A 16 9.638 -1.363 10.003 1.00 0.00 C ATOM 200 CD GLN A 16 9.681 -2.724 9.336 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.678 -3.441 9.425 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.596 -3.087 8.663 1.00 0.00 N ATOM 0 H GLN A 16 7.158 0.295 10.401 1.00 0.00 H new ATOM 0 HA GLN A 16 9.860 1.466 10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.483 -0.548 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.174 -0.091 8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.599 -1.164 10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.889 -1.374 10.795 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.792 -2.461 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.566 -3.992 8.193 1.00 0.00 H new ATOM 211 N LYS A 17 9.423 3.037 8.344 1.00 0.00 N ATOM 212 CA LYS A 17 9.128 4.072 7.360 1.00 0.00 C ATOM 213 C LYS A 17 9.821 3.776 6.035 1.00 0.00 C ATOM 214 O LYS A 17 10.954 3.294 6.009 1.00 0.00 O ATOM 215 CB LYS A 17 9.567 5.442 7.883 1.00 0.00 C ATOM 216 CG LYS A 17 11.059 5.693 7.753 1.00 0.00 C ATOM 217 CD LYS A 17 11.859 4.793 8.680 1.00 0.00 C ATOM 218 CE LYS A 17 13.213 5.400 9.014 1.00 0.00 C ATOM 219 NZ LYS A 17 14.127 4.407 9.643 1.00 0.00 N ATOM 0 H LYS A 17 10.356 3.097 8.751 1.00 0.00 H new ATOM 0 HA LYS A 17 8.051 4.082 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.028 6.219 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.282 5.530 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.369 5.522 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.275 6.737 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.298 4.625 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.001 3.820 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.671 5.789 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.076 6.245 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.039 4.860 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.702 4.054 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.279 3.612 8.989 1.00 0.00 H new ATOM 233 N PHE A 18 9.135 4.068 4.935 1.00 0.00 N ATOM 234 CA PHE A 18 9.686 3.834 3.605 1.00 0.00 C ATOM 235 C PHE A 18 9.724 5.127 2.796 1.00 0.00 C ATOM 236 O PHE A 18 8.958 6.056 3.054 1.00 0.00 O ATOM 237 CB PHE A 18 8.857 2.781 2.865 1.00 0.00 C ATOM 238 CG PHE A 18 8.923 1.418 3.492 1.00 0.00 C ATOM 239 CD1 PHE A 18 8.022 1.049 4.478 1.00 0.00 C ATOM 240 CD2 PHE A 18 9.886 0.504 3.094 1.00 0.00 C ATOM 241 CE1 PHE A 18 8.081 -0.204 5.057 1.00 0.00 C ATOM 242 CE2 PHE A 18 9.950 -0.752 3.669 1.00 0.00 C ATOM 243 CZ PHE A 18 9.046 -1.106 4.651 1.00 0.00 C ATOM 0 H PHE A 18 8.196 4.467 4.938 1.00 0.00 H new ATOM 0 HA PHE A 18 10.706 3.469 3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.817 3.107 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.204 2.715 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 18 7.265 1.749 4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.595 0.776 2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.374 -0.478 5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.706 -1.455 3.351 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.093 -2.087 5.101 1.00 0.00 H new ATOM 253 N ARG A 19 10.622 5.179 1.818 1.00 0.00 N ATOM 254 CA ARG A 19 10.762 6.359 0.972 1.00 0.00 C ATOM 255 C ARG A 19 9.904 6.233 -0.283 1.00 0.00 C ATOM 256 O ARG A 19 10.180 5.410 -1.157 1.00 0.00 O ATOM 257 CB ARG A 19 12.228 6.562 0.583 1.00 0.00 C ATOM 258 CG ARG A 19 12.544 7.974 0.119 1.00 0.00 C ATOM 259 CD ARG A 19 12.220 8.162 -1.355 1.00 0.00 C ATOM 260 NE ARG A 19 13.351 7.820 -2.213 1.00 0.00 N ATOM 261 CZ ARG A 19 14.476 8.526 -2.262 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.618 9.606 -1.506 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.461 8.151 -3.068 1.00 0.00 N ATOM 0 H ARG A 19 11.263 4.419 1.592 1.00 0.00 H new ATOM 0 HA ARG A 19 10.420 7.225 1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.859 6.320 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.485 5.861 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.974 8.689 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.599 8.187 0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.364 7.542 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.930 9.198 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 19 13.273 6.994 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.863 9.897 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.482 10.146 -1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.355 7.320 -3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.324 8.693 -3.105 1.00 0.00 H new ATOM 277 N VAL A 20 8.862 7.054 -0.366 1.00 0.00 N ATOM 278 CA VAL A 20 7.963 7.035 -1.514 1.00 0.00 C ATOM 279 C VAL A 20 7.410 8.426 -1.802 1.00 0.00 C ATOM 280 O VAL A 20 7.704 9.382 -1.084 1.00 0.00 O ATOM 281 CB VAL A 20 6.789 6.063 -1.293 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.304 4.662 -1.003 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.896 6.556 -0.165 1.00 0.00 C ATOM 0 H VAL A 20 8.619 7.741 0.348 1.00 0.00 H new ATOM 0 HA VAL A 20 8.549 6.696 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 20 6.195 6.024 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.461 3.989 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.899 4.311 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.922 4.680 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.071 5.858 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.477 6.625 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.499 7.539 -0.418 1.00 0.00 H new ATOM 293 N GLN A 21 6.607 8.532 -2.855 1.00 0.00 N ATOM 294 CA GLN A 21 6.012 9.807 -3.237 1.00 0.00 C ATOM 295 C GLN A 21 4.489 9.734 -3.188 1.00 0.00 C ATOM 296 O GLN A 21 3.905 8.656 -3.307 1.00 0.00 O ATOM 297 CB GLN A 21 6.470 10.207 -4.641 1.00 0.00 C ATOM 298 CG GLN A 21 7.823 10.899 -4.664 1.00 0.00 C ATOM 299 CD GLN A 21 8.441 10.927 -6.049 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.266 10.079 -6.390 1.00 0.00 O ATOM 301 NE2 GLN A 21 8.043 11.904 -6.855 1.00 0.00 N ATOM 0 H GLN A 21 6.353 7.750 -3.459 1.00 0.00 H new ATOM 0 HA GLN A 21 6.344 10.562 -2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.516 9.316 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.725 10.869 -5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.711 11.920 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.500 10.389 -3.979 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.357 12.585 -6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.423 11.973 -7.799 1.00 0.00 H new ATOM 310 N TYR A 22 3.852 10.886 -3.013 1.00 0.00 N ATOM 311 CA TYR A 22 2.397 10.952 -2.945 1.00 0.00 C ATOM 312 C TYR A 22 1.817 11.530 -4.232 1.00 0.00 C ATOM 313 O TYR A 22 2.074 12.684 -4.580 1.00 0.00 O ATOM 314 CB TYR A 22 1.959 11.800 -1.750 1.00 0.00 C ATOM 315 CG TYR A 22 0.460 11.851 -1.560 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.328 10.728 -1.783 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.170 13.023 -1.158 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.698 10.771 -1.613 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.539 13.075 -0.983 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.299 11.946 -1.212 1.00 0.00 C ATOM 321 OH TYR A 22 -3.663 11.993 -1.040 1.00 0.00 O ATOM 0 H TYR A 22 4.320 11.787 -2.916 1.00 0.00 H new ATOM 0 HA TYR A 22 2.019 9.937 -2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.418 11.402 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.335 12.815 -1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.139 9.806 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.422 13.909 -0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.295 9.889 -1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.012 13.994 -0.669 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.926 12.893 -0.755 1.00 0.00 H new ATOM 331 N LEU A 23 1.034 10.721 -4.936 1.00 0.00 N ATOM 332 CA LEU A 23 0.415 11.151 -6.186 1.00 0.00 C ATOM 333 C LEU A 23 -0.893 11.888 -5.921 1.00 0.00 C ATOM 334 O LEU A 23 -1.231 12.844 -6.617 1.00 0.00 O ATOM 335 CB LEU A 23 0.161 9.946 -7.093 1.00 0.00 C ATOM 336 CG LEU A 23 1.403 9.253 -7.653 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.949 8.245 -6.654 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.084 8.575 -8.978 1.00 0.00 C ATOM 0 H LEU A 23 0.812 9.763 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 23 1.101 11.836 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.419 9.212 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.458 10.271 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 23 2.168 10.009 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.833 7.762 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.217 8.757 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.189 7.492 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.980 8.087 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.302 7.831 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.742 9.321 -9.695 1.00 0.00 H new ATOM 350 N GLY A 24 -1.626 11.437 -4.907 1.00 0.00 N ATOM 351 CA GLY A 24 -2.888 12.066 -4.566 1.00 0.00 C ATOM 352 C GLY A 24 -3.937 11.063 -4.128 1.00 0.00 C ATOM 353 O GLY A 24 -3.629 9.893 -3.901 1.00 0.00 O ATOM 0 H GLY A 24 -1.368 10.647 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.726 12.789 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.258 12.621 -5.428 1.00 0.00 H new ATOM 357 N MET A 25 -5.178 11.522 -4.008 1.00 0.00 N ATOM 358 CA MET A 25 -6.276 10.655 -3.594 1.00 0.00 C ATOM 359 C MET A 25 -7.361 10.603 -4.665 1.00 0.00 C ATOM 360 O MET A 25 -7.703 11.622 -5.267 1.00 0.00 O ATOM 361 CB MET A 25 -6.870 11.145 -2.272 1.00 0.00 C ATOM 362 CG MET A 25 -7.989 10.262 -1.745 1.00 0.00 C ATOM 363 SD MET A 25 -9.165 11.169 -0.720 1.00 0.00 S ATOM 364 CE MET A 25 -10.363 11.679 -1.950 1.00 0.00 C ATOM 0 H MET A 25 -5.449 12.488 -4.191 1.00 0.00 H new ATOM 0 HA MET A 25 -5.880 9.649 -3.455 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.078 11.199 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.250 12.158 -2.407 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.517 9.811 -2.585 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.560 9.446 -1.164 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.156 12.252 -1.470 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.872 12.298 -2.701 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.791 10.798 -2.428 1.00 0.00 H new ATOM 374 N LEU A 26 -7.899 9.411 -4.897 1.00 0.00 N ATOM 375 CA LEU A 26 -8.946 9.226 -5.896 1.00 0.00 C ATOM 376 C LEU A 26 -10.007 8.250 -5.399 1.00 0.00 C ATOM 377 O LEU A 26 -9.733 7.079 -5.134 1.00 0.00 O ATOM 378 CB LEU A 26 -8.344 8.718 -7.207 1.00 0.00 C ATOM 379 CG LEU A 26 -9.164 8.984 -8.470 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.538 8.342 -8.359 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.290 10.480 -8.719 1.00 0.00 C ATOM 0 H LEU A 26 -7.628 8.558 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.421 10.192 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.362 9.174 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.188 7.643 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.645 8.538 -9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.107 8.542 -9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.427 7.265 -8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.066 8.758 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.877 10.650 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.786 10.950 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.298 10.913 -8.844 1.00 0.00 H new ATOM 393 N PRO A 27 -11.249 8.740 -5.269 1.00 0.00 N ATOM 394 CA PRO A 27 -12.377 7.926 -4.806 1.00 0.00 C ATOM 395 C PRO A 27 -12.793 6.875 -5.829 1.00 0.00 C ATOM 396 O PRO A 27 -12.665 7.084 -7.036 1.00 0.00 O ATOM 397 CB PRO A 27 -13.496 8.952 -4.607 1.00 0.00 C ATOM 398 CG PRO A 27 -13.150 10.072 -5.526 1.00 0.00 C ATOM 399 CD PRO A 27 -11.648 10.126 -5.566 1.00 0.00 C ATOM 0 HA PRO A 27 -12.131 7.363 -3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.470 8.527 -4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.544 9.290 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.561 9.901 -6.521 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.565 11.014 -5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.283 10.449 -6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.251 10.825 -4.830 1.00 0.00 H new ATOM 407 N VAL A 28 -13.292 5.744 -5.340 1.00 0.00 N ATOM 408 CA VAL A 28 -13.728 4.661 -6.212 1.00 0.00 C ATOM 409 C VAL A 28 -15.200 4.332 -5.987 1.00 0.00 C ATOM 410 O VAL A 28 -15.876 4.982 -5.189 1.00 0.00 O ATOM 411 CB VAL A 28 -12.890 3.388 -5.990 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.429 3.645 -6.328 1.00 0.00 C ATOM 413 CG2 VAL A 28 -13.035 2.899 -4.557 1.00 0.00 C ATOM 0 H VAL A 28 -13.404 5.554 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.588 5.005 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.261 2.609 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.852 2.735 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.345 3.946 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.042 4.439 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.436 1.999 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.691 3.674 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.082 2.674 -4.354 1.00 0.00 H new ATOM 423 N ASP A 29 -15.689 3.320 -6.694 1.00 0.00 N ATOM 424 CA ASP A 29 -17.082 2.903 -6.570 1.00 0.00 C ATOM 425 C ASP A 29 -17.177 1.491 -6.003 1.00 0.00 C ATOM 426 O ASP A 29 -18.002 1.216 -5.131 1.00 0.00 O ATOM 427 CB ASP A 29 -17.779 2.969 -7.930 1.00 0.00 C ATOM 428 CG ASP A 29 -17.952 4.391 -8.424 1.00 0.00 C ATOM 429 OD1 ASP A 29 -16.981 4.951 -8.976 1.00 0.00 O ATOM 430 OD2 ASP A 29 -19.059 4.945 -8.260 1.00 0.00 O ATOM 0 H ASP A 29 -15.142 2.773 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.581 3.586 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.200 2.402 -8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.756 2.491 -7.858 1.00 0.00 H new ATOM 435 N ARG A 30 -16.330 0.598 -6.504 1.00 0.00 N ATOM 436 CA ARG A 30 -16.320 -0.787 -6.049 1.00 0.00 C ATOM 437 C ARG A 30 -15.210 -1.016 -5.027 1.00 0.00 C ATOM 438 O ARG A 30 -14.107 -0.480 -5.142 1.00 0.00 O ATOM 439 CB ARG A 30 -16.140 -1.735 -7.235 1.00 0.00 C ATOM 440 CG ARG A 30 -17.451 -2.194 -7.852 1.00 0.00 C ATOM 441 CD ARG A 30 -17.327 -3.587 -8.452 1.00 0.00 C ATOM 442 NE ARG A 30 -17.650 -4.630 -7.483 1.00 0.00 N ATOM 443 CZ ARG A 30 -17.484 -5.927 -7.717 1.00 0.00 C ATOM 444 NH1 ARG A 30 -17.002 -6.338 -8.882 1.00 0.00 N ATOM 445 NH2 ARG A 30 -17.801 -6.817 -6.785 1.00 0.00 N ATOM 0 H ARG A 30 -15.641 0.809 -7.226 1.00 0.00 H new ATOM 0 HA ARG A 30 -17.278 -0.993 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.543 -1.238 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.576 -2.609 -6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.232 -2.192 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.757 -1.489 -8.625 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.992 -3.672 -9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.311 -3.735 -8.819 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.024 -4.347 -6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.758 -5.658 -9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.876 -7.335 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -18.173 -6.505 -5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.673 -7.813 -6.966 1.00 0.00 H new ATOM 459 N PRO A 31 -15.506 -1.831 -4.004 1.00 0.00 N ATOM 460 CA PRO A 31 -14.546 -2.150 -2.943 1.00 0.00 C ATOM 461 C PRO A 31 -13.403 -3.028 -3.440 1.00 0.00 C ATOM 462 O PRO A 31 -12.363 -3.137 -2.791 1.00 0.00 O ATOM 463 CB PRO A 31 -15.392 -2.904 -1.914 1.00 0.00 C ATOM 464 CG PRO A 31 -16.516 -3.485 -2.701 1.00 0.00 C ATOM 465 CD PRO A 31 -16.800 -2.504 -3.804 1.00 0.00 C ATOM 0 HA PRO A 31 -14.065 -1.256 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.812 -3.682 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.758 -2.235 -1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.246 -4.460 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.396 -3.633 -2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.136 -3.006 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.581 -1.798 -3.522 1.00 0.00 H new ATOM 473 N VAL A 32 -13.603 -3.654 -4.595 1.00 0.00 N ATOM 474 CA VAL A 32 -12.589 -4.522 -5.180 1.00 0.00 C ATOM 475 C VAL A 32 -12.572 -4.402 -6.700 1.00 0.00 C ATOM 476 O VAL A 32 -13.393 -3.698 -7.286 1.00 0.00 O ATOM 477 CB VAL A 32 -12.821 -5.996 -4.795 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.902 -6.147 -3.284 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.082 -6.527 -5.461 1.00 0.00 C ATOM 0 H VAL A 32 -14.459 -3.576 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.628 -4.197 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.975 -6.584 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.066 -7.195 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.969 -5.807 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.729 -5.548 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.231 -7.569 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.940 -5.937 -5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.979 -6.456 -6.544 1.00 0.00 H new ATOM 489 N GLY A 33 -11.630 -5.096 -7.333 1.00 0.00 N ATOM 490 CA GLY A 33 -11.524 -5.053 -8.780 1.00 0.00 C ATOM 491 C GLY A 33 -10.317 -4.266 -9.250 1.00 0.00 C ATOM 492 O GLY A 33 -10.298 -3.038 -9.165 1.00 0.00 O ATOM 0 H GLY A 33 -10.939 -5.687 -6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.464 -6.070 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.428 -4.607 -9.194 1.00 0.00 H new ATOM 496 N MET A 34 -9.307 -4.973 -9.745 1.00 0.00 N ATOM 497 CA MET A 34 -8.091 -4.331 -10.229 1.00 0.00 C ATOM 498 C MET A 34 -8.418 -3.243 -11.246 1.00 0.00 C ATOM 499 O MET A 34 -7.735 -2.221 -11.318 1.00 0.00 O ATOM 500 CB MET A 34 -7.157 -5.368 -10.858 1.00 0.00 C ATOM 501 CG MET A 34 -6.208 -6.014 -9.861 1.00 0.00 C ATOM 502 SD MET A 34 -4.658 -5.109 -9.691 1.00 0.00 S ATOM 503 CE MET A 34 -5.184 -3.724 -8.685 1.00 0.00 C ATOM 0 H MET A 34 -9.306 -5.990 -9.821 1.00 0.00 H new ATOM 0 HA MET A 34 -7.591 -3.870 -9.378 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.757 -6.145 -11.332 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.574 -4.890 -11.645 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.696 -6.076 -8.888 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.995 -7.035 -10.177 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.310 -3.232 -8.258 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.735 -3.014 -9.302 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.828 -4.082 -7.881 1.00 0.00 H new ATOM 513 N ASP A 35 -9.466 -3.468 -12.031 1.00 0.00 N ATOM 514 CA ASP A 35 -9.885 -2.506 -13.043 1.00 0.00 C ATOM 515 C ASP A 35 -10.328 -1.196 -12.398 1.00 0.00 C ATOM 516 O ASP A 35 -10.159 -0.120 -12.972 1.00 0.00 O ATOM 517 CB ASP A 35 -11.022 -3.083 -13.888 1.00 0.00 C ATOM 518 CG ASP A 35 -11.131 -2.416 -15.245 1.00 0.00 C ATOM 519 OD1 ASP A 35 -10.079 -2.166 -15.869 1.00 0.00 O ATOM 520 OD2 ASP A 35 -12.269 -2.144 -15.682 1.00 0.00 O ATOM 0 H ASP A 35 -10.041 -4.309 -11.986 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.031 -2.302 -13.689 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.863 -4.153 -14.024 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.964 -2.966 -13.352 1.00 0.00 H new ATOM 525 N THR A 36 -10.899 -1.296 -11.201 1.00 0.00 N ATOM 526 CA THR A 36 -11.369 -0.120 -10.479 1.00 0.00 C ATOM 527 C THR A 36 -10.215 0.600 -9.790 1.00 0.00 C ATOM 528 O THR A 36 -10.104 1.824 -9.859 1.00 0.00 O ATOM 529 CB THR A 36 -12.428 -0.495 -9.425 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.553 -1.113 -10.059 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.885 0.735 -8.656 1.00 0.00 C ATOM 0 H THR A 36 -11.047 -2.179 -10.712 1.00 0.00 H new ATOM 0 HA THR A 36 -11.820 0.545 -11.216 1.00 0.00 H new ATOM 0 HB THR A 36 -11.977 -1.196 -8.723 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.967 -1.751 -9.441 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.633 0.445 -7.918 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.031 1.186 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.319 1.456 -9.348 1.00 0.00 H new ATOM 539 N LEU A 37 -9.357 -0.167 -9.126 1.00 0.00 N ATOM 540 CA LEU A 37 -8.210 0.398 -8.424 1.00 0.00 C ATOM 541 C LEU A 37 -7.281 1.121 -9.394 1.00 0.00 C ATOM 542 O LEU A 37 -6.862 2.250 -9.142 1.00 0.00 O ATOM 543 CB LEU A 37 -7.443 -0.704 -7.691 1.00 0.00 C ATOM 544 CG LEU A 37 -6.347 -0.235 -6.733 1.00 0.00 C ATOM 545 CD1 LEU A 37 -6.153 -1.242 -5.610 1.00 0.00 C ATOM 546 CD2 LEU A 37 -5.042 -0.011 -7.483 1.00 0.00 C ATOM 0 H LEU A 37 -9.434 -1.182 -9.059 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.580 1.121 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.158 -1.304 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.991 -1.361 -8.434 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.657 0.713 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.369 -0.891 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.085 -1.352 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.866 -2.206 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.274 0.322 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.727 -0.943 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.189 0.749 -8.251 1.00 0.00 H new ATOM 558 N ASN A 38 -6.965 0.464 -10.505 1.00 0.00 N ATOM 559 CA ASN A 38 -6.087 1.045 -11.514 1.00 0.00 C ATOM 560 C ASN A 38 -6.687 2.327 -12.084 1.00 0.00 C ATOM 561 O ASN A 38 -5.967 3.269 -12.413 1.00 0.00 O ATOM 562 CB ASN A 38 -5.836 0.042 -12.641 1.00 0.00 C ATOM 563 CG ASN A 38 -4.683 -0.895 -12.335 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.541 -0.636 -12.716 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.978 -1.990 -11.644 1.00 0.00 N ATOM 0 H ASN A 38 -7.304 -0.471 -10.729 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.138 1.289 -11.036 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.740 -0.542 -12.812 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.627 0.582 -13.564 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.244 -2.658 -11.408 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.939 -2.163 -11.349 1.00 0.00 H new ATOM 572 N SER A 39 -8.012 2.355 -12.196 1.00 0.00 N ATOM 573 CA SER A 39 -8.709 3.520 -12.729 1.00 0.00 C ATOM 574 C SER A 39 -8.496 4.737 -11.834 1.00 0.00 C ATOM 575 O SER A 39 -8.723 5.873 -12.248 1.00 0.00 O ATOM 576 CB SER A 39 -10.204 3.228 -12.864 1.00 0.00 C ATOM 577 OG SER A 39 -10.820 4.127 -13.770 1.00 0.00 O ATOM 0 H SER A 39 -8.623 1.585 -11.925 1.00 0.00 H new ATOM 0 HA SER A 39 -8.298 3.739 -13.715 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.348 2.204 -13.209 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.682 3.306 -11.888 1.00 0.00 H new ATOM 0 HG SER A 39 -11.775 3.918 -13.840 1.00 0.00 H new ATOM 583 N ALA A 40 -8.058 4.489 -10.603 1.00 0.00 N ATOM 584 CA ALA A 40 -7.812 5.564 -9.650 1.00 0.00 C ATOM 585 C ALA A 40 -6.365 6.039 -9.719 1.00 0.00 C ATOM 586 O ALA A 40 -6.057 7.176 -9.360 1.00 0.00 O ATOM 587 CB ALA A 40 -8.152 5.105 -8.239 1.00 0.00 C ATOM 0 H ALA A 40 -7.867 3.554 -10.243 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.455 6.404 -9.913 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.964 5.917 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.203 4.821 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.533 4.247 -7.976 1.00 0.00 H new ATOM 593 N ILE A 41 -5.480 5.162 -10.182 1.00 0.00 N ATOM 594 CA ILE A 41 -4.066 5.493 -10.298 1.00 0.00 C ATOM 595 C ILE A 41 -3.825 6.486 -11.431 1.00 0.00 C ATOM 596 O ILE A 41 -3.283 7.569 -11.214 1.00 0.00 O ATOM 597 CB ILE A 41 -3.211 4.235 -10.543 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.615 3.122 -9.575 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.733 4.562 -10.395 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.843 1.837 -9.776 1.00 0.00 C ATOM 0 H ILE A 41 -5.718 4.217 -10.483 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.769 5.945 -9.352 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.386 3.887 -11.561 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.467 3.469 -8.552 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.680 2.919 -9.691 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.142 3.663 -10.571 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.455 5.327 -11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.541 4.931 -9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.182 1.093 -9.056 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.011 1.466 -10.787 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.779 2.025 -9.630 1.00 0.00 H new ATOM 612 N GLU A 42 -4.233 6.108 -12.638 1.00 0.00 N ATOM 613 CA GLU A 42 -4.062 6.966 -13.805 1.00 0.00 C ATOM 614 C GLU A 42 -4.722 8.324 -13.583 1.00 0.00 C ATOM 615 O GLU A 42 -4.134 9.366 -13.866 1.00 0.00 O ATOM 616 CB GLU A 42 -4.651 6.297 -15.048 1.00 0.00 C ATOM 617 CG GLU A 42 -3.686 5.352 -15.745 1.00 0.00 C ATOM 618 CD GLU A 42 -4.059 5.103 -17.194 1.00 0.00 C ATOM 619 OE1 GLU A 42 -5.120 4.493 -17.438 1.00 0.00 O ATOM 620 OE2 GLU A 42 -3.287 5.519 -18.084 1.00 0.00 O ATOM 0 H GLU A 42 -4.684 5.214 -12.834 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.994 7.121 -13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.546 5.744 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.963 7.068 -15.752 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.679 5.767 -15.699 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.664 4.402 -15.211 1.00 0.00 H new ATOM 627 N ASN A 43 -5.950 8.302 -13.074 1.00 0.00 N ATOM 628 CA ASN A 43 -6.692 9.530 -12.815 1.00 0.00 C ATOM 629 C ASN A 43 -5.782 10.600 -12.220 1.00 0.00 C ATOM 630 O ASN A 43 -5.814 11.759 -12.636 1.00 0.00 O ATOM 631 CB ASN A 43 -7.861 9.254 -11.867 1.00 0.00 C ATOM 632 CG ASN A 43 -9.086 8.734 -12.595 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.242 8.943 -13.798 1.00 0.00 O ATOM 634 ND2 ASN A 43 -9.962 8.052 -11.867 1.00 0.00 N ATOM 0 H ASN A 43 -6.452 7.447 -12.833 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.082 9.897 -13.765 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.552 8.527 -11.116 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.119 10.170 -11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.805 7.677 -12.302 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.792 7.903 -10.872 1.00 0.00 H new ATOM 641 N LEU A 44 -4.971 10.204 -11.245 1.00 0.00 N ATOM 642 CA LEU A 44 -4.051 11.129 -10.592 1.00 0.00 C ATOM 643 C LEU A 44 -2.800 11.339 -11.438 1.00 0.00 C ATOM 644 O LEU A 44 -2.474 12.466 -11.812 1.00 0.00 O ATOM 645 CB LEU A 44 -3.663 10.601 -9.210 1.00 0.00 C ATOM 646 CG LEU A 44 -4.821 10.276 -8.266 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.394 9.246 -7.232 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.325 11.541 -7.585 1.00 0.00 C ATOM 0 H LEU A 44 -4.932 9.249 -10.889 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.557 12.088 -10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.065 9.700 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.024 11.340 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.636 9.854 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.231 9.027 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.082 8.332 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.562 9.640 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.149 11.291 -6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.516 11.992 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.671 12.247 -8.340 1.00 0.00 H new ATOM 660 N MET A 45 -2.104 10.248 -11.739 1.00 0.00 N ATOM 661 CA MET A 45 -0.890 10.313 -12.545 1.00 0.00 C ATOM 662 C MET A 45 -1.048 11.314 -13.685 1.00 0.00 C ATOM 663 O MET A 45 -0.081 11.952 -14.103 1.00 0.00 O ATOM 664 CB MET A 45 -0.550 8.931 -13.107 1.00 0.00 C ATOM 665 CG MET A 45 -0.186 7.913 -12.038 1.00 0.00 C ATOM 666 SD MET A 45 0.812 6.557 -12.683 1.00 0.00 S ATOM 667 CE MET A 45 2.139 6.512 -11.481 1.00 0.00 C ATOM 0 H MET A 45 -2.360 9.308 -11.437 1.00 0.00 H new ATOM 0 HA MET A 45 -0.075 10.646 -11.903 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.402 8.559 -13.676 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.282 9.026 -13.805 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.360 8.412 -11.237 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.099 7.511 -11.599 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.869 5.757 -11.773 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.624 7.487 -11.437 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.733 6.264 -10.500 1.00 0.00 H new ATOM 677 N THR A 46 -2.272 11.448 -14.184 1.00 0.00 N ATOM 678 CA THR A 46 -2.556 12.370 -15.277 1.00 0.00 C ATOM 679 C THR A 46 -2.621 13.809 -14.779 1.00 0.00 C ATOM 680 O THR A 46 -2.088 14.720 -15.413 1.00 0.00 O ATOM 681 CB THR A 46 -3.883 12.021 -15.977 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.951 12.007 -15.023 1.00 0.00 O ATOM 683 CG2 THR A 46 -3.792 10.667 -16.663 1.00 0.00 C ATOM 0 H THR A 46 -3.084 10.929 -13.849 1.00 0.00 H new ATOM 0 HA THR A 46 -1.740 12.272 -15.993 1.00 0.00 H new ATOM 0 HB THR A 46 -4.081 12.781 -16.733 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.580 11.944 -14.118 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.741 10.442 -17.150 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.997 10.690 -17.409 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.573 9.898 -15.922 1.00 0.00 H new ATOM 691 N SER A 47 -3.276 14.007 -13.639 1.00 0.00 N ATOM 692 CA SER A 47 -3.412 15.337 -13.057 1.00 0.00 C ATOM 693 C SER A 47 -2.047 15.920 -12.706 1.00 0.00 C ATOM 694 O SER A 47 -1.676 16.993 -13.182 1.00 0.00 O ATOM 695 CB SER A 47 -4.292 15.282 -11.807 1.00 0.00 C ATOM 696 OG SER A 47 -5.617 14.897 -12.132 1.00 0.00 O ATOM 0 H SER A 47 -3.721 13.263 -13.101 1.00 0.00 H new ATOM 0 HA SER A 47 -3.884 15.983 -13.797 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.870 14.576 -11.092 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.302 16.258 -11.322 1.00 0.00 H new ATOM 0 HG SER A 47 -5.649 13.929 -12.283 1.00 0.00 H new ATOM 702 N SER A 48 -1.302 15.204 -11.870 1.00 0.00 N ATOM 703 CA SER A 48 0.021 15.650 -11.451 1.00 0.00 C ATOM 704 C SER A 48 1.112 14.825 -12.127 1.00 0.00 C ATOM 705 O SER A 48 0.870 13.706 -12.577 1.00 0.00 O ATOM 706 CB SER A 48 0.159 15.550 -9.930 1.00 0.00 C ATOM 707 OG SER A 48 -0.569 16.579 -9.283 1.00 0.00 O ATOM 0 H SER A 48 -1.593 14.312 -11.469 1.00 0.00 H new ATOM 0 HA SER A 48 0.138 16.691 -11.752 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.201 14.578 -9.592 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.211 15.615 -9.652 1.00 0.00 H new ATOM 0 HG SER A 48 0.053 17.180 -8.823 1.00 0.00 H new ATOM 713 N SER A 49 2.315 15.388 -12.194 1.00 0.00 N ATOM 714 CA SER A 49 3.443 14.707 -12.818 1.00 0.00 C ATOM 715 C SER A 49 4.293 13.993 -11.772 1.00 0.00 C ATOM 716 O SER A 49 4.023 14.075 -10.574 1.00 0.00 O ATOM 717 CB SER A 49 4.303 15.706 -13.595 1.00 0.00 C ATOM 718 OG SER A 49 3.704 16.037 -14.836 1.00 0.00 O ATOM 0 H SER A 49 2.533 16.313 -11.824 1.00 0.00 H new ATOM 0 HA SER A 49 3.048 13.963 -13.510 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.442 16.610 -13.002 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.293 15.283 -13.767 1.00 0.00 H new ATOM 0 HG SER A 49 4.272 16.678 -15.313 1.00 0.00 H new ATOM 724 N LYS A 50 5.323 13.291 -12.234 1.00 0.00 N ATOM 725 CA LYS A 50 6.215 12.562 -11.341 1.00 0.00 C ATOM 726 C LYS A 50 6.940 13.517 -10.398 1.00 0.00 C ATOM 727 O LYS A 50 7.121 13.220 -9.218 1.00 0.00 O ATOM 728 CB LYS A 50 7.233 11.756 -12.150 1.00 0.00 C ATOM 729 CG LYS A 50 8.298 11.090 -11.296 1.00 0.00 C ATOM 730 CD LYS A 50 7.868 9.703 -10.849 1.00 0.00 C ATOM 731 CE LYS A 50 9.063 8.852 -10.444 1.00 0.00 C ATOM 732 NZ LYS A 50 9.786 9.431 -9.278 1.00 0.00 N ATOM 0 H LYS A 50 5.560 13.212 -13.223 1.00 0.00 H new ATOM 0 HA LYS A 50 5.612 11.878 -10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.707 10.991 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.717 12.416 -12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.227 11.019 -11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.503 11.708 -10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.179 9.788 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.327 9.211 -11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.725 7.845 -10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.747 8.762 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.562 8.797 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.174 10.361 -9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.127 9.541 -8.481 1.00 0.00 H new ATOM 746 N GLU A 51 7.352 14.665 -10.927 1.00 0.00 N ATOM 747 CA GLU A 51 8.057 15.663 -10.132 1.00 0.00 C ATOM 748 C GLU A 51 7.088 16.422 -9.228 1.00 0.00 C ATOM 749 O GLU A 51 7.475 16.935 -8.178 1.00 0.00 O ATOM 750 CB GLU A 51 8.796 16.645 -11.043 1.00 0.00 C ATOM 751 CG GLU A 51 7.872 17.508 -11.886 1.00 0.00 C ATOM 752 CD GLU A 51 8.619 18.317 -12.928 1.00 0.00 C ATOM 753 OE1 GLU A 51 8.977 17.745 -13.979 1.00 0.00 O ATOM 754 OE2 GLU A 51 8.845 19.522 -12.693 1.00 0.00 O ATOM 0 H GLU A 51 7.210 14.927 -11.903 1.00 0.00 H new ATOM 0 HA GLU A 51 8.782 15.144 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.425 17.292 -10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.460 16.086 -11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.139 16.872 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.318 18.184 -11.235 1.00 0.00 H new ATOM 761 N ASP A 52 5.829 16.488 -9.645 1.00 0.00 N ATOM 762 CA ASP A 52 4.804 17.182 -8.874 1.00 0.00 C ATOM 763 C ASP A 52 4.478 16.421 -7.593 1.00 0.00 C ATOM 764 O ASP A 52 3.935 16.987 -6.644 1.00 0.00 O ATOM 765 CB ASP A 52 3.538 17.360 -9.713 1.00 0.00 C ATOM 766 CG ASP A 52 2.523 18.267 -9.045 1.00 0.00 C ATOM 767 OD1 ASP A 52 1.711 17.759 -8.243 1.00 0.00 O ATOM 768 OD2 ASP A 52 2.542 19.484 -9.323 1.00 0.00 O ATOM 0 H ASP A 52 5.493 16.070 -10.513 1.00 0.00 H new ATOM 0 HA ASP A 52 5.192 18.164 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.805 17.773 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.086 16.385 -9.894 1.00 0.00 H new ATOM 773 N TRP A 53 4.811 15.135 -7.575 1.00 0.00 N ATOM 774 CA TRP A 53 4.552 14.296 -6.410 1.00 0.00 C ATOM 775 C TRP A 53 5.598 14.530 -5.326 1.00 0.00 C ATOM 776 O TRP A 53 6.781 14.236 -5.499 1.00 0.00 O ATOM 777 CB TRP A 53 4.538 12.820 -6.813 1.00 0.00 C ATOM 778 CG TRP A 53 3.694 12.541 -8.019 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.603 13.248 -8.437 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.871 11.478 -8.962 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.091 12.689 -9.583 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.851 11.602 -9.926 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.792 10.435 -9.086 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.729 10.721 -10.997 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.670 9.562 -10.150 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.645 9.709 -11.094 1.00 0.00 C ATOM 0 H TRP A 53 5.260 14.651 -8.353 1.00 0.00 H new ATOM 0 HA TRP A 53 3.575 14.566 -6.009 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.560 12.495 -7.010 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.171 12.226 -5.976 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.202 14.119 -7.940 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.277 13.028 -10.095 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.585 10.313 -8.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.939 10.832 -11.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.377 8.752 -10.256 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.577 9.010 -11.914 1.00 0.00 H new ATOM 797 N PRO A 54 5.155 15.072 -4.182 1.00 0.00 N ATOM 798 CA PRO A 54 6.039 15.358 -3.048 1.00 0.00 C ATOM 799 C PRO A 54 6.537 14.087 -2.367 1.00 0.00 C ATOM 800 O PRO A 54 5.844 13.070 -2.347 1.00 0.00 O ATOM 801 CB PRO A 54 5.147 16.159 -2.096 1.00 0.00 C ATOM 802 CG PRO A 54 3.758 15.735 -2.432 1.00 0.00 C ATOM 803 CD PRO A 54 3.758 15.448 -3.908 1.00 0.00 C ATOM 0 HA PRO A 54 6.940 15.888 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.386 15.944 -1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.279 17.232 -2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.471 14.851 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.041 16.518 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.068 14.643 -4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.456 16.321 -4.487 1.00 0.00 H new ATOM 811 N SER A 55 7.742 14.153 -1.811 1.00 0.00 N ATOM 812 CA SER A 55 8.335 13.006 -1.132 1.00 0.00 C ATOM 813 C SER A 55 7.754 12.845 0.270 1.00 0.00 C ATOM 814 O SER A 55 7.737 13.790 1.059 1.00 0.00 O ATOM 815 CB SER A 55 9.854 13.163 -1.052 1.00 0.00 C ATOM 816 OG SER A 55 10.476 12.726 -2.248 1.00 0.00 O ATOM 0 H SER A 55 8.327 14.988 -1.817 1.00 0.00 H new ATOM 0 HA SER A 55 8.100 12.112 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.106 14.208 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.238 12.590 -0.208 1.00 0.00 H new ATOM 0 HG SER A 55 11.447 12.838 -2.172 1.00 0.00 H new ATOM 822 N VAL A 56 7.279 11.641 0.572 1.00 0.00 N ATOM 823 CA VAL A 56 6.699 11.354 1.878 1.00 0.00 C ATOM 824 C VAL A 56 7.199 10.020 2.421 1.00 0.00 C ATOM 825 O VAL A 56 7.605 9.142 1.661 1.00 0.00 O ATOM 826 CB VAL A 56 5.160 11.325 1.815 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.625 12.629 1.242 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.683 10.137 0.993 1.00 0.00 C ATOM 0 H VAL A 56 7.285 10.849 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 56 7.013 12.156 2.546 1.00 0.00 H new ATOM 0 HB VAL A 56 4.774 11.215 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.536 12.591 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.937 13.460 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.017 12.772 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.594 10.132 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.077 10.214 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.036 9.213 1.451 1.00 0.00 H new ATOM 838 N ASN A 57 7.166 9.875 3.742 1.00 0.00 N ATOM 839 CA ASN A 57 7.616 8.647 4.387 1.00 0.00 C ATOM 840 C ASN A 57 6.434 7.740 4.715 1.00 0.00 C ATOM 841 O ASN A 57 5.573 8.093 5.519 1.00 0.00 O ATOM 842 CB ASN A 57 8.393 8.973 5.665 1.00 0.00 C ATOM 843 CG ASN A 57 9.408 10.081 5.457 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.878 10.307 4.342 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.750 10.778 6.534 1.00 0.00 N ATOM 0 H ASN A 57 6.833 10.592 4.386 1.00 0.00 H new ATOM 0 HA ASN A 57 8.273 8.122 3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.693 9.267 6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.904 8.076 6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.428 11.536 6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.335 10.555 7.439 1.00 0.00 H new ATOM 852 N MET A 58 6.402 6.569 4.086 1.00 0.00 N ATOM 853 CA MET A 58 5.327 5.610 4.312 1.00 0.00 C ATOM 854 C MET A 58 5.610 4.757 5.545 1.00 0.00 C ATOM 855 O MET A 58 6.566 3.983 5.569 1.00 0.00 O ATOM 856 CB MET A 58 5.149 4.713 3.086 1.00 0.00 C ATOM 857 CG MET A 58 4.098 3.630 3.273 1.00 0.00 C ATOM 858 SD MET A 58 2.451 4.167 2.774 1.00 0.00 S ATOM 859 CE MET A 58 2.622 4.175 0.991 1.00 0.00 C ATOM 0 H MET A 58 7.108 6.262 3.417 1.00 0.00 H new ATOM 0 HA MET A 58 4.406 6.167 4.482 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.874 5.331 2.231 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.104 4.244 2.847 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.380 2.751 2.693 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.076 3.328 4.320 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.648 4.009 0.531 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.016 5.138 0.668 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.306 3.383 0.688 1.00 0.00 H new ATOM 869 N ASN A 59 4.773 4.905 6.566 1.00 0.00 N ATOM 870 CA ASN A 59 4.934 4.148 7.802 1.00 0.00 C ATOM 871 C ASN A 59 4.002 2.940 7.826 1.00 0.00 C ATOM 872 O ASN A 59 2.780 3.086 7.833 1.00 0.00 O ATOM 873 CB ASN A 59 4.659 5.042 9.013 1.00 0.00 C ATOM 874 CG ASN A 59 5.656 6.179 9.130 1.00 0.00 C ATOM 875 OD1 ASN A 59 6.437 6.239 10.080 1.00 0.00 O ATOM 876 ND2 ASN A 59 5.634 7.087 8.161 1.00 0.00 N ATOM 0 H ASN A 59 3.976 5.542 6.562 1.00 0.00 H new ATOM 0 HA ASN A 59 5.963 3.792 7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.652 5.452 8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.691 4.440 9.921 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.282 7.874 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.969 6.997 7.393 1.00 0.00 H new ATOM 883 N VAL A 60 4.588 1.747 7.840 1.00 0.00 N ATOM 884 CA VAL A 60 3.811 0.514 7.865 1.00 0.00 C ATOM 885 C VAL A 60 4.001 -0.229 9.183 1.00 0.00 C ATOM 886 O VAL A 60 5.003 -0.914 9.382 1.00 0.00 O ATOM 887 CB VAL A 60 4.200 -0.419 6.702 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.414 -1.719 6.774 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.980 0.274 5.367 1.00 0.00 C ATOM 0 H VAL A 60 5.599 1.609 7.834 1.00 0.00 H new ATOM 0 HA VAL A 60 2.764 0.798 7.759 1.00 0.00 H new ATOM 0 HB VAL A 60 5.260 -0.659 6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.702 -2.365 5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.628 -2.222 7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.347 -1.503 6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.260 -0.399 4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.929 0.545 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.593 1.174 5.319 1.00 0.00 H new ATOM 899 N ALA A 61 3.030 -0.088 10.080 1.00 0.00 N ATOM 900 CA ALA A 61 3.089 -0.747 11.379 1.00 0.00 C ATOM 901 C ALA A 61 2.669 -2.209 11.272 1.00 0.00 C ATOM 902 O ALA A 61 2.423 -2.715 10.177 1.00 0.00 O ATOM 903 CB ALA A 61 2.210 -0.015 12.382 1.00 0.00 C ATOM 0 H ALA A 61 2.194 0.476 9.931 1.00 0.00 H new ATOM 0 HA ALA A 61 4.121 -0.717 11.728 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.263 -0.518 13.348 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.557 1.013 12.488 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.179 -0.015 12.030 1.00 0.00 H new ATOM 909 N ASP A 62 2.589 -2.882 12.414 1.00 0.00 N ATOM 910 CA ASP A 62 2.198 -4.286 12.449 1.00 0.00 C ATOM 911 C ASP A 62 0.910 -4.511 11.663 1.00 0.00 C ATOM 912 O ASP A 62 0.893 -5.248 10.678 1.00 0.00 O ATOM 913 CB ASP A 62 2.016 -4.752 13.894 1.00 0.00 C ATOM 914 CG ASP A 62 1.653 -6.220 13.988 1.00 0.00 C ATOM 915 OD1 ASP A 62 2.191 -7.017 13.192 1.00 0.00 O ATOM 916 OD2 ASP A 62 0.830 -6.573 14.859 1.00 0.00 O ATOM 0 H ASP A 62 2.790 -2.478 13.329 1.00 0.00 H new ATOM 0 HA ASP A 62 2.993 -4.870 11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.937 -4.572 14.449 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.236 -4.157 14.369 1.00 0.00 H new ATOM 921 N ALA A 63 -0.167 -3.871 12.107 1.00 0.00 N ATOM 922 CA ALA A 63 -1.460 -4.001 11.445 1.00 0.00 C ATOM 923 C ALA A 63 -2.052 -2.633 11.124 1.00 0.00 C ATOM 924 O ALA A 63 -3.270 -2.454 11.132 1.00 0.00 O ATOM 925 CB ALA A 63 -2.419 -4.803 12.312 1.00 0.00 C ATOM 0 H ALA A 63 -0.170 -3.258 12.922 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.307 -4.532 10.505 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.380 -4.892 11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.007 -5.797 12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.558 -4.295 13.267 1.00 0.00 H new ATOM 931 N THR A 64 -1.182 -1.667 10.843 1.00 0.00 N ATOM 932 CA THR A 64 -1.619 -0.315 10.521 1.00 0.00 C ATOM 933 C THR A 64 -0.651 0.361 9.557 1.00 0.00 C ATOM 934 O THR A 64 0.522 -0.004 9.481 1.00 0.00 O ATOM 935 CB THR A 64 -1.749 0.550 11.790 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.767 0.017 12.644 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.083 1.990 11.431 1.00 0.00 C ATOM 0 H THR A 64 -0.170 -1.797 10.832 1.00 0.00 H new ATOM 0 HA THR A 64 -2.597 -0.403 10.048 1.00 0.00 H new ATOM 0 HB THR A 64 -0.793 0.535 12.313 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.842 0.571 13.449 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.170 2.581 12.342 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.291 2.402 10.805 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.028 2.020 10.888 1.00 0.00 H new ATOM 945 N VAL A 65 -1.149 1.349 8.820 1.00 0.00 N ATOM 946 CA VAL A 65 -0.328 2.077 7.861 1.00 0.00 C ATOM 947 C VAL A 65 -0.592 3.577 7.938 1.00 0.00 C ATOM 948 O VAL A 65 -1.691 4.042 7.632 1.00 0.00 O ATOM 949 CB VAL A 65 -0.586 1.595 6.421 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.231 2.410 5.430 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.271 0.112 6.292 1.00 0.00 C ATOM 0 H VAL A 65 -2.118 1.663 8.869 1.00 0.00 H new ATOM 0 HA VAL A 65 0.712 1.880 8.121 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.641 1.741 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.035 2.055 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.048 3.461 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.292 2.299 5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.459 -0.212 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.776 -0.061 6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.904 -0.455 6.974 1.00 0.00 H new ATOM 961 N THR A 66 0.423 4.331 8.349 1.00 0.00 N ATOM 962 CA THR A 66 0.301 5.778 8.467 1.00 0.00 C ATOM 963 C THR A 66 1.211 6.490 7.473 1.00 0.00 C ATOM 964 O THR A 66 2.288 5.996 7.138 1.00 0.00 O ATOM 965 CB THR A 66 0.642 6.256 9.891 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.008 5.422 10.857 1.00 0.00 O ATOM 967 CG2 THR A 66 0.215 7.702 10.093 1.00 0.00 C ATOM 0 H THR A 66 1.339 3.963 8.606 1.00 0.00 H new ATOM 0 HA THR A 66 -0.737 6.026 8.247 1.00 0.00 H new ATOM 0 HB THR A 66 1.722 6.191 10.023 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.215 5.732 11.760 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.466 8.017 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.734 8.338 9.376 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.861 7.788 9.942 1.00 0.00 H new ATOM 975 N VAL A 67 0.772 7.653 7.003 1.00 0.00 N ATOM 976 CA VAL A 67 1.549 8.434 6.047 1.00 0.00 C ATOM 977 C VAL A 67 2.114 9.692 6.697 1.00 0.00 C ATOM 978 O VAL A 67 1.375 10.622 7.021 1.00 0.00 O ATOM 979 CB VAL A 67 0.698 8.837 4.828 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.511 9.691 3.868 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.154 7.602 4.127 1.00 0.00 C ATOM 0 H VAL A 67 -0.118 8.076 7.268 1.00 0.00 H new ATOM 0 HA VAL A 67 2.371 7.800 5.713 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.147 9.430 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.893 9.966 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.846 10.594 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.377 9.126 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.445 7.905 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.983 6.980 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.467 7.034 4.820 1.00 0.00 H new ATOM 991 N ILE A 68 3.430 9.714 6.884 1.00 0.00 N ATOM 992 CA ILE A 68 4.095 10.859 7.493 1.00 0.00 C ATOM 993 C ILE A 68 4.865 11.665 6.452 1.00 0.00 C ATOM 994 O ILE A 68 5.547 11.102 5.596 1.00 0.00 O ATOM 995 CB ILE A 68 5.064 10.420 8.606 1.00 0.00 C ATOM 996 CG1 ILE A 68 4.320 9.612 9.671 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.739 11.633 9.229 1.00 0.00 C ATOM 998 CD1 ILE A 68 5.206 9.148 10.806 1.00 0.00 C ATOM 0 H ILE A 68 4.056 8.952 6.623 1.00 0.00 H new ATOM 0 HA ILE A 68 3.314 11.483 7.928 1.00 0.00 H new ATOM 0 HB ILE A 68 5.834 9.785 8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.511 10.219 10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.860 8.743 9.201 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.421 11.307 10.014 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.298 12.172 8.464 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.982 12.291 9.656 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.612 8.582 11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.000 8.514 10.412 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.645 10.014 11.302 1.00 0.00 H new ATOM 1010 N SER A 69 4.752 12.987 6.534 1.00 0.00 N ATOM 1011 CA SER A 69 5.436 13.872 5.598 1.00 0.00 C ATOM 1012 C SER A 69 6.950 13.737 5.731 1.00 0.00 C ATOM 1013 O SER A 69 7.472 13.541 6.828 1.00 0.00 O ATOM 1014 CB SER A 69 5.019 15.324 5.838 1.00 0.00 C ATOM 1015 OG SER A 69 5.532 16.176 4.829 1.00 0.00 O ATOM 0 H SER A 69 4.194 13.469 7.239 1.00 0.00 H new ATOM 0 HA SER A 69 5.150 13.582 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.931 15.394 5.859 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.379 15.652 6.813 1.00 0.00 H new ATOM 0 HG SER A 69 5.250 17.098 5.005 1.00 0.00 H new ATOM 1021 N GLU A 70 7.649 13.845 4.605 1.00 0.00 N ATOM 1022 CA GLU A 70 9.102 13.734 4.595 1.00 0.00 C ATOM 1023 C GLU A 70 9.736 14.813 5.469 1.00 0.00 C ATOM 1024 O GLU A 70 10.716 14.563 6.172 1.00 0.00 O ATOM 1025 CB GLU A 70 9.635 13.843 3.165 1.00 0.00 C ATOM 1026 CG GLU A 70 11.152 13.826 3.077 1.00 0.00 C ATOM 1027 CD GLU A 70 11.781 15.096 3.618 1.00 0.00 C ATOM 1028 OE1 GLU A 70 11.330 16.193 3.229 1.00 0.00 O ATOM 1029 OE2 GLU A 70 12.725 14.991 4.430 1.00 0.00 O ATOM 0 H GLU A 70 7.232 14.009 3.689 1.00 0.00 H new ATOM 0 HA GLU A 70 9.369 12.758 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.236 13.019 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.264 14.765 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.535 12.970 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.451 13.691 2.037 1.00 0.00 H new ATOM 1036 N LYS A 71 9.170 16.014 5.420 1.00 0.00 N ATOM 1037 CA LYS A 71 9.677 17.132 6.206 1.00 0.00 C ATOM 1038 C LYS A 71 9.357 16.946 7.686 1.00 0.00 C ATOM 1039 O LYS A 71 10.240 16.643 8.488 1.00 0.00 O ATOM 1040 CB LYS A 71 9.076 18.448 5.706 1.00 0.00 C ATOM 1041 CG LYS A 71 9.650 18.912 4.378 1.00 0.00 C ATOM 1042 CD LYS A 71 11.087 19.381 4.525 1.00 0.00 C ATOM 1043 CE LYS A 71 11.562 20.121 3.284 1.00 0.00 C ATOM 1044 NZ LYS A 71 12.939 20.663 3.454 1.00 0.00 N ATOM 0 H LYS A 71 8.359 16.238 4.843 1.00 0.00 H new ATOM 0 HA LYS A 71 10.760 17.165 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.997 18.330 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.243 19.222 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.605 18.096 3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.040 19.724 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.170 20.034 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.734 18.523 4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.540 19.446 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.875 20.938 3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.226 21.160 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.954 21.327 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.599 19.881 3.640 1.00 0.00 H new ATOM 1058 N ASN A 72 8.089 17.127 8.040 1.00 0.00 N ATOM 1059 CA ASN A 72 7.654 16.978 9.424 1.00 0.00 C ATOM 1060 C ASN A 72 7.581 15.505 9.816 1.00 0.00 C ATOM 1061 O ASN A 72 7.664 14.622 8.963 1.00 0.00 O ATOM 1062 CB ASN A 72 6.288 17.638 9.625 1.00 0.00 C ATOM 1063 CG ASN A 72 6.104 18.167 11.034 1.00 0.00 C ATOM 1064 OD1 ASN A 72 6.871 17.838 11.939 1.00 0.00 O ATOM 1065 ND2 ASN A 72 5.081 18.992 11.227 1.00 0.00 N ATOM 0 H ASN A 72 7.345 17.377 7.388 1.00 0.00 H new ATOM 0 HA ASN A 72 8.386 17.471 10.064 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.175 18.457 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.502 16.915 9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.906 19.380 12.154 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.470 19.238 10.448 1.00 0.00 H new ATOM 1072 N GLU A 73 7.425 15.249 11.111 1.00 0.00 N ATOM 1073 CA GLU A 73 7.341 13.884 11.615 1.00 0.00 C ATOM 1074 C GLU A 73 5.952 13.595 12.177 1.00 0.00 C ATOM 1075 O GLU A 73 5.425 12.494 12.020 1.00 0.00 O ATOM 1076 CB GLU A 73 8.399 13.649 12.695 1.00 0.00 C ATOM 1077 CG GLU A 73 8.210 14.514 13.930 1.00 0.00 C ATOM 1078 CD GLU A 73 9.106 14.095 15.079 1.00 0.00 C ATOM 1079 OE1 GLU A 73 10.297 13.811 14.829 1.00 0.00 O ATOM 1080 OE2 GLU A 73 8.618 14.050 16.227 1.00 0.00 O ATOM 0 H GLU A 73 7.354 15.969 11.830 1.00 0.00 H new ATOM 0 HA GLU A 73 7.525 13.205 10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.378 12.600 12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.385 13.842 12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.415 15.554 13.675 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.169 14.463 14.249 1.00 0.00 H new ATOM 1087 N GLU A 74 5.366 14.592 12.832 1.00 0.00 N ATOM 1088 CA GLU A 74 4.040 14.445 13.419 1.00 0.00 C ATOM 1089 C GLU A 74 2.955 14.819 12.412 1.00 0.00 C ATOM 1090 O GLU A 74 1.777 14.901 12.757 1.00 0.00 O ATOM 1091 CB GLU A 74 3.911 15.316 14.671 1.00 0.00 C ATOM 1092 CG GLU A 74 4.089 16.800 14.400 1.00 0.00 C ATOM 1093 CD GLU A 74 5.537 17.240 14.487 1.00 0.00 C ATOM 1094 OE1 GLU A 74 6.378 16.430 14.928 1.00 0.00 O ATOM 1095 OE2 GLU A 74 5.829 18.396 14.114 1.00 0.00 O ATOM 0 H GLU A 74 5.789 15.510 12.969 1.00 0.00 H new ATOM 0 HA GLU A 74 3.909 13.400 13.698 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.931 15.152 15.118 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.653 14.997 15.403 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.701 17.033 13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.497 17.370 15.116 1.00 0.00 H new ATOM 1102 N GLU A 75 3.364 15.045 11.168 1.00 0.00 N ATOM 1103 CA GLU A 75 2.427 15.412 10.112 1.00 0.00 C ATOM 1104 C GLU A 75 1.835 14.168 9.454 1.00 0.00 C ATOM 1105 O GLU A 75 2.370 13.657 8.471 1.00 0.00 O ATOM 1106 CB GLU A 75 3.125 16.275 9.059 1.00 0.00 C ATOM 1107 CG GLU A 75 2.241 16.620 7.872 1.00 0.00 C ATOM 1108 CD GLU A 75 0.870 17.116 8.289 1.00 0.00 C ATOM 1109 OE1 GLU A 75 0.052 16.287 8.740 1.00 0.00 O ATOM 1110 OE2 GLU A 75 0.616 18.332 8.165 1.00 0.00 O ATOM 0 H GLU A 75 4.336 14.981 10.867 1.00 0.00 H new ATOM 0 HA GLU A 75 1.617 15.985 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.468 17.198 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.011 15.751 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.731 17.384 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.128 15.739 7.240 1.00 0.00 H new ATOM 1117 N VAL A 76 0.725 13.687 10.006 1.00 0.00 N ATOM 1118 CA VAL A 76 0.058 12.504 9.474 1.00 0.00 C ATOM 1119 C VAL A 76 -0.788 12.853 8.254 1.00 0.00 C ATOM 1120 O VAL A 76 -1.937 13.278 8.383 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.839 11.841 10.535 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.654 12.890 11.277 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -1.748 10.805 9.892 1.00 0.00 C ATOM 0 H VAL A 76 0.269 14.098 10.821 1.00 0.00 H new ATOM 0 HA VAL A 76 0.840 11.803 9.182 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.201 11.333 11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.282 12.402 12.023 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.981 13.591 11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.284 13.429 10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.375 10.346 10.657 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.380 11.288 9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.142 10.037 9.411 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.214 12.670 7.071 1.00 0.00 N ATOM 1134 CA LEU A 77 -0.915 12.964 5.826 1.00 0.00 C ATOM 1135 C LEU A 77 -2.148 12.079 5.674 1.00 0.00 C ATOM 1136 O LEU A 77 -3.203 12.536 5.233 1.00 0.00 O ATOM 1137 CB LEU A 77 0.019 12.765 4.631 1.00 0.00 C ATOM 1138 CG LEU A 77 1.217 13.713 4.551 1.00 0.00 C ATOM 1139 CD1 LEU A 77 2.266 13.168 3.596 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.769 15.102 4.118 1.00 0.00 C ATOM 0 H LEU A 77 0.736 12.319 6.947 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.238 14.005 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.392 11.741 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.565 12.872 3.717 1.00 0.00 H new ATOM 0 HG LEU A 77 1.663 13.789 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.110 13.856 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.608 12.195 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.833 13.062 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.634 15.764 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.298 15.043 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.054 15.495 4.841 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.009 10.810 6.043 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.112 9.861 5.951 1.00 0.00 C ATOM 1154 C VAL A 78 -2.960 8.740 6.973 1.00 0.00 C ATOM 1155 O VAL A 78 -1.847 8.401 7.375 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.209 9.247 4.542 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.107 8.019 4.554 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.716 10.279 3.545 1.00 0.00 C ATOM 0 H VAL A 78 -1.143 10.415 6.409 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.026 10.417 6.160 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.212 8.935 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.163 7.599 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.696 7.274 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.106 8.302 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.778 9.828 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.704 10.624 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.029 11.125 3.516 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.085 8.167 7.387 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.076 7.083 8.363 1.00 0.00 C ATOM 1170 C GLU A 79 -4.955 5.926 7.898 1.00 0.00 C ATOM 1171 O GLU A 79 -6.183 6.001 7.961 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.556 7.588 9.725 1.00 0.00 C ATOM 1173 CG GLU A 79 -3.977 6.817 10.899 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.015 7.608 12.192 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -4.829 8.550 12.288 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.230 7.284 13.108 1.00 0.00 O ATOM 0 H GLU A 79 -5.014 8.435 7.062 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.052 6.723 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.291 8.641 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.644 7.528 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.533 5.889 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.946 6.542 10.676 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.319 4.856 7.433 1.00 0.00 N ATOM 1184 CA CYS A 80 -5.043 3.683 6.957 1.00 0.00 C ATOM 1185 C CYS A 80 -4.777 2.479 7.854 1.00 0.00 C ATOM 1186 O CYS A 80 -3.636 2.215 8.233 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.641 3.360 5.517 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.633 2.059 4.747 1.00 0.00 S ATOM 0 H CYS A 80 -3.304 4.777 7.376 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.109 3.907 6.988 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.721 4.266 4.917 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.593 3.060 5.502 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.516 2.132 3.454 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.838 1.753 8.192 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.719 0.579 9.047 1.00 0.00 C ATOM 1196 C ARG A 81 -6.109 -0.687 8.290 1.00 0.00 C ATOM 1197 O ARG A 81 -7.083 -0.698 7.536 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.600 0.735 10.288 1.00 0.00 C ATOM 1199 CG ARG A 81 -6.048 1.717 11.308 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.298 3.157 10.887 1.00 0.00 C ATOM 1201 NE ARG A 81 -6.427 4.049 12.036 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.964 5.262 11.968 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -7.419 5.725 10.812 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -7.046 6.014 13.058 1.00 0.00 N ATOM 0 H ARG A 81 -6.789 1.958 7.886 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.678 0.490 9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.592 1.064 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.720 -0.239 10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.511 1.535 12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.977 1.553 11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.478 3.497 10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.206 3.206 10.286 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.086 3.723 12.940 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.357 5.149 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.831 6.657 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.697 5.661 13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.458 6.945 13.005 1.00 0.00 H new ATOM 1218 N VAL A 82 -5.341 -1.753 8.494 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.606 -3.024 7.831 1.00 0.00 C ATOM 1220 C VAL A 82 -7.092 -3.364 7.867 1.00 0.00 C ATOM 1221 O VAL A 82 -7.637 -3.909 6.907 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.812 -4.173 8.483 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -5.130 -5.495 7.802 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -3.320 -3.884 8.433 1.00 0.00 C ATOM 0 H VAL A 82 -4.530 -1.761 9.113 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.287 -2.913 6.795 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.109 -4.250 9.529 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.560 -6.295 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.196 -5.705 7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.862 -5.435 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.775 -4.705 8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.004 -3.780 7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.110 -2.959 8.971 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.741 -3.037 8.979 1.00 0.00 N ATOM 1235 CA ARG A 83 -9.165 -3.308 9.140 1.00 0.00 C ATOM 1236 C ARG A 83 -9.989 -2.494 8.147 1.00 0.00 C ATOM 1237 O ARG A 83 -11.013 -2.959 7.647 1.00 0.00 O ATOM 1238 CB ARG A 83 -9.608 -2.989 10.570 1.00 0.00 C ATOM 1239 CG ARG A 83 -9.354 -1.547 10.978 1.00 0.00 C ATOM 1240 CD ARG A 83 -9.153 -1.421 12.480 1.00 0.00 C ATOM 1241 NE ARG A 83 -9.322 -0.045 12.941 1.00 0.00 N ATOM 1242 CZ ARG A 83 -9.471 0.288 14.218 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -9.471 -0.649 15.156 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -9.620 1.562 14.559 1.00 0.00 N ATOM 0 H ARG A 83 -7.304 -2.584 9.782 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.333 -4.367 8.943 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.672 -3.204 10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.084 -3.651 11.260 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.473 -1.171 10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.195 -0.927 10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.864 -2.066 12.996 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.155 -1.772 12.743 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.326 0.700 12.244 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.356 -1.629 14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.586 -0.390 16.136 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.620 2.286 13.840 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.734 1.817 15.540 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.535 -1.277 7.867 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.231 -0.397 6.935 1.00 0.00 C ATOM 1260 C PHE A 84 -9.826 -0.701 5.496 1.00 0.00 C ATOM 1261 O PHE A 84 -10.503 -0.296 4.550 1.00 0.00 O ATOM 1262 CB PHE A 84 -9.932 1.067 7.263 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.257 1.442 8.681 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -11.325 0.856 9.339 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -9.493 2.381 9.355 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -11.627 1.200 10.644 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -9.789 2.729 10.660 1.00 0.00 C ATOM 1268 CZ PHE A 84 -10.857 2.137 11.305 1.00 0.00 C ATOM 0 H PHE A 84 -8.688 -0.878 8.272 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.302 -0.573 7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.876 1.265 7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.500 1.706 6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.929 0.122 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.656 2.847 8.855 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.464 0.737 11.146 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.186 3.463 11.174 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.090 2.406 12.325 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.718 -1.415 5.337 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.221 -1.774 4.013 1.00 0.00 C ATOM 1280 C LEU A 85 -9.163 -2.758 3.326 1.00 0.00 C ATOM 1281 O LEU A 85 -9.156 -3.951 3.627 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.821 -2.380 4.119 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.925 -2.219 2.891 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.468 -2.459 3.257 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.362 -3.167 1.784 1.00 0.00 C ATOM 0 H LEU A 85 -8.146 -1.757 6.109 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.172 -0.866 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.316 -1.930 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.923 -3.444 4.333 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.022 -1.197 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.846 -2.340 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.160 -1.739 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.353 -3.470 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.713 -3.039 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.295 -4.196 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.392 -2.947 1.502 1.00 0.00 H new ATOM 1297 N SER A 86 -9.970 -2.248 2.401 1.00 0.00 N ATOM 1298 CA SER A 86 -10.918 -3.082 1.672 1.00 0.00 C ATOM 1299 C SER A 86 -10.192 -4.014 0.707 1.00 0.00 C ATOM 1300 O SER A 86 -10.314 -5.236 0.797 1.00 0.00 O ATOM 1301 CB SER A 86 -11.912 -2.208 0.904 1.00 0.00 C ATOM 1302 OG SER A 86 -12.804 -3.001 0.140 1.00 0.00 O ATOM 0 H SER A 86 -9.986 -1.262 2.139 1.00 0.00 H new ATOM 0 HA SER A 86 -11.462 -3.689 2.396 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.476 -1.592 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.371 -1.528 0.246 1.00 0.00 H new ATOM 0 HG SER A 86 -12.551 -2.959 -0.806 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.437 -3.428 -0.217 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.692 -4.205 -1.200 1.00 0.00 C ATOM 1310 C PHE A 87 -7.477 -3.429 -1.699 1.00 0.00 C ATOM 1311 O PHE A 87 -7.580 -2.255 -2.054 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.594 -4.575 -2.379 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.837 -5.040 -3.590 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.303 -4.125 -4.484 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.658 -6.392 -3.835 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.607 -4.550 -5.599 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.963 -6.823 -4.949 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.435 -5.901 -5.831 1.00 0.00 C ATOM 0 H PHE A 87 -9.325 -2.418 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.345 -5.118 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.282 -5.360 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.199 -3.709 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.433 -3.068 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.066 -7.118 -3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.198 -3.827 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.833 -7.880 -5.130 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.889 -6.235 -6.701 1.00 0.00 H new ATOM 1328 N MET A 88 -6.326 -4.093 -1.722 1.00 0.00 N ATOM 1329 CA MET A 88 -5.091 -3.466 -2.177 1.00 0.00 C ATOM 1330 C MET A 88 -4.630 -4.070 -3.500 1.00 0.00 C ATOM 1331 O MET A 88 -5.130 -5.110 -3.926 1.00 0.00 O ATOM 1332 CB MET A 88 -3.994 -3.624 -1.122 1.00 0.00 C ATOM 1333 CG MET A 88 -3.609 -5.071 -0.857 1.00 0.00 C ATOM 1334 SD MET A 88 -2.259 -5.225 0.328 1.00 0.00 S ATOM 1335 CE MET A 88 -3.133 -5.867 1.754 1.00 0.00 C ATOM 0 H MET A 88 -6.223 -5.065 -1.431 1.00 0.00 H new ATOM 0 HA MET A 88 -5.287 -2.405 -2.330 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.110 -3.075 -1.444 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.330 -3.169 -0.190 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.479 -5.612 -0.483 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.319 -5.543 -1.796 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.483 -6.549 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.424 -5.042 2.404 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.024 -6.401 1.424 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.673 -3.410 -4.146 1.00 0.00 N ATOM 1346 CA GLY A 89 -3.162 -3.897 -5.414 1.00 0.00 C ATOM 1347 C GLY A 89 -2.068 -3.011 -5.976 1.00 0.00 C ATOM 1348 O GLY A 89 -1.644 -2.051 -5.332 1.00 0.00 O ATOM 0 H GLY A 89 -3.243 -2.547 -3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.775 -4.908 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.980 -3.959 -6.132 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.608 -3.335 -7.180 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.555 -2.562 -7.829 1.00 0.00 C ATOM 1354 C VAL A 90 -0.930 -2.223 -9.268 1.00 0.00 C ATOM 1355 O VAL A 90 -1.564 -3.018 -9.959 1.00 0.00 O ATOM 1356 CB VAL A 90 0.784 -3.323 -7.825 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.811 -2.603 -8.686 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.294 -3.494 -6.402 1.00 0.00 C ATOM 0 H VAL A 90 -1.948 -4.127 -7.726 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.442 -1.640 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 90 0.621 -4.313 -8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.750 -3.156 -8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.445 -2.538 -9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.974 -1.599 -8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.241 -4.034 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.442 -2.514 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.565 -4.057 -5.819 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.531 -1.035 -9.713 1.00 0.00 N ATOM 1369 CA GLY A 91 -0.834 -0.611 -11.067 1.00 0.00 C ATOM 1370 C GLY A 91 -0.101 -1.432 -12.109 1.00 0.00 C ATOM 1371 O GLY A 91 0.528 -2.440 -11.787 1.00 0.00 O ATOM 0 H GLY A 91 -0.004 -0.359 -9.160 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.908 -0.689 -11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.568 0.440 -11.184 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.183 -1.002 -13.364 1.00 0.00 N ATOM 1376 CA LYS A 92 0.477 -1.704 -14.458 1.00 0.00 C ATOM 1377 C LYS A 92 1.987 -1.751 -14.243 1.00 0.00 C ATOM 1378 O LYS A 92 2.694 -2.514 -14.901 1.00 0.00 O ATOM 1379 CB LYS A 92 0.163 -1.022 -15.792 1.00 0.00 C ATOM 1380 CG LYS A 92 -1.091 -1.553 -16.465 1.00 0.00 C ATOM 1381 CD LYS A 92 -0.796 -2.788 -17.300 1.00 0.00 C ATOM 1382 CE LYS A 92 -0.738 -4.041 -16.440 1.00 0.00 C ATOM 1383 NZ LYS A 92 -0.930 -5.277 -17.248 1.00 0.00 N ATOM 0 H LYS A 92 -0.700 -0.170 -13.648 1.00 0.00 H new ATOM 0 HA LYS A 92 0.099 -2.726 -14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.050 0.049 -15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.010 -1.152 -16.466 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.837 -1.794 -15.708 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.520 -0.778 -17.100 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.565 -2.905 -18.063 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.153 -2.658 -17.821 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.224 -4.087 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.506 -3.988 -15.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.884 -6.109 -16.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.858 -5.245 -17.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.182 -5.341 -17.968 1.00 0.00 H new ATOM 1397 N ASP A 93 2.473 -0.932 -13.317 1.00 0.00 N ATOM 1398 CA ASP A 93 3.899 -0.883 -13.013 1.00 0.00 C ATOM 1399 C ASP A 93 4.164 -1.327 -11.578 1.00 0.00 C ATOM 1400 O ASP A 93 3.293 -1.224 -10.714 1.00 0.00 O ATOM 1401 CB ASP A 93 4.439 0.531 -13.230 1.00 0.00 C ATOM 1402 CG ASP A 93 4.891 0.765 -14.658 1.00 0.00 C ATOM 1403 OD1 ASP A 93 4.052 0.639 -15.574 1.00 0.00 O ATOM 1404 OD2 ASP A 93 6.085 1.074 -14.860 1.00 0.00 O ATOM 0 H ASP A 93 1.901 -0.293 -12.764 1.00 0.00 H new ATOM 0 HA ASP A 93 4.413 -1.568 -13.687 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.666 1.255 -12.973 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.276 0.705 -12.554 1.00 0.00 H new ATOM 1409 N VAL A 94 5.372 -1.823 -11.331 1.00 0.00 N ATOM 1410 CA VAL A 94 5.753 -2.283 -10.001 1.00 0.00 C ATOM 1411 C VAL A 94 6.313 -1.140 -9.163 1.00 0.00 C ATOM 1412 O VAL A 94 6.580 -1.301 -7.971 1.00 0.00 O ATOM 1413 CB VAL A 94 6.799 -3.411 -10.075 1.00 0.00 C ATOM 1414 CG1 VAL A 94 6.333 -4.511 -11.017 1.00 0.00 C ATOM 1415 CG2 VAL A 94 8.147 -2.858 -10.513 1.00 0.00 C ATOM 0 H VAL A 94 6.104 -1.917 -12.035 1.00 0.00 H new ATOM 0 HA VAL A 94 4.849 -2.667 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 94 6.914 -3.843 -9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.085 -5.299 -11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.392 -4.925 -10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.188 -4.098 -12.015 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.875 -3.668 -10.560 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.050 -2.400 -11.497 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.484 -2.109 -9.796 1.00 0.00 H new ATOM 1425 N HIS A 95 6.489 0.018 -9.793 1.00 0.00 N ATOM 1426 CA HIS A 95 7.016 1.190 -9.105 1.00 0.00 C ATOM 1427 C HIS A 95 5.892 1.988 -8.451 1.00 0.00 C ATOM 1428 O HIS A 95 6.113 3.085 -7.936 1.00 0.00 O ATOM 1429 CB HIS A 95 7.786 2.078 -10.083 1.00 0.00 C ATOM 1430 CG HIS A 95 8.933 1.382 -10.749 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.768 0.342 -11.638 1.00 0.00 N ATOM 1432 CD2 HIS A 95 10.268 1.585 -10.652 1.00 0.00 C ATOM 1433 CE1 HIS A 95 9.951 -0.067 -12.058 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.878 0.671 -11.475 1.00 0.00 N ATOM 0 H HIS A 95 6.274 0.169 -10.779 1.00 0.00 H new ATOM 0 HA HIS A 95 7.695 0.847 -8.325 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.100 2.443 -10.847 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.162 2.951 -9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.761 2.327 -10.041 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.130 -0.869 -12.759 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.884 0.577 -11.614 1.00 0.00 H new ATOM 1443 N THR A 96 4.685 1.431 -8.476 1.00 0.00 N ATOM 1444 CA THR A 96 3.527 2.091 -7.888 1.00 0.00 C ATOM 1445 C THR A 96 2.855 1.200 -6.849 1.00 0.00 C ATOM 1446 O THR A 96 3.077 -0.010 -6.818 1.00 0.00 O ATOM 1447 CB THR A 96 2.493 2.476 -8.963 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.912 1.295 -9.529 1.00 0.00 O ATOM 1449 CG2 THR A 96 3.139 3.305 -10.063 1.00 0.00 C ATOM 0 H THR A 96 4.485 0.524 -8.897 1.00 0.00 H new ATOM 0 HA THR A 96 3.892 2.997 -7.405 1.00 0.00 H new ATOM 0 HB THR A 96 1.714 3.073 -8.489 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.624 0.685 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.389 3.565 -10.811 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.556 4.217 -9.635 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.935 2.728 -10.533 1.00 0.00 H new ATOM 1457 N PHE A 97 2.031 1.806 -6.001 1.00 0.00 N ATOM 1458 CA PHE A 97 1.326 1.067 -4.960 1.00 0.00 C ATOM 1459 C PHE A 97 0.055 1.799 -4.539 1.00 0.00 C ATOM 1460 O PHE A 97 0.113 2.892 -3.975 1.00 0.00 O ATOM 1461 CB PHE A 97 2.235 0.861 -3.746 1.00 0.00 C ATOM 1462 CG PHE A 97 1.507 0.369 -2.528 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.818 -0.833 -2.556 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.513 1.107 -1.356 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.147 -1.288 -1.437 1.00 0.00 C ATOM 1466 CE2 PHE A 97 0.843 0.657 -0.234 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.160 -0.543 -0.274 1.00 0.00 C ATOM 0 H PHE A 97 1.835 2.807 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 97 1.047 0.095 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.017 0.147 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.729 1.803 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.805 -1.420 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.047 2.045 -1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.387 -2.226 -1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.853 1.243 0.673 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.363 -0.898 0.602 1.00 0.00 H new ATOM 1477 N ALA A 98 -1.092 1.188 -4.817 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.377 1.780 -4.466 1.00 0.00 C ATOM 1479 C ALA A 98 -3.220 0.812 -3.643 1.00 0.00 C ATOM 1480 O ALA A 98 -3.343 -0.364 -3.983 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.126 2.198 -5.723 1.00 0.00 C ATOM 0 H ALA A 98 -1.158 0.284 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.188 2.665 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.084 2.638 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.535 2.931 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.297 1.324 -6.352 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.800 1.315 -2.558 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.631 0.495 -1.685 1.00 0.00 C ATOM 1489 C PHE A 99 -5.978 1.164 -1.430 1.00 0.00 C ATOM 1490 O PHE A 99 -6.065 2.387 -1.323 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.916 0.241 -0.356 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.758 1.475 0.486 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.844 2.017 1.154 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.524 2.093 0.608 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.703 3.152 1.929 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.377 3.228 1.382 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.468 3.759 2.043 1.00 0.00 C ATOM 0 H PHE A 99 -3.709 2.287 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.807 -0.458 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.473 -0.506 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.931 -0.180 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.812 1.547 1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.668 1.683 0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.558 3.564 2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.410 3.700 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.355 4.647 2.647 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.026 0.352 -1.335 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.369 0.864 -1.093 1.00 0.00 C ATOM 1509 C ILE A 100 -8.747 0.742 0.380 1.00 0.00 C ATOM 1510 O ILE A 100 -8.648 -0.334 0.969 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.417 0.122 -1.943 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.061 0.219 -3.428 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.805 0.689 -1.687 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.903 -0.677 -4.310 1.00 0.00 C ATOM 0 H ILE A 100 -6.971 -0.663 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.361 1.916 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.418 -0.930 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.179 1.252 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.010 -0.039 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.534 0.154 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.057 0.573 -0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.820 1.747 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.596 -0.557 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.767 -1.716 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.953 -0.405 -4.208 1.00 0.00 H new ATOM 1526 N MET A 101 -9.181 1.852 0.967 1.00 0.00 N ATOM 1527 CA MET A 101 -9.577 1.869 2.371 1.00 0.00 C ATOM 1528 C MET A 101 -10.982 2.439 2.533 1.00 0.00 C ATOM 1529 O MET A 101 -11.536 3.024 1.601 1.00 0.00 O ATOM 1530 CB MET A 101 -8.583 2.690 3.194 1.00 0.00 C ATOM 1531 CG MET A 101 -8.637 4.180 2.902 1.00 0.00 C ATOM 1532 SD MET A 101 -7.394 5.113 3.817 1.00 0.00 S ATOM 1533 CE MET A 101 -8.081 5.060 5.470 1.00 0.00 C ATOM 0 H MET A 101 -9.268 2.751 0.493 1.00 0.00 H new ATOM 0 HA MET A 101 -9.577 0.841 2.735 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.781 2.528 4.254 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.574 2.326 2.999 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.494 4.342 1.834 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.628 4.560 3.152 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.584 5.803 6.094 1.00 0.00 H new ATOM 0 HE2 MET A 101 -9.148 5.277 5.428 1.00 0.00 H new ATOM 0 HE3 MET A 101 -7.929 4.068 5.896 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.553 2.266 3.720 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.894 2.765 4.003 1.00 0.00 C ATOM 1545 C ASP A 102 -12.856 3.841 5.084 1.00 0.00 C ATOM 1546 O ASP A 102 -12.542 3.563 6.242 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.806 1.617 4.441 1.00 0.00 C ATOM 1548 CG ASP A 102 -15.211 2.086 4.763 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -15.943 2.461 3.822 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -15.580 2.077 5.956 1.00 0.00 O ATOM 0 H ASP A 102 -11.109 1.784 4.501 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.291 3.207 3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.848 0.868 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.378 1.131 5.318 1.00 0.00 H new ATOM 1555 N THR A 103 -13.177 5.072 4.697 1.00 0.00 N ATOM 1556 CA THR A 103 -13.177 6.191 5.632 1.00 0.00 C ATOM 1557 C THR A 103 -14.582 6.470 6.154 1.00 0.00 C ATOM 1558 O THR A 103 -14.784 6.653 7.354 1.00 0.00 O ATOM 1559 CB THR A 103 -12.622 7.469 4.977 1.00 0.00 C ATOM 1560 OG1 THR A 103 -13.411 7.817 3.834 1.00 0.00 O ATOM 1561 CG2 THR A 103 -11.172 7.277 4.559 1.00 0.00 C ATOM 0 H THR A 103 -13.440 5.319 3.743 1.00 0.00 H new ATOM 0 HA THR A 103 -12.532 5.909 6.464 1.00 0.00 H new ATOM 0 HB THR A 103 -12.669 8.275 5.709 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.052 8.632 3.425 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.802 8.193 4.099 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.569 7.042 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.105 6.458 3.842 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.480 5.203 0.007 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.435 5.951 -0.682 1.00 0.00 C ATOM 1609 C ARG A 107 -16.061 5.622 -0.106 1.00 0.00 C ATOM 1610 O ARG A 107 -15.712 6.068 0.987 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.699 7.454 -0.575 1.00 0.00 C ATOM 1612 CG ARG A 107 -18.592 7.996 -1.679 1.00 0.00 C ATOM 1613 CD ARG A 107 -19.283 9.282 -1.254 1.00 0.00 C ATOM 1614 NE ARG A 107 -18.387 10.434 -1.327 1.00 0.00 N ATOM 1615 CZ ARG A 107 -18.036 11.020 -2.466 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -18.502 10.566 -3.621 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -17.216 12.064 -2.451 1.00 0.00 N ATOM 0 HA ARG A 107 -17.448 5.661 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.160 7.666 0.390 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.747 7.984 -0.597 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.996 8.180 -2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.341 7.249 -1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -20.150 9.456 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.654 9.175 -0.235 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.011 10.808 -0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.132 9.764 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.230 11.019 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.855 12.416 -1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.947 12.514 -3.326 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.286 4.839 -0.848 1.00 0.00 N ATOM 1632 CA PHE A 108 -13.950 4.449 -0.411 1.00 0.00 C ATOM 1633 C PHE A 108 -12.887 5.332 -1.056 1.00 0.00 C ATOM 1634 O PHE A 108 -13.051 5.796 -2.184 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.686 2.981 -0.754 1.00 0.00 C ATOM 1636 CG PHE A 108 -14.873 2.089 -0.524 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.619 2.193 0.639 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.241 1.146 -1.470 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.711 1.373 0.854 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.333 0.324 -1.261 1.00 0.00 C ATOM 1641 CZ PHE A 108 -17.068 0.437 -0.097 1.00 0.00 C ATOM 0 H PHE A 108 -15.560 4.462 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.897 4.578 0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.384 2.909 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.849 2.621 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.344 2.923 1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.668 1.052 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -17.284 1.464 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.611 -0.406 -2.007 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.920 -0.205 0.069 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.797 5.562 -0.330 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.707 6.391 -0.831 1.00 0.00 C ATOM 1653 C GLU A 109 -9.499 5.536 -1.204 1.00 0.00 C ATOM 1654 O GLU A 109 -9.004 4.755 -0.390 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.306 7.432 0.216 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.447 8.343 0.638 1.00 0.00 C ATOM 1657 CD GLU A 109 -10.960 9.633 1.269 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -9.959 9.589 2.014 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -11.582 10.687 1.018 1.00 0.00 O ATOM 0 H GLU A 109 -11.646 5.186 0.606 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.057 6.904 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.918 6.919 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.494 8.041 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.061 8.577 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.086 7.815 1.346 1.00 0.00 H new ATOM 1666 N CYS A 110 -9.032 5.689 -2.437 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.883 4.931 -2.919 1.00 0.00 C ATOM 1668 C CYS A 110 -6.650 5.822 -3.028 1.00 0.00 C ATOM 1669 O CYS A 110 -6.573 6.691 -3.897 1.00 0.00 O ATOM 1670 CB CYS A 110 -8.194 4.303 -4.278 1.00 0.00 C ATOM 1671 SG CYS A 110 -7.091 2.944 -4.733 1.00 0.00 S ATOM 0 H CYS A 110 -9.431 6.331 -3.122 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.674 4.139 -2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -9.221 3.937 -4.271 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.137 5.075 -5.045 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.975 2.894 -6.027 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.687 5.601 -2.138 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.457 6.385 -2.133 1.00 0.00 C ATOM 1679 C HIS A 111 -3.348 5.662 -2.892 1.00 0.00 C ATOM 1680 O HIS A 111 -3.184 4.449 -2.765 1.00 0.00 O ATOM 1681 CB HIS A 111 -4.010 6.663 -0.697 1.00 0.00 C ATOM 1682 CG HIS A 111 -5.074 7.289 0.151 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.344 8.641 0.143 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.939 6.739 1.035 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -6.327 8.896 0.988 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.707 7.759 1.541 1.00 0.00 N ATOM 0 H HIS A 111 -5.735 4.886 -1.412 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.658 7.332 -2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.693 5.727 -0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -3.140 7.319 -0.717 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.012 5.693 1.294 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.748 9.869 1.192 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.450 7.655 2.232 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.591 6.416 -3.683 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.498 5.847 -4.463 1.00 0.00 C ATOM 1696 C VAL A 112 -0.152 6.395 -4.004 1.00 0.00 C ATOM 1697 O VAL A 112 -0.039 7.563 -3.632 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.672 6.135 -5.966 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.845 5.164 -6.795 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.140 6.065 -6.355 1.00 0.00 C ATOM 0 H VAL A 112 -2.714 7.422 -3.801 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.522 4.769 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.314 7.144 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.981 5.383 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.208 5.269 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.169 4.144 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.244 6.271 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.527 5.069 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.703 6.805 -5.786 1.00 0.00 H new ATOM 1710 N PHE A 113 0.869 5.544 -4.032 1.00 0.00 N ATOM 1711 CA PHE A 113 2.209 5.943 -3.618 1.00 0.00 C ATOM 1712 C PHE A 113 3.266 5.323 -4.528 1.00 0.00 C ATOM 1713 O PHE A 113 3.242 4.122 -4.796 1.00 0.00 O ATOM 1714 CB PHE A 113 2.462 5.528 -2.167 1.00 0.00 C ATOM 1715 CG PHE A 113 1.482 6.121 -1.195 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.240 5.539 -1.001 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.804 7.261 -0.475 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.664 6.082 -0.107 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.905 7.808 0.421 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.331 7.218 0.604 1.00 0.00 C ATOM 0 H PHE A 113 0.794 4.574 -4.337 1.00 0.00 H new ATOM 0 HA PHE A 113 2.279 7.028 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.420 4.441 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.471 5.827 -1.882 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.025 4.651 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.768 7.727 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.629 5.618 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 113 1.168 8.695 0.977 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.036 7.645 1.302 1.00 0.00 H new ATOM 1730 N TRP A 114 4.191 6.151 -4.999 1.00 0.00 N ATOM 1731 CA TRP A 114 5.257 5.685 -5.879 1.00 0.00 C ATOM 1732 C TRP A 114 6.465 5.223 -5.073 1.00 0.00 C ATOM 1733 O TRP A 114 7.038 5.992 -4.300 1.00 0.00 O ATOM 1734 CB TRP A 114 5.668 6.796 -6.847 1.00 0.00 C ATOM 1735 CG TRP A 114 6.741 6.379 -7.807 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.086 6.348 -7.571 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.558 5.936 -9.156 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.750 5.913 -8.692 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.836 5.652 -9.678 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.441 5.750 -9.974 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 8.023 5.194 -10.979 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.628 5.295 -11.265 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.911 5.020 -11.757 1.00 0.00 C ATOM 0 H TRP A 114 4.225 7.148 -4.787 1.00 0.00 H new ATOM 0 HA TRP A 114 4.879 4.837 -6.450 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.793 7.120 -7.410 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.016 7.656 -6.275 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.558 6.625 -6.640 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.760 5.802 -8.776 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.448 5.958 -9.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 9.011 4.983 -11.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.771 5.149 -11.906 1.00 0.00 H new ATOM 0 HH2 TRP A 114 7.024 4.664 -12.770 1.00 0.00 H new ATOM 1754 N CYS A 115 6.847 3.964 -5.257 1.00 0.00 N ATOM 1755 CA CYS A 115 7.989 3.399 -4.546 1.00 0.00 C ATOM 1756 C CYS A 115 9.249 3.463 -5.402 1.00 0.00 C ATOM 1757 O CYS A 115 9.201 3.864 -6.565 1.00 0.00 O ATOM 1758 CB CYS A 115 7.701 1.951 -4.147 1.00 0.00 C ATOM 1759 SG CYS A 115 6.231 1.747 -3.115 1.00 0.00 S ATOM 0 H CYS A 115 6.383 3.315 -5.892 1.00 0.00 H new ATOM 0 HA CYS A 115 8.154 3.991 -3.646 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.583 1.353 -5.051 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.564 1.554 -3.613 1.00 0.00 H new ATOM 0 HG CYS A 115 5.191 1.560 -3.873 1.00 0.00 H new ATOM 1765 N GLU A 116 10.376 3.068 -4.818 1.00 0.00 N ATOM 1766 CA GLU A 116 11.650 3.083 -5.528 1.00 0.00 C ATOM 1767 C GLU A 116 12.652 2.142 -4.867 1.00 0.00 C ATOM 1768 O GLU A 116 12.917 2.220 -3.667 1.00 0.00 O ATOM 1769 CB GLU A 116 12.218 4.503 -5.571 1.00 0.00 C ATOM 1770 CG GLU A 116 11.445 5.441 -6.483 1.00 0.00 C ATOM 1771 CD GLU A 116 12.261 6.646 -6.908 1.00 0.00 C ATOM 1772 OE1 GLU A 116 13.224 6.993 -6.193 1.00 0.00 O ATOM 1773 OE2 GLU A 116 11.936 7.242 -7.956 1.00 0.00 O ATOM 0 H GLU A 116 10.433 2.734 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 116 11.473 2.739 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.223 4.914 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.255 4.460 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.122 4.895 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.544 5.779 -5.971 1.00 0.00 H new ATOM 1780 N PRO A 117 13.224 1.230 -5.667 1.00 0.00 N ATOM 1781 CA PRO A 117 12.916 1.127 -7.096 1.00 0.00 C ATOM 1782 C PRO A 117 11.504 0.608 -7.349 1.00 0.00 C ATOM 1783 O PRO A 117 10.743 1.200 -8.113 1.00 0.00 O ATOM 1784 CB PRO A 117 13.953 0.126 -7.611 1.00 0.00 C ATOM 1785 CG PRO A 117 14.312 -0.694 -6.421 1.00 0.00 C ATOM 1786 CD PRO A 117 14.214 0.228 -5.237 1.00 0.00 C ATOM 0 HA PRO A 117 12.956 2.097 -7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.543 -0.493 -8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.826 0.635 -8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.635 -1.541 -6.313 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.319 -1.100 -6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.888 -0.301 -4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 117 15.175 0.687 -5.004 1.00 0.00 H new ATOM 1794 N ASN A 118 11.161 -0.501 -6.702 1.00 0.00 N ATOM 1795 CA ASN A 118 9.840 -1.099 -6.858 1.00 0.00 C ATOM 1796 C ASN A 118 9.048 -1.013 -5.557 1.00 0.00 C ATOM 1797 O ASN A 118 9.551 -0.533 -4.542 1.00 0.00 O ATOM 1798 CB ASN A 118 9.967 -2.559 -7.295 1.00 0.00 C ATOM 1799 CG ASN A 118 11.234 -3.211 -6.776 1.00 0.00 C ATOM 1800 OD1 ASN A 118 11.979 -3.836 -7.531 1.00 0.00 O ATOM 1801 ND2 ASN A 118 11.484 -3.068 -5.479 1.00 0.00 N ATOM 0 H ASN A 118 11.779 -1.004 -6.065 1.00 0.00 H new ATOM 0 HA ASN A 118 9.304 -0.542 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 118 9.102 -3.118 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.954 -2.612 -8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 118 12.321 -3.485 -5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 118 10.839 -2.541 -4.890 1.00 0.00 H new ATOM 1808 N ALA A 119 7.806 -1.484 -5.595 1.00 0.00 N ATOM 1809 CA ALA A 119 6.944 -1.463 -4.419 1.00 0.00 C ATOM 1810 C ALA A 119 6.934 -2.820 -3.722 1.00 0.00 C ATOM 1811 O ALA A 119 5.932 -3.215 -3.127 1.00 0.00 O ATOM 1812 CB ALA A 119 5.531 -1.057 -4.808 1.00 0.00 C ATOM 0 H ALA A 119 7.374 -1.885 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 119 7.342 -0.727 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.898 -1.046 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.548 -0.063 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.132 -1.771 -5.528 1.00 0.00 H new ATOM 1818 N ALA A 120 8.056 -3.529 -3.801 1.00 0.00 N ATOM 1819 CA ALA A 120 8.176 -4.840 -3.177 1.00 0.00 C ATOM 1820 C ALA A 120 8.135 -4.730 -1.657 1.00 0.00 C ATOM 1821 O ALA A 120 7.147 -5.102 -1.025 1.00 0.00 O ATOM 1822 CB ALA A 120 9.460 -5.522 -3.624 1.00 0.00 C ATOM 0 H ALA A 120 8.894 -3.217 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 120 7.327 -5.445 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.536 -6.501 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.449 -5.643 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.316 -4.911 -3.336 1.00 0.00 H new ATOM 1828 N ASN A 121 9.215 -4.218 -1.076 1.00 0.00 N ATOM 1829 CA ASN A 121 9.302 -4.061 0.371 1.00 0.00 C ATOM 1830 C ASN A 121 8.030 -3.429 0.928 1.00 0.00 C ATOM 1831 O ASN A 121 7.509 -3.860 1.957 1.00 0.00 O ATOM 1832 CB ASN A 121 10.514 -3.202 0.740 1.00 0.00 C ATOM 1833 CG ASN A 121 11.828 -3.908 0.463 1.00 0.00 C ATOM 1834 OD1 ASN A 121 12.376 -4.585 1.333 1.00 0.00 O ATOM 1835 ND2 ASN A 121 12.339 -3.751 -0.752 1.00 0.00 N ATOM 0 H ASN A 121 10.042 -3.905 -1.585 1.00 0.00 H new ATOM 0 HA ASN A 121 9.418 -5.051 0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.480 -2.269 0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.462 -2.939 1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 121 13.221 -4.201 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.849 -3.180 -1.441 1.00 0.00 H new ATOM 1842 N VAL A 122 7.534 -2.405 0.240 1.00 0.00 N ATOM 1843 CA VAL A 122 6.322 -1.715 0.663 1.00 0.00 C ATOM 1844 C VAL A 122 5.130 -2.665 0.693 1.00 0.00 C ATOM 1845 O VAL A 122 4.576 -2.951 1.755 1.00 0.00 O ATOM 1846 CB VAL A 122 5.997 -0.530 -0.265 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.688 0.127 0.145 1.00 0.00 C ATOM 1848 CG2 VAL A 122 7.135 0.479 -0.259 1.00 0.00 C ATOM 0 H VAL A 122 7.954 -2.035 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 122 6.508 -1.338 1.669 1.00 0.00 H new ATOM 0 HB VAL A 122 5.883 -0.908 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.475 0.962 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.880 -0.602 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.769 0.492 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.888 1.310 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.284 0.853 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.049 -0.002 -0.606 1.00 0.00 H new ATOM 1858 N SER A 123 4.740 -3.153 -0.481 1.00 0.00 N ATOM 1859 CA SER A 123 3.611 -4.069 -0.590 1.00 0.00 C ATOM 1860 C SER A 123 3.857 -5.335 0.225 1.00 0.00 C ATOM 1861 O SER A 123 2.922 -6.058 0.566 1.00 0.00 O ATOM 1862 CB SER A 123 3.363 -4.433 -2.056 1.00 0.00 C ATOM 1863 OG SER A 123 2.901 -3.312 -2.788 1.00 0.00 O ATOM 0 H SER A 123 5.189 -2.929 -1.369 1.00 0.00 H new ATOM 0 HA SER A 123 2.729 -3.568 -0.192 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.284 -4.808 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.630 -5.237 -2.115 1.00 0.00 H new ATOM 0 HG SER A 123 2.224 -2.836 -2.264 1.00 0.00 H new ATOM 1869 N GLU A 124 5.124 -5.595 0.534 1.00 0.00 N ATOM 1870 CA GLU A 124 5.494 -6.774 1.308 1.00 0.00 C ATOM 1871 C GLU A 124 5.140 -6.590 2.781 1.00 0.00 C ATOM 1872 O GLU A 124 4.740 -7.537 3.457 1.00 0.00 O ATOM 1873 CB GLU A 124 6.991 -7.058 1.163 1.00 0.00 C ATOM 1874 CG GLU A 124 7.496 -8.148 2.093 1.00 0.00 C ATOM 1875 CD GLU A 124 9.007 -8.280 2.071 1.00 0.00 C ATOM 1876 OE1 GLU A 124 9.694 -7.273 2.342 1.00 0.00 O ATOM 1877 OE2 GLU A 124 9.502 -9.389 1.782 1.00 0.00 O ATOM 0 H GLU A 124 5.910 -5.006 0.260 1.00 0.00 H new ATOM 0 HA GLU A 124 4.932 -7.623 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.200 -7.346 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.547 -6.141 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.169 -7.933 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.048 -9.100 1.808 1.00 0.00 H new ATOM 1884 N ALA A 125 5.293 -5.364 3.272 1.00 0.00 N ATOM 1885 CA ALA A 125 4.988 -5.055 4.663 1.00 0.00 C ATOM 1886 C ALA A 125 3.492 -5.163 4.935 1.00 0.00 C ATOM 1887 O ALA A 125 3.070 -5.810 5.894 1.00 0.00 O ATOM 1888 CB ALA A 125 5.492 -3.663 5.017 1.00 0.00 C ATOM 0 H ALA A 125 5.626 -4.569 2.727 1.00 0.00 H new ATOM 0 HA ALA A 125 5.498 -5.785 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.257 -3.445 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.571 -3.619 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.009 -2.927 4.375 1.00 0.00 H new ATOM 1894 N VAL A 126 2.693 -4.524 4.086 1.00 0.00 N ATOM 1895 CA VAL A 126 1.243 -4.549 4.235 1.00 0.00 C ATOM 1896 C VAL A 126 0.700 -5.967 4.094 1.00 0.00 C ATOM 1897 O VAL A 126 -0.188 -6.378 4.840 1.00 0.00 O ATOM 1898 CB VAL A 126 0.557 -3.643 3.195 1.00 0.00 C ATOM 1899 CG1 VAL A 126 1.054 -3.965 1.795 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.955 -3.786 3.280 1.00 0.00 C ATOM 0 H VAL A 126 3.026 -3.983 3.288 1.00 0.00 H new ATOM 0 HA VAL A 126 1.021 -4.176 5.235 1.00 0.00 H new ATOM 0 HB VAL A 126 0.814 -2.607 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.558 -3.315 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.131 -3.806 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.830 -5.005 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.424 -3.139 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.234 -4.822 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.292 -3.500 4.276 1.00 0.00 H new ATOM 1910 N GLN A 127 1.240 -6.708 3.133 1.00 0.00 N ATOM 1911 CA GLN A 127 0.810 -8.081 2.894 1.00 0.00 C ATOM 1912 C GLN A 127 0.821 -8.888 4.188 1.00 0.00 C ATOM 1913 O GLN A 127 -0.162 -9.542 4.532 1.00 0.00 O ATOM 1914 CB GLN A 127 1.712 -8.748 1.855 1.00 0.00 C ATOM 1915 CG GLN A 127 1.480 -10.244 1.718 1.00 0.00 C ATOM 1916 CD GLN A 127 0.365 -10.575 0.747 1.00 0.00 C ATOM 1917 OE1 GLN A 127 -0.534 -11.357 1.059 1.00 0.00 O ATOM 1918 NE2 GLN A 127 0.416 -9.980 -0.439 1.00 0.00 N ATOM 0 H GLN A 127 1.976 -6.381 2.507 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.211 -8.054 2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 127 1.550 -8.274 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 127 2.754 -8.574 2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 127 2.401 -10.722 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 127 1.241 -10.662 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 127 1.179 -9.339 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -0.308 -10.164 -1.133 1.00 0.00 H new ATOM 1927 N ALA A 128 1.942 -8.837 4.902 1.00 0.00 N ATOM 1928 CA ALA A 128 2.081 -9.561 6.159 1.00 0.00 C ATOM 1929 C ALA A 128 1.315 -8.868 7.280 1.00 0.00 C ATOM 1930 O ALA A 128 0.863 -9.512 8.226 1.00 0.00 O ATOM 1931 CB ALA A 128 3.550 -9.700 6.528 1.00 0.00 C ATOM 0 H ALA A 128 2.767 -8.302 4.630 1.00 0.00 H new ATOM 0 HA ALA A 128 1.656 -10.556 6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.639 -10.243 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.072 -10.247 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.993 -8.710 6.637 1.00 0.00 H new ATOM 1937 N ALA A 129 1.173 -7.551 7.167 1.00 0.00 N ATOM 1938 CA ALA A 129 0.461 -6.771 8.171 1.00 0.00 C ATOM 1939 C ALA A 129 -0.870 -7.423 8.531 1.00 0.00 C ATOM 1940 O ALA A 129 -1.221 -7.532 9.706 1.00 0.00 O ATOM 1941 CB ALA A 129 0.237 -5.350 7.674 1.00 0.00 C ATOM 0 H ALA A 129 1.542 -7.003 6.390 1.00 0.00 H new ATOM 0 HA ALA A 129 1.075 -6.737 9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.296 -4.779 8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.199 -4.879 7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.353 -5.374 6.758 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.606 -7.855 7.513 1.00 0.00 N ATOM 1948 CA CYS A 130 -2.900 -8.496 7.722 1.00 0.00 C ATOM 1949 C CYS A 130 -2.783 -9.643 8.720 1.00 0.00 C ATOM 1950 O CYS A 130 -3.429 -9.635 9.768 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.456 -9.013 6.395 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.728 -7.724 5.156 1.00 0.00 S ATOM 0 H CYS A 130 -1.329 -7.773 6.535 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.585 -7.753 8.129 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -2.767 -9.753 5.988 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.399 -9.526 6.584 1.00 0.00 H new ATOM 0 HG CYS A 130 -4.408 -8.214 4.162 1.00 0.00 H new ATOM 2337 N HIS A 163 5.610 -12.022 -5.985 1.00 0.00 N ATOM 2338 CA HIS A 163 4.707 -11.217 -5.169 1.00 0.00 C ATOM 2339 C HIS A 163 4.250 -9.975 -5.929 1.00 0.00 C ATOM 2340 O HIS A 163 3.065 -9.820 -6.229 1.00 0.00 O ATOM 2341 CB HIS A 163 5.393 -10.808 -3.865 1.00 0.00 C ATOM 2342 CG HIS A 163 4.789 -9.595 -3.226 1.00 0.00 C ATOM 2343 ND1 HIS A 163 3.618 -9.632 -2.499 1.00 0.00 N ATOM 2344 CD2 HIS A 163 5.201 -8.306 -3.207 1.00 0.00 C ATOM 2345 CE1 HIS A 163 3.335 -8.418 -2.061 1.00 0.00 C ATOM 2346 NE2 HIS A 163 4.281 -7.595 -2.477 1.00 0.00 N ATOM 0 HA HIS A 163 3.830 -11.821 -4.936 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.346 -11.640 -3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.448 -10.617 -4.063 1.00 0.00 H new ATOM 0 HD1 HIS A 163 3.058 -10.467 -2.326 1.00 0.00 H new ATOM 0 HD2 HIS A 163 6.088 -7.910 -3.678 1.00 0.00 H new ATOM 0 HE1 HIS A 163 2.477 -8.145 -1.465 1.00 0.00 H new ATOM 2354 N LEU A 164 5.195 -9.094 -6.236 1.00 0.00 N ATOM 2355 CA LEU A 164 4.889 -7.865 -6.960 1.00 0.00 C ATOM 2356 C LEU A 164 3.796 -8.102 -7.997 1.00 0.00 C ATOM 2357 O LEU A 164 2.868 -7.304 -8.129 1.00 0.00 O ATOM 2358 CB LEU A 164 6.147 -7.325 -7.642 1.00 0.00 C ATOM 2359 CG LEU A 164 7.116 -6.551 -6.747 1.00 0.00 C ATOM 2360 CD1 LEU A 164 8.536 -6.654 -7.284 1.00 0.00 C ATOM 2361 CD2 LEU A 164 6.691 -5.095 -6.635 1.00 0.00 C ATOM 0 H LEU A 164 6.180 -9.207 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 164 4.529 -7.129 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.684 -8.164 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.841 -6.674 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 164 7.093 -6.993 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 164 9.212 -6.097 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.839 -7.701 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.575 -6.238 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 164 7.392 -4.560 -5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 164 6.685 -4.641 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.691 -5.040 -6.204 1.00 0.00 H new ATOM 2373 N SER A 165 3.911 -9.205 -8.730 1.00 0.00 N ATOM 2374 CA SER A 165 2.934 -9.546 -9.756 1.00 0.00 C ATOM 2375 C SER A 165 1.603 -9.948 -9.127 1.00 0.00 C ATOM 2376 O SER A 165 0.546 -9.442 -9.505 1.00 0.00 O ATOM 2377 CB SER A 165 3.460 -10.683 -10.634 1.00 0.00 C ATOM 2378 OG SER A 165 4.316 -10.190 -11.649 1.00 0.00 O ATOM 0 H SER A 165 4.672 -9.878 -8.632 1.00 0.00 H new ATOM 0 HA SER A 165 2.772 -8.664 -10.375 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.999 -11.403 -10.018 1.00 0.00 H new ATOM 0 HB3 SER A 165 2.623 -11.214 -11.087 1.00 0.00 H new ATOM 0 HG SER A 165 4.640 -10.937 -12.195 1.00 0.00 H new ATOM 2384 N LYS A 166 1.663 -10.863 -8.165 1.00 0.00 N ATOM 2385 CA LYS A 166 0.465 -11.334 -7.481 1.00 0.00 C ATOM 2386 C LYS A 166 -0.405 -10.162 -7.037 1.00 0.00 C ATOM 2387 O LYS A 166 -1.620 -10.296 -6.900 1.00 0.00 O ATOM 2388 CB LYS A 166 0.846 -12.187 -6.269 1.00 0.00 C ATOM 2389 CG LYS A 166 0.987 -13.666 -6.586 1.00 0.00 C ATOM 2390 CD LYS A 166 0.962 -14.511 -5.324 1.00 0.00 C ATOM 2391 CE LYS A 166 2.353 -14.668 -4.731 1.00 0.00 C ATOM 2392 NZ LYS A 166 2.456 -15.878 -3.869 1.00 0.00 N ATOM 0 H LYS A 166 2.529 -11.293 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 166 -0.106 -11.943 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.787 -11.821 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 166 0.090 -12.061 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 166 0.179 -13.976 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 166 1.921 -13.837 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 166 0.302 -14.050 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 166 0.549 -15.494 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 166 3.086 -14.732 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 166 2.600 -13.783 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 3.420 -15.949 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 1.775 -15.806 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 2.246 -16.726 -4.434 1.00 0.00 H new ATOM 2406 N MET A 167 0.226 -9.013 -6.817 1.00 0.00 N ATOM 2407 CA MET A 167 -0.491 -7.817 -6.391 1.00 0.00 C ATOM 2408 C MET A 167 -1.268 -7.207 -7.554 1.00 0.00 C ATOM 2409 O MET A 167 -2.463 -6.935 -7.438 1.00 0.00 O ATOM 2410 CB MET A 167 0.485 -6.787 -5.819 1.00 0.00 C ATOM 2411 CG MET A 167 1.422 -7.358 -4.767 1.00 0.00 C ATOM 2412 SD MET A 167 0.547 -8.236 -3.458 1.00 0.00 S ATOM 2413 CE MET A 167 -0.203 -6.869 -2.576 1.00 0.00 C ATOM 0 H MET A 167 1.232 -8.885 -6.927 1.00 0.00 H new ATOM 0 HA MET A 167 -1.199 -8.105 -5.614 1.00 0.00 H new ATOM 0 HB2 MET A 167 1.077 -6.368 -6.633 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.082 -5.965 -5.382 1.00 0.00 H new ATOM 0 HG2 MET A 167 2.128 -8.037 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 167 2.006 -6.549 -4.329 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.422 -7.173 -1.552 1.00 0.00 H new ATOM 0 HE2 MET A 167 0.484 -6.023 -2.564 1.00 0.00 H new ATOM 0 HE3 MET A 167 -1.128 -6.578 -3.074 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.582 -6.994 -8.672 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.209 -6.415 -9.854 1.00 0.00 C ATOM 2425 C GLN A 168 -1.997 -7.470 -10.624 1.00 0.00 C ATOM 2426 O GLN A 168 -2.717 -7.151 -11.569 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.151 -5.788 -10.763 1.00 0.00 C ATOM 2428 CG GLN A 168 0.859 -6.789 -11.301 1.00 0.00 C ATOM 2429 CD GLN A 168 1.740 -6.203 -12.387 1.00 0.00 C ATOM 2430 OE1 GLN A 168 2.105 -6.887 -13.343 1.00 0.00 O ATOM 2431 NE2 GLN A 168 2.086 -4.929 -12.245 1.00 0.00 N ATOM 0 H GLN A 168 0.408 -7.214 -8.784 1.00 0.00 H new ATOM 0 HA GLN A 168 -1.901 -5.640 -9.524 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -0.648 -5.299 -11.601 1.00 0.00 H new ATOM 0 HB3 GLN A 168 0.378 -5.012 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 168 1.485 -7.143 -10.482 1.00 0.00 H new ATOM 0 HG3 GLN A 168 0.330 -7.656 -11.696 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.761 -4.399 -11.436 1.00 0.00 H new ATOM 0 HE22 GLN A 168 2.677 -4.480 -12.945 1.00 0.00 H new ATOM 2440 N GLN A 169 -1.855 -8.725 -10.212 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.554 -9.826 -10.864 1.00 0.00 C ATOM 2442 C GLN A 169 -3.983 -9.947 -10.346 1.00 0.00 C ATOM 2443 O GLN A 169 -4.942 -9.773 -11.097 1.00 0.00 O ATOM 2444 CB GLN A 169 -1.804 -11.140 -10.637 1.00 0.00 C ATOM 2445 CG GLN A 169 -0.764 -11.440 -11.705 1.00 0.00 C ATOM 2446 CD GLN A 169 -0.480 -12.922 -11.843 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -0.496 -13.663 -10.860 1.00 0.00 O ATOM 2448 NE2 GLN A 169 -0.217 -13.363 -13.068 1.00 0.00 N ATOM 0 H GLN A 169 -1.263 -9.005 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 169 -2.591 -9.617 -11.933 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.314 -11.105 -9.664 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -2.524 -11.958 -10.603 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.109 -11.049 -12.662 1.00 0.00 H new ATOM 0 HG3 GLN A 169 0.161 -10.918 -11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 169 -0.214 -12.713 -13.854 1.00 0.00 H new ATOM 0 HE22 GLN A 169 -0.018 -14.351 -13.222 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.117 -10.247 -9.058 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.430 -10.392 -8.440 1.00 0.00 C ATOM 2459 C ASN A 170 -5.558 -9.490 -7.216 1.00 0.00 C ATOM 2460 O ASN A 170 -6.658 -9.084 -6.844 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.671 -11.849 -8.041 1.00 0.00 C ATOM 2462 CG ASN A 170 -5.625 -12.789 -9.230 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -6.653 -13.089 -9.839 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -4.430 -13.260 -9.567 1.00 0.00 N ATOM 0 H ASN A 170 -3.333 -10.394 -8.422 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.182 -10.093 -9.170 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -4.919 -12.152 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -6.642 -11.933 -7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -4.337 -13.897 -10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.605 -12.985 -9.034 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.424 -9.181 -6.595 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.430 -8.329 -5.420 1.00 0.00 C ATOM 2473 C GLY A 171 -4.724 -9.099 -4.147 1.00 0.00 C ATOM 2474 O GLY A 171 -4.797 -10.328 -4.160 1.00 0.00 O ATOM 0 H GLY A 171 -3.501 -9.505 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.462 -7.836 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -5.176 -7.545 -5.547 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.891 -8.375 -3.046 1.00 0.00 N ATOM 2479 CA TYR A 172 -5.175 -8.998 -1.758 1.00 0.00 C ATOM 2480 C TYR A 172 -6.494 -8.490 -1.186 1.00 0.00 C ATOM 2481 O TYR A 172 -6.530 -7.486 -0.476 1.00 0.00 O ATOM 2482 CB TYR A 172 -4.038 -8.720 -0.773 1.00 0.00 C ATOM 2483 CG TYR A 172 -4.085 -9.587 0.465 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -5.095 -9.433 1.407 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -3.120 -10.560 0.693 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -5.141 -10.222 2.540 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -3.159 -11.355 1.822 1.00 0.00 C ATOM 2488 CZ TYR A 172 -4.171 -11.182 2.743 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.214 -11.971 3.870 1.00 0.00 O ATOM 0 H TYR A 172 -4.835 -7.357 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.258 -10.074 -1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -3.085 -8.874 -1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -4.075 -7.672 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -5.857 -8.684 1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -2.325 -10.697 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -5.932 -10.088 3.263 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -2.401 -12.108 1.983 1.00 0.00 H new ATOM 0 HH TYR A 172 -3.460 -12.597 3.860 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.578 -9.193 -1.501 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.901 -8.814 -1.018 1.00 0.00 C ATOM 2501 C GLU A 173 -9.018 -9.045 0.485 1.00 0.00 C ATOM 2502 O GLU A 173 -8.954 -10.180 0.956 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.983 -9.607 -1.754 1.00 0.00 C ATOM 2504 CG GLU A 173 -11.238 -8.801 -2.043 1.00 0.00 C ATOM 2505 CD GLU A 173 -12.278 -8.928 -0.947 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -12.749 -10.059 -0.705 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -12.623 -7.897 -0.333 1.00 0.00 O ATOM 0 H GLU A 173 -7.566 -10.027 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 173 -9.042 -7.751 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.574 -9.977 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.251 -10.479 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.971 -7.751 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -11.669 -9.133 -2.988 1.00 0.00 H new ATOM 2514 N ASN A 174 -9.191 -7.960 1.233 1.00 0.00 N ATOM 2515 CA ASN A 174 -9.317 -8.044 2.684 1.00 0.00 C ATOM 2516 C ASN A 174 -10.480 -8.949 3.078 1.00 0.00 C ATOM 2517 O ASN A 174 -11.650 -8.613 2.892 1.00 0.00 O ATOM 2518 CB ASN A 174 -9.515 -6.650 3.281 1.00 0.00 C ATOM 2519 CG ASN A 174 -9.056 -6.567 4.724 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -8.272 -7.397 5.185 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -9.543 -5.564 5.444 1.00 0.00 N ATOM 0 H ASN A 174 -9.247 -7.013 0.859 1.00 0.00 H new ATOM 0 HA ASN A 174 -8.396 -8.473 3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.965 -5.921 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -10.569 -6.379 3.222 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -9.270 -5.458 6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -10.190 -4.899 5.020 1.00 0.00 H new