USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 GLN : amide:sc= -0.168 K(o=-0.85,f=-1.9) USER MOD Set 1.2: A 163 HIS : no HE2:sc= -0.685 X(o=-0.85,f=-0.57) USER MOD Set 2.1: A 17 LYS NZ :NH3+ -155:sc= -0.471 (180deg=-0.277) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.0458 X(o=-0.52,f=-0.23) USER MOD Single : A 16 GLN : amide:sc= -5.46! C(o=-5.5!,f=-4!) USER MOD Single : A 21 GLN : amide:sc= 0.311 X(o=0.31,f=-0.0048) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 143:sc= -0.0599 (180deg=-0.245) USER MOD Single : A 34 MET CE :methyl 159:sc= -3.05 (180deg=-4.84!) USER MOD Single : A 36 THR OG1 : rot -120:sc= -0.281 USER MOD Single : A 38 ASN : amide:sc= 0.111 K(o=0.11,f=-0.52) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.1!) USER MOD Single : A 45 MET CE :methyl 178:sc= -0.347 (180deg=-0.365) USER MOD Single : A 46 THR OG1 : rot -73:sc= 0.756 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 34:sc= 0.127 USER MOD Single : A 58 MET CE :methyl -118:sc= -5.2 (180deg=-6.8!) USER MOD Single : A 59 ASN : amide:sc= -6.46! C(o=-6.5!,f=-6.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.356 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 X(o=0,f=-0.0011) USER MOD Single : A 80 CYS SG : rot 179:sc= -3.3! USER MOD Single : A 86 SER OG : rot -100:sc= 0.152 USER MOD Single : A 88 MET CE :methyl -142:sc= -1.28 (180deg=-2.71) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -2.86! X(o=-2.9!,f=-3.1) USER MOD Single : A 96 THR OG1 : rot -74:sc= 1.22 USER MOD Single : A 101 MET CE :methyl 180:sc=-0.00599 (180deg=-0.00599) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -71:sc= -0.117 USER MOD Single : A 111 HIS : no HD1:sc= -3.3! K(o=-3.3!,f=-2.4) USER MOD Single : A 115 CYS SG : rot 180:sc= -0.264 USER MOD Single : A 118 ASN : amide:sc= -0.724 K(o=-0.72,f=-0.058) USER MOD Single : A 121 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 123 SER OG : rot -40:sc= 0.111 USER MOD Single : A 130 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.184) USER MOD Single : A 167 MET CE :methyl 166:sc= 0 (180deg=-0.165) USER MOD Single : A 168 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.2!) USER MOD Single : A 169 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 170 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.5) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -1.24! C(o=-1.2!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.491 1.237 14.329 1.00 0.00 N ATOM 179 CA VAL A 15 6.916 1.130 12.993 1.00 0.00 C ATOM 180 C VAL A 15 7.981 1.324 11.919 1.00 0.00 C ATOM 181 O VAL A 15 8.993 1.986 12.148 1.00 0.00 O ATOM 182 CB VAL A 15 5.795 2.165 12.781 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.352 3.579 12.852 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.094 1.925 11.452 1.00 0.00 C ATOM 0 HA VAL A 15 6.497 0.127 12.908 1.00 0.00 H new ATOM 0 HB VAL A 15 5.062 2.049 13.579 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.545 4.296 12.700 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.804 3.743 13.830 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.107 3.712 12.077 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.305 2.665 11.318 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.815 2.012 10.639 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.659 0.926 11.445 1.00 0.00 H new ATOM 194 N GLN A 16 7.745 0.742 10.748 1.00 0.00 N ATOM 195 CA GLN A 16 8.685 0.851 9.638 1.00 0.00 C ATOM 196 C GLN A 16 8.266 1.959 8.677 1.00 0.00 C ATOM 197 O GLN A 16 7.095 2.073 8.316 1.00 0.00 O ATOM 198 CB GLN A 16 8.780 -0.480 8.891 1.00 0.00 C ATOM 199 CG GLN A 16 7.806 -0.597 7.729 1.00 0.00 C ATOM 200 CD GLN A 16 7.492 -2.036 7.374 1.00 0.00 C ATOM 201 OE1 GLN A 16 8.347 -2.764 6.867 1.00 0.00 O ATOM 202 NE2 GLN A 16 6.260 -2.456 7.638 1.00 0.00 N ATOM 0 H GLN A 16 6.912 0.191 10.543 1.00 0.00 H new ATOM 0 HA GLN A 16 9.664 1.101 10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.796 -0.605 8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.596 -1.294 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.881 -0.079 7.982 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.225 -0.095 6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.583 -1.819 8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.991 -3.415 7.420 1.00 0.00 H new ATOM 211 N LYS A 17 9.231 2.774 8.266 1.00 0.00 N ATOM 212 CA LYS A 17 8.965 3.873 7.345 1.00 0.00 C ATOM 213 C LYS A 17 9.648 3.636 6.002 1.00 0.00 C ATOM 214 O LYS A 17 10.787 3.172 5.947 1.00 0.00 O ATOM 215 CB LYS A 17 9.444 5.196 7.946 1.00 0.00 C ATOM 216 CG LYS A 17 8.806 5.522 9.286 1.00 0.00 C ATOM 217 CD LYS A 17 9.652 6.502 10.082 1.00 0.00 C ATOM 218 CE LYS A 17 9.394 7.938 9.653 1.00 0.00 C ATOM 219 NZ LYS A 17 10.277 8.347 8.527 1.00 0.00 N ATOM 0 H LYS A 17 10.206 2.694 8.556 1.00 0.00 H new ATOM 0 HA LYS A 17 7.889 3.924 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.527 5.159 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.229 6.003 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.814 5.944 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.673 4.605 9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.433 6.394 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.708 6.265 9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.351 8.046 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.554 8.605 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.394 9.380 8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.207 7.893 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.849 8.054 7.626 1.00 0.00 H new ATOM 233 N PHE A 18 8.945 3.958 4.921 1.00 0.00 N ATOM 234 CA PHE A 18 9.484 3.780 3.578 1.00 0.00 C ATOM 235 C PHE A 18 9.516 5.106 2.825 1.00 0.00 C ATOM 236 O PHE A 18 8.759 6.027 3.135 1.00 0.00 O ATOM 237 CB PHE A 18 8.649 2.759 2.801 1.00 0.00 C ATOM 238 CG PHE A 18 8.725 1.369 3.365 1.00 0.00 C ATOM 239 CD1 PHE A 18 9.860 0.595 3.187 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.660 0.837 4.074 1.00 0.00 C ATOM 241 CE1 PHE A 18 9.932 -0.684 3.705 1.00 0.00 C ATOM 242 CE2 PHE A 18 7.727 -0.442 4.595 1.00 0.00 C ATOM 243 CZ PHE A 18 8.864 -1.203 4.409 1.00 0.00 C ATOM 0 H PHE A 18 8.001 4.343 4.949 1.00 0.00 H new ATOM 0 HA PHE A 18 10.505 3.409 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.608 3.083 2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.985 2.741 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.698 0.996 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.768 1.428 4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.823 -1.277 3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.891 -0.845 5.147 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.918 -2.203 4.814 1.00 0.00 H new ATOM 253 N ARG A 19 10.398 5.197 1.834 1.00 0.00 N ATOM 254 CA ARG A 19 10.530 6.410 1.038 1.00 0.00 C ATOM 255 C ARG A 19 9.737 6.298 -0.261 1.00 0.00 C ATOM 256 O ARG A 19 10.115 5.559 -1.170 1.00 0.00 O ATOM 257 CB ARG A 19 12.003 6.682 0.726 1.00 0.00 C ATOM 258 CG ARG A 19 12.227 7.929 -0.114 1.00 0.00 C ATOM 259 CD ARG A 19 11.924 9.194 0.674 1.00 0.00 C ATOM 260 NE ARG A 19 12.999 9.530 1.604 1.00 0.00 N ATOM 261 CZ ARG A 19 14.184 9.992 1.221 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.445 10.171 -0.067 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.111 10.275 2.127 1.00 0.00 N ATOM 0 H ARG A 19 11.031 4.444 1.564 1.00 0.00 H new ATOM 0 HA ARG A 19 10.128 7.241 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.552 6.782 1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.420 5.822 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.260 7.954 -0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.593 7.891 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.770 10.023 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.994 9.063 1.227 1.00 0.00 H new ATOM 0 HE ARG A 19 12.831 9.403 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.735 9.954 -0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.356 10.526 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.914 10.138 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.021 10.630 1.832 1.00 0.00 H new ATOM 277 N VAL A 20 8.634 7.036 -0.340 1.00 0.00 N ATOM 278 CA VAL A 20 7.787 7.020 -1.526 1.00 0.00 C ATOM 279 C VAL A 20 7.198 8.399 -1.800 1.00 0.00 C ATOM 280 O VAL A 20 7.346 9.318 -0.995 1.00 0.00 O ATOM 281 CB VAL A 20 6.639 6.003 -1.382 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.189 4.595 -1.217 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.742 6.375 -0.211 1.00 0.00 C ATOM 0 H VAL A 20 8.306 7.652 0.404 1.00 0.00 H new ATOM 0 HA VAL A 20 8.420 6.726 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 20 6.039 6.028 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.363 3.891 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.785 4.333 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.814 4.551 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.936 5.646 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.327 6.380 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.319 7.366 -0.377 1.00 0.00 H new ATOM 293 N GLN A 21 6.531 8.536 -2.941 1.00 0.00 N ATOM 294 CA GLN A 21 5.920 9.804 -3.321 1.00 0.00 C ATOM 295 C GLN A 21 4.400 9.731 -3.211 1.00 0.00 C ATOM 296 O GLN A 21 3.817 8.647 -3.239 1.00 0.00 O ATOM 297 CB GLN A 21 6.322 10.181 -4.748 1.00 0.00 C ATOM 298 CG GLN A 21 7.726 10.754 -4.852 1.00 0.00 C ATOM 299 CD GLN A 21 8.171 10.951 -6.288 1.00 0.00 C ATOM 300 OE1 GLN A 21 8.926 10.145 -6.833 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.704 12.027 -6.911 1.00 0.00 N ATOM 0 H GLN A 21 6.400 7.785 -3.618 1.00 0.00 H new ATOM 0 HA GLN A 21 6.279 10.571 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.251 9.297 -5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.611 10.910 -5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.764 11.710 -4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.425 10.087 -4.347 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.080 12.669 -6.422 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.969 12.211 -7.879 1.00 0.00 H new ATOM 310 N TYR A 22 3.765 10.891 -3.086 1.00 0.00 N ATOM 311 CA TYR A 22 2.313 10.958 -2.969 1.00 0.00 C ATOM 312 C TYR A 22 1.692 11.552 -4.229 1.00 0.00 C ATOM 313 O TYR A 22 1.778 12.757 -4.470 1.00 0.00 O ATOM 314 CB TYR A 22 1.917 11.792 -1.750 1.00 0.00 C ATOM 315 CG TYR A 22 0.422 11.930 -1.570 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.433 10.873 -1.858 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.136 13.117 -1.112 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.800 10.995 -1.696 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.501 13.248 -0.946 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.329 12.184 -1.240 1.00 0.00 C ATOM 321 OH TYR A 22 -3.689 12.309 -1.076 1.00 0.00 O ATOM 0 H TYR A 22 4.232 11.797 -3.063 1.00 0.00 H new ATOM 0 HA TYR A 22 1.937 9.943 -2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.342 11.337 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.357 12.785 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.022 9.940 -2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.509 13.952 -0.882 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.450 10.164 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.918 14.178 -0.588 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.898 13.208 -0.747 1.00 0.00 H new ATOM 331 N LEU A 23 1.065 10.698 -5.031 1.00 0.00 N ATOM 332 CA LEU A 23 0.428 11.136 -6.268 1.00 0.00 C ATOM 333 C LEU A 23 -0.854 11.910 -5.975 1.00 0.00 C ATOM 334 O LEU A 23 -1.175 12.881 -6.659 1.00 0.00 O ATOM 335 CB LEU A 23 0.119 9.933 -7.160 1.00 0.00 C ATOM 336 CG LEU A 23 1.315 9.068 -7.559 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.632 8.059 -6.467 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.045 8.361 -8.879 1.00 0.00 C ATOM 0 H LEU A 23 0.984 9.698 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 23 1.119 11.798 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.605 9.301 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.362 10.294 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 23 2.181 9.717 -7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.486 7.452 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.870 8.586 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.768 7.414 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.907 7.750 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.166 7.724 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.868 9.102 -9.659 1.00 0.00 H new ATOM 350 N GLY A 24 -1.582 11.473 -4.952 1.00 0.00 N ATOM 351 CA GLY A 24 -2.820 12.137 -4.585 1.00 0.00 C ATOM 352 C GLY A 24 -3.893 11.161 -4.146 1.00 0.00 C ATOM 353 O GLY A 24 -3.640 9.962 -4.025 1.00 0.00 O ATOM 0 H GLY A 24 -1.337 10.671 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.624 12.844 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.184 12.715 -5.434 1.00 0.00 H new ATOM 357 N MET A 25 -5.094 11.674 -3.903 1.00 0.00 N ATOM 358 CA MET A 25 -6.210 10.839 -3.474 1.00 0.00 C ATOM 359 C MET A 25 -7.236 10.686 -4.591 1.00 0.00 C ATOM 360 O MET A 25 -7.530 11.640 -5.314 1.00 0.00 O ATOM 361 CB MET A 25 -6.875 11.438 -2.233 1.00 0.00 C ATOM 362 CG MET A 25 -8.008 10.589 -1.681 1.00 0.00 C ATOM 363 SD MET A 25 -9.216 11.558 -0.757 1.00 0.00 S ATOM 364 CE MET A 25 -10.249 12.169 -2.086 1.00 0.00 C ATOM 0 H MET A 25 -5.320 12.664 -3.996 1.00 0.00 H new ATOM 0 HA MET A 25 -5.819 9.852 -3.227 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.122 11.573 -1.457 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.260 12.428 -2.479 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.509 10.080 -2.504 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.595 9.816 -1.032 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.289 12.189 -1.759 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.935 13.177 -2.357 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.154 11.514 -2.952 1.00 0.00 H new ATOM 374 N LEU A 26 -7.779 9.481 -4.729 1.00 0.00 N ATOM 375 CA LEU A 26 -8.773 9.203 -5.760 1.00 0.00 C ATOM 376 C LEU A 26 -9.782 8.165 -5.278 1.00 0.00 C ATOM 377 O LEU A 26 -9.438 7.020 -4.984 1.00 0.00 O ATOM 378 CB LEU A 26 -8.089 8.712 -7.037 1.00 0.00 C ATOM 379 CG LEU A 26 -8.948 8.714 -8.302 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.233 7.932 -8.076 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.259 10.140 -8.733 1.00 0.00 C ATOM 0 H LEU A 26 -7.548 8.681 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.307 10.129 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.211 9.333 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.731 7.697 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.387 8.228 -9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.831 7.944 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.991 6.902 -7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.799 8.389 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.871 10.122 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.801 10.651 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.328 10.670 -8.937 1.00 0.00 H new ATOM 393 N PRO A 27 -11.057 8.572 -5.196 1.00 0.00 N ATOM 394 CA PRO A 27 -12.142 7.692 -4.753 1.00 0.00 C ATOM 395 C PRO A 27 -12.453 6.598 -5.770 1.00 0.00 C ATOM 396 O PRO A 27 -12.336 6.807 -6.977 1.00 0.00 O ATOM 397 CB PRO A 27 -13.333 8.642 -4.608 1.00 0.00 C ATOM 398 CG PRO A 27 -13.034 9.768 -5.536 1.00 0.00 C ATOM 399 CD PRO A 27 -11.538 9.923 -5.531 1.00 0.00 C ATOM 0 HA PRO A 27 -11.888 7.162 -3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.268 8.148 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.437 8.992 -3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.401 9.554 -6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.522 10.685 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.165 10.254 -6.500 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.213 10.659 -4.796 1.00 0.00 H new ATOM 407 N VAL A 28 -12.851 5.431 -5.273 1.00 0.00 N ATOM 408 CA VAL A 28 -13.181 4.305 -6.139 1.00 0.00 C ATOM 409 C VAL A 28 -14.678 4.017 -6.120 1.00 0.00 C ATOM 410 O VAL A 28 -15.375 4.366 -5.167 1.00 0.00 O ATOM 411 CB VAL A 28 -12.419 3.033 -5.719 1.00 0.00 C ATOM 412 CG1 VAL A 28 -10.918 3.247 -5.835 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.801 2.626 -4.304 1.00 0.00 C ATOM 0 H VAL A 28 -12.953 5.241 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.881 4.583 -7.149 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.699 2.223 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.397 2.338 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.663 3.487 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.617 4.070 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.254 1.726 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.552 3.432 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.872 2.428 -4.259 1.00 0.00 H new ATOM 423 N ASP A 29 -15.165 3.378 -7.177 1.00 0.00 N ATOM 424 CA ASP A 29 -16.580 3.041 -7.282 1.00 0.00 C ATOM 425 C ASP A 29 -16.899 1.781 -6.482 1.00 0.00 C ATOM 426 O ASP A 29 -17.980 1.658 -5.905 1.00 0.00 O ATOM 427 CB ASP A 29 -16.972 2.842 -8.747 1.00 0.00 C ATOM 428 CG ASP A 29 -18.348 2.225 -8.900 1.00 0.00 C ATOM 429 OD1 ASP A 29 -18.553 1.102 -8.396 1.00 0.00 O ATOM 430 OD2 ASP A 29 -19.220 2.866 -9.524 1.00 0.00 O ATOM 0 H ASP A 29 -14.601 3.083 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.157 3.869 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.949 3.804 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.235 2.204 -9.234 1.00 0.00 H new ATOM 435 N ARG A 30 -15.953 0.849 -6.454 1.00 0.00 N ATOM 436 CA ARG A 30 -16.134 -0.402 -5.727 1.00 0.00 C ATOM 437 C ARG A 30 -14.951 -0.670 -4.802 1.00 0.00 C ATOM 438 O ARG A 30 -13.821 -0.257 -5.063 1.00 0.00 O ATOM 439 CB ARG A 30 -16.304 -1.565 -6.706 1.00 0.00 C ATOM 440 CG ARG A 30 -15.425 -1.455 -7.941 1.00 0.00 C ATOM 441 CD ARG A 30 -16.036 -2.185 -9.126 1.00 0.00 C ATOM 442 NE ARG A 30 -17.424 -1.793 -9.354 1.00 0.00 N ATOM 443 CZ ARG A 30 -18.273 -2.494 -10.098 1.00 0.00 C ATOM 444 NH1 ARG A 30 -17.877 -3.616 -10.683 1.00 0.00 N ATOM 445 NH2 ARG A 30 -19.521 -2.072 -10.258 1.00 0.00 N ATOM 0 H ARG A 30 -15.053 0.936 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 30 -17.034 -0.313 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.077 -2.498 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.347 -1.618 -7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.281 -0.405 -8.194 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.440 -1.869 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.449 -1.978 -10.021 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.987 -3.260 -8.954 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.760 -0.934 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -16.918 -3.943 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.531 -4.152 -11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.829 -1.209 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.172 -2.611 -10.829 1.00 0.00 H new ATOM 459 N PRO A 31 -15.214 -1.377 -3.693 1.00 0.00 N ATOM 460 CA PRO A 31 -14.184 -1.716 -2.707 1.00 0.00 C ATOM 461 C PRO A 31 -13.186 -2.738 -3.239 1.00 0.00 C ATOM 462 O PRO A 31 -12.111 -2.926 -2.669 1.00 0.00 O ATOM 463 CB PRO A 31 -14.987 -2.308 -1.545 1.00 0.00 C ATOM 464 CG PRO A 31 -16.234 -2.827 -2.172 1.00 0.00 C ATOM 465 CD PRO A 31 -16.538 -1.901 -3.317 1.00 0.00 C ATOM 0 HA PRO A 31 -13.583 -0.849 -2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.434 -3.104 -1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.208 -1.553 -0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.098 -3.850 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.054 -2.843 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.012 -2.428 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.216 -1.102 -3.018 1.00 0.00 H new ATOM 473 N VAL A 32 -13.547 -3.396 -4.336 1.00 0.00 N ATOM 474 CA VAL A 32 -12.682 -4.398 -4.947 1.00 0.00 C ATOM 475 C VAL A 32 -12.770 -4.347 -6.468 1.00 0.00 C ATOM 476 O VAL A 32 -13.781 -3.924 -7.028 1.00 0.00 O ATOM 477 CB VAL A 32 -13.043 -5.817 -4.470 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.685 -5.995 -3.002 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.519 -6.098 -4.706 1.00 0.00 C ATOM 0 H VAL A 32 -14.433 -3.253 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.663 -4.167 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.463 -6.535 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.947 -7.004 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.615 -5.839 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.236 -5.270 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.757 -7.105 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -15.120 -5.375 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.739 -6.015 -5.770 1.00 0.00 H new ATOM 489 N GLY A 33 -11.703 -4.781 -7.132 1.00 0.00 N ATOM 490 CA GLY A 33 -11.680 -4.777 -8.583 1.00 0.00 C ATOM 491 C GLY A 33 -10.433 -4.120 -9.142 1.00 0.00 C ATOM 492 O GLY A 33 -10.377 -2.898 -9.281 1.00 0.00 O ATOM 0 H GLY A 33 -10.854 -5.135 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.741 -5.803 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.561 -4.254 -8.956 1.00 0.00 H new ATOM 496 N MET A 34 -9.431 -4.932 -9.461 1.00 0.00 N ATOM 497 CA MET A 34 -8.179 -4.421 -10.007 1.00 0.00 C ATOM 498 C MET A 34 -8.441 -3.348 -11.059 1.00 0.00 C ATOM 499 O MET A 34 -7.753 -2.329 -11.105 1.00 0.00 O ATOM 500 CB MET A 34 -7.361 -5.561 -10.617 1.00 0.00 C ATOM 501 CG MET A 34 -6.413 -6.225 -9.632 1.00 0.00 C ATOM 502 SD MET A 34 -4.796 -5.429 -9.580 1.00 0.00 S ATOM 503 CE MET A 34 -5.147 -4.016 -8.537 1.00 0.00 C ATOM 0 H MET A 34 -9.461 -5.946 -9.351 1.00 0.00 H new ATOM 0 HA MET A 34 -7.612 -3.973 -9.191 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.042 -6.313 -11.016 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.785 -5.174 -11.458 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.856 -6.204 -8.636 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.289 -7.273 -9.903 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.218 -3.642 -8.107 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.613 -3.231 -9.132 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.823 -4.314 -7.736 1.00 0.00 H new ATOM 513 N ASP A 35 -9.441 -3.585 -11.901 1.00 0.00 N ATOM 514 CA ASP A 35 -9.795 -2.638 -12.952 1.00 0.00 C ATOM 515 C ASP A 35 -10.095 -1.262 -12.366 1.00 0.00 C ATOM 516 O ASP A 35 -9.681 -0.238 -12.911 1.00 0.00 O ATOM 517 CB ASP A 35 -11.004 -3.145 -13.739 1.00 0.00 C ATOM 518 CG ASP A 35 -12.287 -3.082 -12.934 1.00 0.00 C ATOM 519 OD1 ASP A 35 -12.450 -3.909 -12.012 1.00 0.00 O ATOM 520 OD2 ASP A 35 -13.127 -2.205 -13.225 1.00 0.00 O ATOM 0 H ASP A 35 -10.020 -4.424 -11.876 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.944 -2.548 -13.627 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.118 -2.551 -14.646 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.825 -4.174 -14.052 1.00 0.00 H new ATOM 525 N THR A 36 -10.819 -1.244 -11.251 1.00 0.00 N ATOM 526 CA THR A 36 -11.177 0.005 -10.591 1.00 0.00 C ATOM 527 C THR A 36 -9.969 0.628 -9.901 1.00 0.00 C ATOM 528 O THR A 36 -9.749 1.837 -9.983 1.00 0.00 O ATOM 529 CB THR A 36 -12.294 -0.208 -9.553 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.509 -0.586 -10.210 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.525 1.056 -8.739 1.00 0.00 C ATOM 0 H THR A 36 -11.169 -2.082 -10.786 1.00 0.00 H new ATOM 0 HA THR A 36 -11.537 0.681 -11.367 1.00 0.00 H new ATOM 0 HB THR A 36 -11.983 -1.005 -8.877 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.206 0.074 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.319 0.881 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.607 1.325 -8.216 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.815 1.869 -9.404 1.00 0.00 H new ATOM 539 N LEU A 37 -9.188 -0.204 -9.221 1.00 0.00 N ATOM 540 CA LEU A 37 -8.000 0.265 -8.516 1.00 0.00 C ATOM 541 C LEU A 37 -7.065 1.011 -9.462 1.00 0.00 C ATOM 542 O LEU A 37 -6.537 2.069 -9.122 1.00 0.00 O ATOM 543 CB LEU A 37 -7.263 -0.913 -7.876 1.00 0.00 C ATOM 544 CG LEU A 37 -6.019 -0.563 -7.060 1.00 0.00 C ATOM 545 CD1 LEU A 37 -5.807 -1.579 -5.948 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.794 -0.492 -7.960 1.00 0.00 C ATOM 0 H LEU A 37 -9.356 -1.207 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.320 0.953 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.961 -1.443 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.972 -1.606 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.169 0.416 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.917 -1.314 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.674 -1.582 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.678 -2.571 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.917 -0.242 -7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.641 -1.457 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.945 0.274 -8.721 1.00 0.00 H new ATOM 558 N ASN A 38 -6.866 0.453 -10.652 1.00 0.00 N ATOM 559 CA ASN A 38 -5.995 1.066 -11.648 1.00 0.00 C ATOM 560 C ASN A 38 -6.626 2.335 -12.214 1.00 0.00 C ATOM 561 O ASN A 38 -5.948 3.344 -12.407 1.00 0.00 O ATOM 562 CB ASN A 38 -5.706 0.079 -12.780 1.00 0.00 C ATOM 563 CG ASN A 38 -4.499 -0.794 -12.492 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.426 -0.596 -13.061 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.671 -1.766 -11.604 1.00 0.00 N ATOM 0 H ASN A 38 -7.296 -0.423 -10.950 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.058 1.333 -11.160 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.579 -0.554 -12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.540 0.630 -13.705 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.895 -2.385 -11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.579 -1.893 -11.157 1.00 0.00 H new ATOM 572 N SER A 39 -7.927 2.276 -12.477 1.00 0.00 N ATOM 573 CA SER A 39 -8.650 3.419 -13.023 1.00 0.00 C ATOM 574 C SER A 39 -8.446 4.656 -12.154 1.00 0.00 C ATOM 575 O SER A 39 -8.680 5.782 -12.593 1.00 0.00 O ATOM 576 CB SER A 39 -10.142 3.100 -13.135 1.00 0.00 C ATOM 577 OG SER A 39 -10.817 4.083 -13.901 1.00 0.00 O ATOM 0 H SER A 39 -8.503 1.449 -12.321 1.00 0.00 H new ATOM 0 HA SER A 39 -8.255 3.626 -14.018 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.274 2.121 -13.596 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.581 3.045 -12.139 1.00 0.00 H new ATOM 0 HG SER A 39 -11.769 3.856 -13.959 1.00 0.00 H new ATOM 583 N ALA A 40 -8.009 4.438 -10.918 1.00 0.00 N ATOM 584 CA ALA A 40 -7.772 5.534 -9.987 1.00 0.00 C ATOM 585 C ALA A 40 -6.347 6.062 -10.112 1.00 0.00 C ATOM 586 O ALA A 40 -6.114 7.269 -10.040 1.00 0.00 O ATOM 587 CB ALA A 40 -8.047 5.083 -8.560 1.00 0.00 C ATOM 0 H ALA A 40 -7.812 3.512 -10.538 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.455 6.345 -10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.866 5.912 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.085 4.761 -8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.387 4.253 -8.307 1.00 0.00 H new ATOM 593 N ILE A 41 -5.398 5.151 -10.298 1.00 0.00 N ATOM 594 CA ILE A 41 -3.996 5.526 -10.433 1.00 0.00 C ATOM 595 C ILE A 41 -3.813 6.590 -11.509 1.00 0.00 C ATOM 596 O ILE A 41 -3.243 7.651 -11.255 1.00 0.00 O ATOM 597 CB ILE A 41 -3.118 4.308 -10.777 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.266 3.226 -9.706 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.662 4.727 -10.917 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.509 1.955 -10.021 1.00 0.00 C ATOM 0 H ILE A 41 -5.574 4.148 -10.359 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.683 5.929 -9.470 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.451 3.897 -11.730 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.916 3.620 -8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.323 2.989 -9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.054 3.855 -11.160 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.571 5.466 -11.713 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.316 5.160 -9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.660 1.233 -9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.875 1.537 -10.959 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.446 2.178 -10.113 1.00 0.00 H new ATOM 612 N GLU A 42 -4.302 6.300 -12.711 1.00 0.00 N ATOM 613 CA GLU A 42 -4.192 7.234 -13.825 1.00 0.00 C ATOM 614 C GLU A 42 -4.828 8.576 -13.474 1.00 0.00 C ATOM 615 O GLU A 42 -4.214 9.629 -13.643 1.00 0.00 O ATOM 616 CB GLU A 42 -4.858 6.653 -15.074 1.00 0.00 C ATOM 617 CG GLU A 42 -3.929 5.796 -15.917 1.00 0.00 C ATOM 618 CD GLU A 42 -3.147 6.608 -16.931 1.00 0.00 C ATOM 619 OE1 GLU A 42 -3.747 7.499 -17.568 1.00 0.00 O ATOM 620 OE2 GLU A 42 -1.935 6.351 -17.088 1.00 0.00 O ATOM 0 H GLU A 42 -4.778 5.427 -12.938 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.133 7.395 -14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.717 6.054 -14.772 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.239 7.471 -15.686 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.233 5.270 -15.264 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.513 5.037 -16.437 1.00 0.00 H new ATOM 627 N ASN A 43 -6.063 8.530 -12.986 1.00 0.00 N ATOM 628 CA ASN A 43 -6.784 9.742 -12.612 1.00 0.00 C ATOM 629 C ASN A 43 -5.855 10.736 -11.922 1.00 0.00 C ATOM 630 O ASN A 43 -5.995 11.949 -12.082 1.00 0.00 O ATOM 631 CB ASN A 43 -7.957 9.399 -11.692 1.00 0.00 C ATOM 632 CG ASN A 43 -9.185 8.953 -12.463 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.291 9.179 -13.668 1.00 0.00 O ATOM 634 ND2 ASN A 43 -10.120 8.315 -11.768 1.00 0.00 N ATOM 0 H ASN A 43 -6.586 7.667 -12.840 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.168 10.202 -13.522 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.657 8.609 -11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.208 10.270 -11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.968 7.991 -12.232 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.990 8.149 -10.770 1.00 0.00 H new ATOM 641 N LEU A 44 -4.905 10.214 -11.153 1.00 0.00 N ATOM 642 CA LEU A 44 -3.951 11.055 -10.438 1.00 0.00 C ATOM 643 C LEU A 44 -2.707 11.307 -11.283 1.00 0.00 C ATOM 644 O LEU A 44 -2.326 12.454 -11.516 1.00 0.00 O ATOM 645 CB LEU A 44 -3.557 10.399 -9.113 1.00 0.00 C ATOM 646 CG LEU A 44 -4.707 10.063 -8.162 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.224 9.159 -7.039 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.322 11.336 -7.598 1.00 0.00 C ATOM 0 H LEU A 44 -4.775 9.213 -11.009 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.429 12.013 -10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.014 9.480 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.865 11.062 -8.594 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.474 9.531 -8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.056 8.931 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.832 8.233 -7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.438 9.664 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.138 11.078 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.563 11.896 -7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.706 11.948 -8.415 1.00 0.00 H new ATOM 660 N MET A 45 -2.080 10.229 -11.741 1.00 0.00 N ATOM 661 CA MET A 45 -0.880 10.334 -12.563 1.00 0.00 C ATOM 662 C MET A 45 -1.040 11.422 -13.620 1.00 0.00 C ATOM 663 O MET A 45 -0.135 12.229 -13.837 1.00 0.00 O ATOM 664 CB MET A 45 -0.578 8.994 -13.237 1.00 0.00 C ATOM 665 CG MET A 45 -0.230 7.886 -12.256 1.00 0.00 C ATOM 666 SD MET A 45 0.881 6.655 -12.964 1.00 0.00 S ATOM 667 CE MET A 45 1.839 6.194 -11.522 1.00 0.00 C ATOM 0 H MET A 45 -2.383 9.273 -11.557 1.00 0.00 H new ATOM 0 HA MET A 45 -0.047 10.601 -11.913 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.444 8.689 -13.825 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.250 9.125 -13.933 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.234 8.322 -11.371 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.147 7.396 -11.927 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.548 5.412 -11.791 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.382 7.064 -11.152 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.171 5.826 -10.744 1.00 0.00 H new ATOM 677 N THR A 46 -2.196 11.440 -14.276 1.00 0.00 N ATOM 678 CA THR A 46 -2.473 12.428 -15.311 1.00 0.00 C ATOM 679 C THR A 46 -2.652 13.817 -14.711 1.00 0.00 C ATOM 680 O THR A 46 -2.081 14.793 -15.198 1.00 0.00 O ATOM 681 CB THR A 46 -3.736 12.061 -16.114 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.856 11.928 -15.231 1.00 0.00 O ATOM 683 CG2 THR A 46 -3.532 10.764 -16.881 1.00 0.00 C ATOM 0 H THR A 46 -2.956 10.781 -14.109 1.00 0.00 H new ATOM 0 HA THR A 46 -1.614 12.433 -15.982 1.00 0.00 H new ATOM 0 HB THR A 46 -3.930 12.860 -16.829 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.766 11.102 -14.711 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.437 10.526 -17.440 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.697 10.878 -17.573 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.315 9.957 -16.181 1.00 0.00 H new ATOM 691 N SER A 47 -3.449 13.901 -13.650 1.00 0.00 N ATOM 692 CA SER A 47 -3.705 15.173 -12.984 1.00 0.00 C ATOM 693 C SER A 47 -2.411 15.959 -12.799 1.00 0.00 C ATOM 694 O SER A 47 -2.211 17.001 -13.422 1.00 0.00 O ATOM 695 CB SER A 47 -4.372 14.937 -11.628 1.00 0.00 C ATOM 696 OG SER A 47 -4.452 16.141 -10.883 1.00 0.00 O ATOM 0 H SER A 47 -3.929 13.103 -13.233 1.00 0.00 H new ATOM 0 HA SER A 47 -4.376 15.757 -13.614 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.372 14.531 -11.777 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.807 14.194 -11.065 1.00 0.00 H new ATOM 0 HG SER A 47 -4.884 15.964 -10.021 1.00 0.00 H new ATOM 702 N SER A 48 -1.537 15.451 -11.936 1.00 0.00 N ATOM 703 CA SER A 48 -0.263 16.107 -11.664 1.00 0.00 C ATOM 704 C SER A 48 0.888 15.354 -12.324 1.00 0.00 C ATOM 705 O SER A 48 0.689 14.300 -12.928 1.00 0.00 O ATOM 706 CB SER A 48 -0.027 16.203 -10.156 1.00 0.00 C ATOM 707 OG SER A 48 -0.478 15.035 -9.493 1.00 0.00 O ATOM 0 H SER A 48 -1.687 14.588 -11.413 1.00 0.00 H new ATOM 0 HA SER A 48 -0.303 17.112 -12.083 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.035 16.349 -9.960 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.547 17.074 -9.758 1.00 0.00 H new ATOM 0 HG SER A 48 -0.314 15.121 -8.531 1.00 0.00 H new ATOM 713 N SER A 49 2.093 15.903 -12.203 1.00 0.00 N ATOM 714 CA SER A 49 3.276 15.286 -12.791 1.00 0.00 C ATOM 715 C SER A 49 3.977 14.384 -11.779 1.00 0.00 C ATOM 716 O SER A 49 3.709 14.451 -10.579 1.00 0.00 O ATOM 717 CB SER A 49 4.243 16.361 -13.290 1.00 0.00 C ATOM 718 OG SER A 49 4.374 17.408 -12.344 1.00 0.00 O ATOM 0 H SER A 49 2.275 16.773 -11.703 1.00 0.00 H new ATOM 0 HA SER A 49 2.956 14.676 -13.636 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.219 15.916 -13.482 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.885 16.765 -14.237 1.00 0.00 H new ATOM 0 HG SER A 49 4.999 18.081 -12.686 1.00 0.00 H new ATOM 724 N LYS A 50 4.878 13.541 -12.272 1.00 0.00 N ATOM 725 CA LYS A 50 5.620 12.626 -11.414 1.00 0.00 C ATOM 726 C LYS A 50 6.553 13.391 -10.481 1.00 0.00 C ATOM 727 O LYS A 50 7.015 12.854 -9.474 1.00 0.00 O ATOM 728 CB LYS A 50 6.427 11.639 -12.262 1.00 0.00 C ATOM 729 CG LYS A 50 7.487 10.887 -11.476 1.00 0.00 C ATOM 730 CD LYS A 50 7.755 9.516 -12.074 1.00 0.00 C ATOM 731 CE LYS A 50 8.673 8.690 -11.185 1.00 0.00 C ATOM 732 NZ LYS A 50 10.076 9.186 -11.224 1.00 0.00 N ATOM 0 H LYS A 50 5.112 13.473 -13.262 1.00 0.00 H new ATOM 0 HA LYS A 50 4.902 12.073 -10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.745 10.920 -12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.907 12.181 -13.077 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.410 11.466 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.164 10.777 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.812 8.988 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.207 9.630 -13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.306 8.718 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.647 7.648 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.670 8.597 -10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.435 9.136 -12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.105 10.172 -10.895 1.00 0.00 H new ATOM 746 N GLU A 51 6.824 14.647 -10.822 1.00 0.00 N ATOM 747 CA GLU A 51 7.701 15.485 -10.012 1.00 0.00 C ATOM 748 C GLU A 51 6.895 16.317 -9.019 1.00 0.00 C ATOM 749 O GLU A 51 7.423 16.780 -8.008 1.00 0.00 O ATOM 750 CB GLU A 51 8.533 16.405 -10.908 1.00 0.00 C ATOM 751 CG GLU A 51 7.696 17.332 -11.774 1.00 0.00 C ATOM 752 CD GLU A 51 8.516 18.439 -12.406 1.00 0.00 C ATOM 753 OE1 GLU A 51 9.306 18.143 -13.326 1.00 0.00 O ATOM 754 OE2 GLU A 51 8.367 19.604 -11.979 1.00 0.00 O ATOM 0 H GLU A 51 6.450 15.106 -11.652 1.00 0.00 H new ATOM 0 HA GLU A 51 8.370 14.832 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.195 17.005 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.167 15.795 -11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.211 16.751 -12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.904 17.772 -11.168 1.00 0.00 H new ATOM 761 N ASP A 52 5.613 16.503 -9.316 1.00 0.00 N ATOM 762 CA ASP A 52 4.733 17.278 -8.450 1.00 0.00 C ATOM 763 C ASP A 52 4.478 16.544 -7.137 1.00 0.00 C ATOM 764 O ASP A 52 4.301 17.168 -6.090 1.00 0.00 O ATOM 765 CB ASP A 52 3.406 17.560 -9.157 1.00 0.00 C ATOM 766 CG ASP A 52 2.345 18.085 -8.209 1.00 0.00 C ATOM 767 OD1 ASP A 52 2.055 17.400 -7.206 1.00 0.00 O ATOM 768 OD2 ASP A 52 1.806 19.180 -8.471 1.00 0.00 O ATOM 0 H ASP A 52 5.161 16.128 -10.150 1.00 0.00 H new ATOM 0 HA ASP A 52 5.225 18.224 -8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.569 18.286 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.047 16.645 -9.629 1.00 0.00 H new ATOM 773 N TRP A 53 4.458 15.218 -7.201 1.00 0.00 N ATOM 774 CA TRP A 53 4.223 14.399 -6.017 1.00 0.00 C ATOM 775 C TRP A 53 5.316 14.621 -4.976 1.00 0.00 C ATOM 776 O TRP A 53 6.480 14.277 -5.181 1.00 0.00 O ATOM 777 CB TRP A 53 4.158 12.920 -6.399 1.00 0.00 C ATOM 778 CG TRP A 53 3.400 12.667 -7.667 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.357 13.399 -8.158 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.624 11.606 -8.603 1.00 0.00 C ATOM 781 NE1 TRP A 53 1.919 12.858 -9.343 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.680 11.758 -9.638 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.531 10.545 -8.668 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.620 10.887 -10.722 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.469 9.681 -9.745 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.519 9.857 -10.761 1.00 0.00 C ATOM 0 H TRP A 53 4.602 14.687 -8.060 1.00 0.00 H new ATOM 0 HA TRP A 53 3.268 14.697 -5.583 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.172 12.535 -6.507 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.691 12.363 -5.587 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.938 14.275 -7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.152 13.217 -9.911 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.267 10.403 -7.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.889 11.020 -11.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.164 8.856 -9.805 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.497 9.166 -11.591 1.00 0.00 H new ATOM 797 N PRO A 54 4.934 15.208 -3.832 1.00 0.00 N ATOM 798 CA PRO A 54 5.868 15.488 -2.737 1.00 0.00 C ATOM 799 C PRO A 54 6.342 14.216 -2.041 1.00 0.00 C ATOM 800 O PRO A 54 5.536 13.360 -1.676 1.00 0.00 O ATOM 801 CB PRO A 54 5.041 16.346 -1.777 1.00 0.00 C ATOM 802 CG PRO A 54 3.626 15.968 -2.053 1.00 0.00 C ATOM 803 CD PRO A 54 3.563 15.644 -3.520 1.00 0.00 C ATOM 0 HA PRO A 54 6.777 15.975 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.308 16.148 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.208 17.409 -1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.327 15.110 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.948 16.785 -1.804 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.835 14.860 -3.727 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.273 16.513 -4.111 1.00 0.00 H new ATOM 811 N SER A 55 7.653 14.100 -1.859 1.00 0.00 N ATOM 812 CA SER A 55 8.235 12.932 -1.209 1.00 0.00 C ATOM 813 C SER A 55 7.790 12.843 0.247 1.00 0.00 C ATOM 814 O SER A 55 7.906 13.807 1.004 1.00 0.00 O ATOM 815 CB SER A 55 9.762 12.986 -1.286 1.00 0.00 C ATOM 816 OG SER A 55 10.261 14.166 -0.681 1.00 0.00 O ATOM 0 H SER A 55 8.333 14.801 -2.153 1.00 0.00 H new ATOM 0 HA SER A 55 7.884 12.043 -1.733 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.185 12.112 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.078 12.946 -2.328 1.00 0.00 H new ATOM 0 HG SER A 55 9.695 14.407 0.082 1.00 0.00 H new ATOM 822 N VAL A 56 7.280 11.678 0.634 1.00 0.00 N ATOM 823 CA VAL A 56 6.818 11.461 2.000 1.00 0.00 C ATOM 824 C VAL A 56 7.224 10.080 2.504 1.00 0.00 C ATOM 825 O VAL A 56 7.601 9.209 1.722 1.00 0.00 O ATOM 826 CB VAL A 56 5.288 11.604 2.105 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.844 12.969 1.602 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.595 10.491 1.332 1.00 0.00 C ATOM 0 H VAL A 56 7.176 10.870 0.021 1.00 0.00 H new ATOM 0 HA VAL A 56 7.290 12.224 2.619 1.00 0.00 H new ATOM 0 HB VAL A 56 5.003 11.519 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.760 13.052 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.314 13.748 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.139 13.086 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.515 10.607 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.884 10.542 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.889 9.525 1.743 1.00 0.00 H new ATOM 838 N ASN A 57 7.144 9.889 3.817 1.00 0.00 N ATOM 839 CA ASN A 57 7.503 8.614 4.427 1.00 0.00 C ATOM 840 C ASN A 57 6.259 7.781 4.718 1.00 0.00 C ATOM 841 O ASN A 57 5.350 8.228 5.417 1.00 0.00 O ATOM 842 CB ASN A 57 8.289 8.846 5.719 1.00 0.00 C ATOM 843 CG ASN A 57 9.439 9.817 5.529 1.00 0.00 C ATOM 844 OD1 ASN A 57 10.103 9.815 4.493 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.680 10.652 6.533 1.00 0.00 N ATOM 0 H ASN A 57 6.834 10.601 4.479 1.00 0.00 H new ATOM 0 HA ASN A 57 8.129 8.066 3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.616 9.229 6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.677 7.894 6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.441 11.327 6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.104 10.618 7.374 1.00 0.00 H new ATOM 852 N MET A 58 6.227 6.567 4.178 1.00 0.00 N ATOM 853 CA MET A 58 5.095 5.670 4.382 1.00 0.00 C ATOM 854 C MET A 58 5.299 4.811 5.626 1.00 0.00 C ATOM 855 O MET A 58 6.103 3.879 5.623 1.00 0.00 O ATOM 856 CB MET A 58 4.899 4.775 3.156 1.00 0.00 C ATOM 857 CG MET A 58 3.752 3.788 3.302 1.00 0.00 C ATOM 858 SD MET A 58 3.328 2.981 1.746 1.00 0.00 S ATOM 859 CE MET A 58 2.767 4.381 0.780 1.00 0.00 C ATOM 0 H MET A 58 6.971 6.182 3.596 1.00 0.00 H new ATOM 0 HA MET A 58 4.202 6.279 4.525 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.719 5.403 2.283 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.820 4.224 2.968 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.021 3.031 4.038 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.876 4.310 3.687 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.721 4.240 0.509 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.871 5.293 1.367 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.368 4.462 -0.126 1.00 0.00 H new ATOM 869 N ASN A 59 4.566 5.131 6.687 1.00 0.00 N ATOM 870 CA ASN A 59 4.668 4.388 7.938 1.00 0.00 C ATOM 871 C ASN A 59 3.739 3.178 7.930 1.00 0.00 C ATOM 872 O ASN A 59 2.521 3.318 7.814 1.00 0.00 O ATOM 873 CB ASN A 59 4.331 5.296 9.123 1.00 0.00 C ATOM 874 CG ASN A 59 5.366 6.385 9.330 1.00 0.00 C ATOM 875 OD1 ASN A 59 6.059 6.412 10.347 1.00 0.00 O ATOM 876 ND2 ASN A 59 5.475 7.289 8.364 1.00 0.00 N ATOM 0 H ASN A 59 3.895 5.899 6.706 1.00 0.00 H new ATOM 0 HA ASN A 59 5.694 4.035 8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.355 5.753 8.961 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.255 4.694 10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.154 8.045 8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.879 7.227 7.538 1.00 0.00 H new ATOM 883 N VAL A 60 4.322 1.990 8.054 1.00 0.00 N ATOM 884 CA VAL A 60 3.547 0.755 8.063 1.00 0.00 C ATOM 885 C VAL A 60 3.786 -0.034 9.345 1.00 0.00 C ATOM 886 O VAL A 60 4.781 -0.746 9.472 1.00 0.00 O ATOM 887 CB VAL A 60 3.894 -0.134 6.854 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.071 -1.412 6.877 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.676 0.627 5.554 1.00 0.00 C ATOM 0 H VAL A 60 5.329 1.857 8.150 1.00 0.00 H new ATOM 0 HA VAL A 60 2.496 1.040 8.006 1.00 0.00 H new ATOM 0 HB VAL A 60 4.947 -0.408 6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.330 -2.027 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.281 -1.964 7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.011 -1.163 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.926 -0.016 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.632 0.932 5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.314 1.511 5.538 1.00 0.00 H new ATOM 899 N ALA A 61 2.864 0.096 10.294 1.00 0.00 N ATOM 900 CA ALA A 61 2.973 -0.607 11.566 1.00 0.00 C ATOM 901 C ALA A 61 2.488 -2.048 11.440 1.00 0.00 C ATOM 902 O ALA A 61 2.148 -2.505 10.349 1.00 0.00 O ATOM 903 CB ALA A 61 2.184 0.124 12.642 1.00 0.00 C ATOM 0 H ALA A 61 2.034 0.682 10.205 1.00 0.00 H new ATOM 0 HA ALA A 61 4.025 -0.628 11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.274 -0.412 13.587 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.577 1.134 12.759 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.134 0.175 12.352 1.00 0.00 H new ATOM 909 N ASP A 62 2.461 -2.758 12.562 1.00 0.00 N ATOM 910 CA ASP A 62 2.018 -4.147 12.577 1.00 0.00 C ATOM 911 C ASP A 62 0.679 -4.298 11.861 1.00 0.00 C ATOM 912 O ASP A 62 0.570 -5.031 10.878 1.00 0.00 O ATOM 913 CB ASP A 62 1.900 -4.652 14.016 1.00 0.00 C ATOM 914 CG ASP A 62 1.147 -5.964 14.110 1.00 0.00 C ATOM 915 OD1 ASP A 62 1.755 -7.019 13.832 1.00 0.00 O ATOM 916 OD2 ASP A 62 -0.051 -5.936 14.462 1.00 0.00 O ATOM 0 H ASP A 62 2.741 -2.395 13.473 1.00 0.00 H new ATOM 0 HA ASP A 62 2.761 -4.745 12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.898 -4.778 14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.392 -3.901 14.621 1.00 0.00 H new ATOM 921 N ALA A 63 -0.336 -3.602 12.361 1.00 0.00 N ATOM 922 CA ALA A 63 -1.666 -3.658 11.769 1.00 0.00 C ATOM 923 C ALA A 63 -2.189 -2.259 11.459 1.00 0.00 C ATOM 924 O ALA A 63 -3.370 -1.969 11.654 1.00 0.00 O ATOM 925 CB ALA A 63 -2.626 -4.389 12.695 1.00 0.00 C ATOM 0 H ALA A 63 -0.262 -2.992 13.175 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.595 -4.207 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.616 -4.423 12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.268 -5.405 12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.683 -3.863 13.648 1.00 0.00 H new ATOM 931 N THR A 64 -1.302 -1.394 10.976 1.00 0.00 N ATOM 932 CA THR A 64 -1.674 -0.025 10.642 1.00 0.00 C ATOM 933 C THR A 64 -0.715 0.570 9.617 1.00 0.00 C ATOM 934 O THR A 64 0.455 0.191 9.553 1.00 0.00 O ATOM 935 CB THR A 64 -1.692 0.873 11.893 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.681 0.406 12.817 1.00 0.00 O ATOM 937 CG2 THR A 64 -1.986 2.318 11.517 1.00 0.00 C ATOM 0 H THR A 64 -0.321 -1.618 10.808 1.00 0.00 H new ATOM 0 HA THR A 64 -2.677 -0.064 10.218 1.00 0.00 H new ATOM 0 HB THR A 64 -0.708 0.828 12.360 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.685 0.981 13.610 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.994 2.934 12.416 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.216 2.681 10.836 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.959 2.376 11.029 1.00 0.00 H new ATOM 945 N VAL A 65 -1.217 1.504 8.816 1.00 0.00 N ATOM 946 CA VAL A 65 -0.404 2.153 7.795 1.00 0.00 C ATOM 947 C VAL A 65 -0.621 3.662 7.797 1.00 0.00 C ATOM 948 O VAL A 65 -1.607 4.160 7.253 1.00 0.00 O ATOM 949 CB VAL A 65 -0.720 1.602 6.391 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.043 2.377 5.328 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.396 0.118 6.317 1.00 0.00 C ATOM 0 H VAL A 65 -2.183 1.828 8.855 1.00 0.00 H new ATOM 0 HA VAL A 65 0.637 1.938 8.036 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.786 1.728 6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.193 1.973 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.244 3.428 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.114 2.286 5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.625 -0.255 5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.663 -0.034 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.993 -0.422 7.052 1.00 0.00 H new ATOM 961 N THR A 66 0.308 4.387 8.412 1.00 0.00 N ATOM 962 CA THR A 66 0.219 5.840 8.485 1.00 0.00 C ATOM 963 C THR A 66 1.121 6.500 7.448 1.00 0.00 C ATOM 964 O THR A 66 2.171 5.964 7.094 1.00 0.00 O ATOM 965 CB THR A 66 0.603 6.356 9.885 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.053 5.576 10.891 1.00 0.00 O ATOM 967 CG2 THR A 66 0.225 7.821 10.044 1.00 0.00 C ATOM 0 H THR A 66 1.131 3.991 8.867 1.00 0.00 H new ATOM 0 HA THR A 66 -0.819 6.104 8.280 1.00 0.00 H new ATOM 0 HB THR A 66 1.683 6.262 10.000 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.197 5.909 11.778 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.506 8.163 11.040 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.749 8.415 9.295 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.851 7.936 9.911 1.00 0.00 H new ATOM 975 N VAL A 67 0.705 7.666 6.965 1.00 0.00 N ATOM 976 CA VAL A 67 1.477 8.400 5.970 1.00 0.00 C ATOM 977 C VAL A 67 2.029 9.698 6.549 1.00 0.00 C ATOM 978 O VAL A 67 1.284 10.647 6.792 1.00 0.00 O ATOM 979 CB VAL A 67 0.626 8.727 4.728 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.285 9.819 3.901 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.401 7.476 3.893 1.00 0.00 C ATOM 0 H VAL A 67 -0.162 8.123 7.247 1.00 0.00 H new ATOM 0 HA VAL A 67 2.305 7.756 5.675 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.345 9.094 5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.669 10.036 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.389 10.720 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.270 9.485 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.202 7.725 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.362 7.077 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.119 6.728 4.491 1.00 0.00 H new ATOM 991 N ILE A 68 3.339 9.731 6.769 1.00 0.00 N ATOM 992 CA ILE A 68 3.992 10.913 7.318 1.00 0.00 C ATOM 993 C ILE A 68 4.797 11.644 6.249 1.00 0.00 C ATOM 994 O ILE A 68 5.362 11.022 5.350 1.00 0.00 O ATOM 995 CB ILE A 68 4.925 10.548 8.488 1.00 0.00 C ATOM 996 CG1 ILE A 68 4.125 9.912 9.627 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.666 11.782 8.979 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.992 9.349 10.732 1.00 0.00 C ATOM 0 H ILE A 68 3.969 8.953 6.575 1.00 0.00 H new ATOM 0 HA ILE A 68 3.202 11.568 7.685 1.00 0.00 H new ATOM 0 HB ILE A 68 5.659 9.823 8.136 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.452 10.658 10.049 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.503 9.114 9.222 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.321 11.508 9.806 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.262 12.196 8.166 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.947 12.528 9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.359 8.914 11.505 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.647 8.579 10.324 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.595 10.148 11.164 1.00 0.00 H new ATOM 1010 N SER A 69 4.846 12.968 6.355 1.00 0.00 N ATOM 1011 CA SER A 69 5.581 13.785 5.396 1.00 0.00 C ATOM 1012 C SER A 69 7.076 13.761 5.696 1.00 0.00 C ATOM 1013 O SER A 69 7.492 13.424 6.804 1.00 0.00 O ATOM 1014 CB SER A 69 5.066 15.225 5.422 1.00 0.00 C ATOM 1015 OG SER A 69 5.291 15.869 4.180 1.00 0.00 O ATOM 0 H SER A 69 4.386 13.498 7.095 1.00 0.00 H new ATOM 0 HA SER A 69 5.422 13.368 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.000 15.229 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.564 15.779 6.218 1.00 0.00 H new ATOM 0 HG SER A 69 4.952 16.787 4.221 1.00 0.00 H new ATOM 1021 N GLU A 70 7.879 14.122 4.700 1.00 0.00 N ATOM 1022 CA GLU A 70 9.329 14.141 4.856 1.00 0.00 C ATOM 1023 C GLU A 70 9.771 15.349 5.677 1.00 0.00 C ATOM 1024 O GLU A 70 10.690 15.258 6.491 1.00 0.00 O ATOM 1025 CB GLU A 70 10.011 14.163 3.487 1.00 0.00 C ATOM 1026 CG GLU A 70 11.486 13.798 3.536 1.00 0.00 C ATOM 1027 CD GLU A 70 12.362 14.965 3.948 1.00 0.00 C ATOM 1028 OE1 GLU A 70 12.185 16.067 3.386 1.00 0.00 O ATOM 1029 OE2 GLU A 70 13.225 14.778 4.831 1.00 0.00 O ATOM 0 H GLU A 70 7.550 14.405 3.777 1.00 0.00 H new ATOM 0 HA GLU A 70 9.624 13.235 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.496 13.470 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.906 15.158 3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.630 12.975 4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.801 13.440 2.556 1.00 0.00 H new ATOM 1036 N LYS A 71 9.111 16.480 5.457 1.00 0.00 N ATOM 1037 CA LYS A 71 9.433 17.707 6.175 1.00 0.00 C ATOM 1038 C LYS A 71 9.384 17.484 7.683 1.00 0.00 C ATOM 1039 O LYS A 71 10.374 17.693 8.384 1.00 0.00 O ATOM 1040 CB LYS A 71 8.462 18.823 5.783 1.00 0.00 C ATOM 1041 CG LYS A 71 8.458 19.130 4.295 1.00 0.00 C ATOM 1042 CD LYS A 71 9.746 19.810 3.862 1.00 0.00 C ATOM 1043 CE LYS A 71 9.705 21.306 4.132 1.00 0.00 C ATOM 1044 NZ LYS A 71 11.063 21.862 4.385 1.00 0.00 N ATOM 0 H LYS A 71 8.348 16.573 4.786 1.00 0.00 H new ATOM 0 HA LYS A 71 10.446 18.002 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.455 18.542 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.721 19.728 6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.327 18.206 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.609 19.771 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.589 19.367 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.911 19.636 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.257 21.817 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.066 21.502 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.992 22.884 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.481 21.393 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.666 21.698 3.554 1.00 0.00 H new ATOM 1058 N ASN A 72 8.226 17.056 8.176 1.00 0.00 N ATOM 1059 CA ASN A 72 8.049 16.804 9.602 1.00 0.00 C ATOM 1060 C ASN A 72 7.705 15.339 9.856 1.00 0.00 C ATOM 1061 O ASN A 72 7.508 14.567 8.919 1.00 0.00 O ATOM 1062 CB ASN A 72 6.949 17.704 10.168 1.00 0.00 C ATOM 1063 CG ASN A 72 6.969 19.093 9.560 1.00 0.00 C ATOM 1064 OD1 ASN A 72 8.001 19.763 9.549 1.00 0.00 O ATOM 1065 ND2 ASN A 72 5.824 19.532 9.050 1.00 0.00 N ATOM 0 H ASN A 72 7.397 16.877 7.610 1.00 0.00 H new ATOM 0 HA ASN A 72 8.989 17.031 10.106 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.978 17.244 9.986 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.067 17.782 11.249 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.776 20.459 8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.992 18.942 9.081 1.00 0.00 H new ATOM 1072 N GLU A 73 7.632 14.966 11.130 1.00 0.00 N ATOM 1073 CA GLU A 73 7.311 13.595 11.506 1.00 0.00 C ATOM 1074 C GLU A 73 5.870 13.488 11.996 1.00 0.00 C ATOM 1075 O GLU A 73 5.167 12.528 11.682 1.00 0.00 O ATOM 1076 CB GLU A 73 8.269 13.104 12.594 1.00 0.00 C ATOM 1077 CG GLU A 73 9.712 12.997 12.132 1.00 0.00 C ATOM 1078 CD GLU A 73 9.993 11.705 11.389 1.00 0.00 C ATOM 1079 OE1 GLU A 73 9.705 10.625 11.945 1.00 0.00 O ATOM 1080 OE2 GLU A 73 10.499 11.775 10.249 1.00 0.00 O ATOM 0 H GLU A 73 7.791 15.594 11.918 1.00 0.00 H new ATOM 0 HA GLU A 73 7.423 12.967 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.218 13.784 13.445 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.936 12.128 12.946 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.946 13.842 11.485 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.372 13.065 12.997 1.00 0.00 H new ATOM 1087 N GLU A 74 5.438 14.481 12.767 1.00 0.00 N ATOM 1088 CA GLU A 74 4.081 14.498 13.301 1.00 0.00 C ATOM 1089 C GLU A 74 3.055 14.590 12.176 1.00 0.00 C ATOM 1090 O GLU A 74 1.959 14.038 12.275 1.00 0.00 O ATOM 1091 CB GLU A 74 3.904 15.672 14.266 1.00 0.00 C ATOM 1092 CG GLU A 74 4.178 17.026 13.633 1.00 0.00 C ATOM 1093 CD GLU A 74 4.472 18.101 14.661 1.00 0.00 C ATOM 1094 OE1 GLU A 74 5.616 18.147 15.161 1.00 0.00 O ATOM 1095 OE2 GLU A 74 3.559 18.896 14.967 1.00 0.00 O ATOM 0 H GLU A 74 6.007 15.283 13.036 1.00 0.00 H new ATOM 0 HA GLU A 74 3.919 13.565 13.841 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.886 15.661 14.655 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.572 15.536 15.117 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.024 16.940 12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.316 17.325 13.036 1.00 0.00 H new ATOM 1102 N GLU A 75 3.419 15.292 11.107 1.00 0.00 N ATOM 1103 CA GLU A 75 2.529 15.457 9.963 1.00 0.00 C ATOM 1104 C GLU A 75 1.975 14.111 9.505 1.00 0.00 C ATOM 1105 O GLU A 75 2.714 13.260 9.009 1.00 0.00 O ATOM 1106 CB GLU A 75 3.267 16.137 8.809 1.00 0.00 C ATOM 1107 CG GLU A 75 2.428 16.280 7.550 1.00 0.00 C ATOM 1108 CD GLU A 75 1.117 16.999 7.801 1.00 0.00 C ATOM 1109 OE1 GLU A 75 1.049 17.793 8.763 1.00 0.00 O ATOM 1110 OE2 GLU A 75 0.158 16.768 7.035 1.00 0.00 O ATOM 0 H GLU A 75 4.323 15.755 11.009 1.00 0.00 H new ATOM 0 HA GLU A 75 1.695 16.087 10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.595 17.125 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.164 15.564 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.998 16.825 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.223 15.291 7.140 1.00 0.00 H new ATOM 1117 N VAL A 76 0.670 13.925 9.676 1.00 0.00 N ATOM 1118 CA VAL A 76 0.016 12.684 9.279 1.00 0.00 C ATOM 1119 C VAL A 76 -0.964 12.919 8.136 1.00 0.00 C ATOM 1120 O VAL A 76 -2.172 13.021 8.350 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.735 12.043 10.462 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.585 13.081 11.179 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -1.591 10.881 9.981 1.00 0.00 C ATOM 0 H VAL A 76 0.045 14.618 10.087 1.00 0.00 H new ATOM 0 HA VAL A 76 0.801 12.005 8.945 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.002 11.656 11.170 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.108 12.611 12.012 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.944 13.878 11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.312 13.499 10.483 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.115 10.439 10.829 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.318 11.241 9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.954 10.128 9.516 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.436 13.004 6.920 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.264 13.227 5.740 1.00 0.00 C ATOM 1135 C LEU A 77 -2.458 12.277 5.725 1.00 0.00 C ATOM 1136 O LEU A 77 -3.609 12.709 5.787 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.435 13.043 4.468 1.00 0.00 C ATOM 1138 CG LEU A 77 0.840 13.882 4.370 1.00 0.00 C ATOM 1139 CD1 LEU A 77 1.693 13.422 3.198 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.497 15.358 4.235 1.00 0.00 C ATOM 0 H LEU A 77 0.562 12.922 6.725 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.638 14.250 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.161 11.991 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.066 13.276 3.610 1.00 0.00 H new ATOM 0 HG LEU A 77 1.414 13.745 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.596 14.030 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.968 12.376 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.128 13.529 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.416 15.940 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.098 15.512 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.073 15.680 5.107 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.175 10.981 5.644 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.224 9.969 5.625 1.00 0.00 C ATOM 1154 C VAL A 78 -2.987 8.911 6.696 1.00 0.00 C ATOM 1155 O VAL A 78 -1.858 8.471 6.908 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.315 9.281 4.250 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.415 8.231 4.250 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.548 10.310 3.154 1.00 0.00 C ATOM 0 H VAL A 78 -1.228 10.607 5.590 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.163 10.483 5.829 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.368 8.780 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.464 7.756 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.199 7.478 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.371 8.706 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.610 9.806 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.480 10.842 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.721 11.020 3.140 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.060 8.506 7.368 1.00 0.00 N ATOM 1169 CA GLU A 79 -3.968 7.499 8.418 1.00 0.00 C ATOM 1170 C GLU A 79 -4.874 6.310 8.113 1.00 0.00 C ATOM 1171 O GLU A 79 -6.065 6.327 8.427 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.343 8.105 9.772 1.00 0.00 C ATOM 1173 CG GLU A 79 -4.174 7.145 10.937 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.853 7.636 12.201 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -4.269 8.498 12.891 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -5.967 7.159 12.501 1.00 0.00 O ATOM 0 H GLU A 79 -5.003 8.860 7.204 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.937 7.148 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.729 8.988 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.380 8.440 9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.583 6.172 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.111 7.000 11.133 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.302 5.280 7.499 1.00 0.00 N ATOM 1184 CA CYS A 80 -5.058 4.082 7.149 1.00 0.00 C ATOM 1185 C CYS A 80 -4.702 2.925 8.076 1.00 0.00 C ATOM 1186 O CYS A 80 -3.568 2.816 8.543 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.787 3.690 5.696 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.880 2.395 5.065 1.00 0.00 S ATOM 0 H CYS A 80 -3.318 5.250 7.233 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.119 4.304 7.266 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.889 4.575 5.067 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.754 3.353 5.608 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.585 2.145 3.824 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.679 2.064 8.341 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.470 0.916 9.215 1.00 0.00 C ATOM 1196 C ARG A 81 -5.808 -0.386 8.494 1.00 0.00 C ATOM 1197 O ARG A 81 -6.898 -0.536 7.942 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.322 1.048 10.478 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.622 1.782 11.611 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.583 2.100 12.746 1.00 0.00 C ATOM 1201 NE ARG A 81 -6.092 3.186 13.590 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.846 3.825 14.477 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -8.119 3.489 14.635 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -6.327 4.803 15.209 1.00 0.00 N ATOM 0 H ARG A 81 -6.623 2.140 7.963 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.417 0.892 9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.244 1.574 10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.605 0.053 10.821 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.801 1.173 11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.186 2.706 11.232 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.554 2.372 12.333 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.734 1.208 13.354 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.117 3.469 13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.522 2.738 14.074 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.696 3.982 15.317 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.348 5.064 15.091 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.907 5.293 15.890 1.00 0.00 H new ATOM 1218 N VAL A 82 -4.866 -1.323 8.503 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.065 -2.612 7.850 1.00 0.00 C ATOM 1220 C VAL A 82 -6.520 -3.056 7.942 1.00 0.00 C ATOM 1221 O VAL A 82 -7.117 -3.470 6.948 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.168 -3.700 8.471 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -4.475 -5.058 7.860 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.699 -3.345 8.291 1.00 0.00 C ATOM 0 H VAL A 82 -3.958 -1.214 8.955 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.794 -2.481 6.802 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.378 -3.753 9.539 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.832 -5.814 8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.519 -5.313 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.295 -5.023 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.079 -4.124 8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.472 -3.263 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.492 -2.393 8.781 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.086 -2.968 9.141 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.472 -3.361 9.363 1.00 0.00 C ATOM 1236 C ARG A 83 -9.404 -2.637 8.397 1.00 0.00 C ATOM 1237 O ARG A 83 -10.277 -3.250 7.783 1.00 0.00 O ATOM 1238 CB ARG A 83 -8.884 -3.063 10.806 1.00 0.00 C ATOM 1239 CG ARG A 83 -8.391 -4.097 11.806 1.00 0.00 C ATOM 1240 CD ARG A 83 -9.324 -5.296 11.873 1.00 0.00 C ATOM 1241 NE ARG A 83 -10.418 -5.087 12.818 1.00 0.00 N ATOM 1242 CZ ARG A 83 -11.486 -5.873 12.891 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -11.603 -6.915 12.080 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -12.440 -5.617 13.777 1.00 0.00 N ATOM 0 H ARG A 83 -6.606 -2.628 9.974 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.552 -4.433 9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.500 -2.083 11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.971 -3.007 10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.391 -4.428 11.526 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.311 -3.641 12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.734 -5.492 10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.757 -6.180 12.165 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.358 -4.294 13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.872 -7.115 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.424 -7.517 12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.353 -4.816 14.403 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.260 -6.221 13.832 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.213 -1.328 8.268 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.037 -0.519 7.377 1.00 0.00 C ATOM 1260 C PHE A 84 -9.706 -0.809 5.916 1.00 0.00 C ATOM 1261 O PHE A 84 -10.503 -0.530 5.020 1.00 0.00 O ATOM 1262 CB PHE A 84 -9.836 0.969 7.672 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.578 1.445 8.888 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -11.905 1.099 9.086 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -9.948 2.237 9.834 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -12.590 1.536 10.203 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -10.628 2.677 10.954 1.00 0.00 C ATOM 1268 CZ PHE A 84 -11.951 2.325 11.140 1.00 0.00 C ATOM 0 H PHE A 84 -8.495 -0.805 8.769 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.081 -0.779 7.553 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.772 1.164 7.806 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.160 1.549 6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.410 0.480 8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.913 2.514 9.695 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.625 1.261 10.344 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.126 3.295 11.683 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.484 2.666 12.015 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.524 -1.370 5.684 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.086 -1.698 4.332 1.00 0.00 C ATOM 1280 C LEU A 85 -9.075 -2.638 3.651 1.00 0.00 C ATOM 1281 O LEU A 85 -9.233 -3.790 4.058 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.697 -2.339 4.367 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.816 -2.099 3.140 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.355 -2.359 3.473 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.266 -2.978 1.981 1.00 0.00 C ATOM 0 H LEU A 85 -7.852 -1.607 6.414 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.039 -0.773 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.170 -1.968 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.818 -3.414 4.498 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.919 -1.056 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.743 -2.183 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.039 -1.688 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.234 -3.392 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.628 -2.794 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.193 -4.026 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.299 -2.743 1.726 1.00 0.00 H new ATOM 1297 N SER A 86 -9.738 -2.140 2.612 1.00 0.00 N ATOM 1298 CA SER A 86 -10.713 -2.935 1.876 1.00 0.00 C ATOM 1299 C SER A 86 -10.021 -3.842 0.862 1.00 0.00 C ATOM 1300 O SER A 86 -10.127 -5.066 0.934 1.00 0.00 O ATOM 1301 CB SER A 86 -11.712 -2.022 1.162 1.00 0.00 C ATOM 1302 OG SER A 86 -12.445 -2.736 0.181 1.00 0.00 O ATOM 0 H SER A 86 -9.617 -1.190 2.261 1.00 0.00 H new ATOM 0 HA SER A 86 -11.249 -3.560 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.398 -1.589 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.181 -1.194 0.693 1.00 0.00 H new ATOM 0 HG SER A 86 -12.064 -2.561 -0.704 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.313 -3.231 -0.082 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.604 -3.981 -1.111 1.00 0.00 C ATOM 1310 C PHE A 87 -7.365 -3.224 -1.580 1.00 0.00 C ATOM 1311 O PHE A 87 -7.435 -2.039 -1.904 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.528 -4.256 -2.300 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.832 -4.905 -3.462 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.609 -6.272 -3.478 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.402 -4.147 -4.539 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.969 -6.872 -4.546 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.762 -4.741 -5.611 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.545 -6.105 -5.614 1.00 0.00 C ATOM 0 H PHE A 87 -9.215 -2.218 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.286 -4.930 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.347 -4.897 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.971 -3.317 -2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.939 -6.876 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.569 -3.080 -4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.801 -7.939 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.432 -4.139 -6.445 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.045 -6.571 -6.450 1.00 0.00 H new ATOM 1328 N MET A 88 -6.232 -3.917 -1.613 1.00 0.00 N ATOM 1329 CA MET A 88 -4.977 -3.311 -2.043 1.00 0.00 C ATOM 1330 C MET A 88 -4.423 -4.022 -3.273 1.00 0.00 C ATOM 1331 O MET A 88 -4.665 -5.211 -3.476 1.00 0.00 O ATOM 1332 CB MET A 88 -3.951 -3.354 -0.909 1.00 0.00 C ATOM 1333 CG MET A 88 -3.429 -4.751 -0.614 1.00 0.00 C ATOM 1334 SD MET A 88 -2.178 -4.765 0.685 1.00 0.00 S ATOM 1335 CE MET A 88 -3.120 -5.430 2.055 1.00 0.00 C ATOM 0 H MET A 88 -6.157 -4.899 -1.347 1.00 0.00 H new ATOM 0 HA MET A 88 -5.175 -2.272 -2.305 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.111 -2.708 -1.165 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.403 -2.946 -0.005 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.261 -5.391 -0.319 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.007 -5.177 -1.524 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.826 -4.928 2.977 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.183 -5.269 1.877 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.925 -6.499 2.146 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.678 -3.285 -4.092 1.00 0.00 N ATOM 1346 CA GLY A 89 -3.102 -3.862 -5.292 1.00 0.00 C ATOM 1347 C GLY A 89 -2.074 -2.954 -5.937 1.00 0.00 C ATOM 1348 O GLY A 89 -1.885 -1.816 -5.508 1.00 0.00 O ATOM 0 H GLY A 89 -3.463 -2.299 -3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.636 -4.816 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.897 -4.072 -6.008 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.406 -3.458 -6.970 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.391 -2.684 -7.675 1.00 0.00 C ATOM 1354 C VAL A 90 -0.842 -2.347 -9.091 1.00 0.00 C ATOM 1355 O VAL A 90 -1.505 -3.147 -9.750 1.00 0.00 O ATOM 1356 CB VAL A 90 0.948 -3.444 -7.741 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.941 -2.699 -8.620 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.512 -3.652 -6.344 1.00 0.00 C ATOM 0 H VAL A 90 -1.549 -4.399 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.249 -1.761 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 90 0.769 -4.423 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.881 -3.250 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.537 -2.607 -9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.118 -1.706 -8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.458 -4.190 -6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.678 -2.684 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.806 -4.231 -5.749 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.477 -1.155 -9.555 1.00 0.00 N ATOM 1369 CA GLY A 91 -0.853 -0.732 -10.891 1.00 0.00 C ATOM 1370 C GLY A 91 -0.038 -1.421 -11.968 1.00 0.00 C ATOM 1371 O GLY A 91 0.633 -2.419 -11.706 1.00 0.00 O ATOM 0 H GLY A 91 0.072 -0.475 -9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.911 -0.941 -11.051 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.725 0.347 -10.977 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.096 -0.888 -13.183 1.00 0.00 N ATOM 1376 CA LYS A 92 0.642 -1.457 -14.305 1.00 0.00 C ATOM 1377 C LYS A 92 2.105 -1.681 -13.936 1.00 0.00 C ATOM 1378 O LYS A 92 2.666 -2.744 -14.203 1.00 0.00 O ATOM 1379 CB LYS A 92 0.547 -0.536 -15.524 1.00 0.00 C ATOM 1380 CG LYS A 92 0.796 -1.246 -16.843 1.00 0.00 C ATOM 1381 CD LYS A 92 0.954 -0.259 -17.987 1.00 0.00 C ATOM 1382 CE LYS A 92 1.041 -0.969 -19.329 1.00 0.00 C ATOM 1383 NZ LYS A 92 1.356 -0.025 -20.437 1.00 0.00 N ATOM 0 H LYS A 92 -0.647 -0.062 -13.417 1.00 0.00 H new ATOM 0 HA LYS A 92 0.196 -2.421 -14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.443 -0.079 -15.548 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.269 0.273 -15.415 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.694 -1.859 -16.763 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.033 -1.921 -17.056 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.110 0.430 -17.993 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.852 0.339 -17.832 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.808 -1.742 -19.282 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.096 -1.470 -19.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.407 -0.548 -21.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.611 0.698 -20.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.270 0.435 -20.252 1.00 0.00 H new ATOM 1397 N ASP A 93 2.716 -0.675 -13.320 1.00 0.00 N ATOM 1398 CA ASP A 93 4.113 -0.764 -12.912 1.00 0.00 C ATOM 1399 C ASP A 93 4.228 -1.248 -11.470 1.00 0.00 C ATOM 1400 O ASP A 93 3.510 -0.779 -10.588 1.00 0.00 O ATOM 1401 CB ASP A 93 4.798 0.595 -13.064 1.00 0.00 C ATOM 1402 CG ASP A 93 5.221 0.874 -14.492 1.00 0.00 C ATOM 1403 OD1 ASP A 93 6.021 0.086 -15.039 1.00 0.00 O ATOM 1404 OD2 ASP A 93 4.752 1.880 -15.064 1.00 0.00 O ATOM 0 H ASP A 93 2.266 0.211 -13.092 1.00 0.00 H new ATOM 0 HA ASP A 93 4.610 -1.487 -13.559 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.120 1.380 -12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.673 0.632 -12.415 1.00 0.00 H new ATOM 1409 N VAL A 94 5.137 -2.190 -11.239 1.00 0.00 N ATOM 1410 CA VAL A 94 5.347 -2.738 -9.904 1.00 0.00 C ATOM 1411 C VAL A 94 5.904 -1.681 -8.957 1.00 0.00 C ATOM 1412 O VAL A 94 5.930 -1.873 -7.741 1.00 0.00 O ATOM 1413 CB VAL A 94 6.308 -3.941 -9.935 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.827 -4.983 -10.933 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.721 -3.485 -10.268 1.00 0.00 C ATOM 0 H VAL A 94 5.740 -2.589 -11.959 1.00 0.00 H new ATOM 0 HA VAL A 94 4.374 -3.069 -9.542 1.00 0.00 H new ATOM 0 HB VAL A 94 6.322 -4.399 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.519 -5.826 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.835 -5.331 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.783 -4.540 -11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.387 -4.348 -10.286 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.727 -3.002 -11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.063 -2.778 -9.512 1.00 0.00 H new ATOM 1425 N HIS A 95 6.347 -0.563 -9.523 1.00 0.00 N ATOM 1426 CA HIS A 95 6.903 0.527 -8.728 1.00 0.00 C ATOM 1427 C HIS A 95 5.798 1.297 -8.013 1.00 0.00 C ATOM 1428 O HIS A 95 6.036 1.942 -6.992 1.00 0.00 O ATOM 1429 CB HIS A 95 7.708 1.475 -9.618 1.00 0.00 C ATOM 1430 CG HIS A 95 8.987 0.882 -10.123 1.00 0.00 C ATOM 1431 ND1 HIS A 95 9.082 -0.409 -10.597 1.00 0.00 N ATOM 1432 CD2 HIS A 95 10.228 1.412 -10.228 1.00 0.00 C ATOM 1433 CE1 HIS A 95 10.326 -0.649 -10.971 1.00 0.00 C ATOM 1434 NE2 HIS A 95 11.042 0.440 -10.757 1.00 0.00 N ATOM 0 H HIS A 95 6.332 -0.388 -10.528 1.00 0.00 H new ATOM 0 HA HIS A 95 7.565 0.096 -7.977 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.094 1.771 -10.468 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.934 2.382 -9.057 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.523 2.412 -9.948 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.695 -1.577 -11.382 1.00 0.00 H new ATOM 0 HE2 HIS A 95 12.038 0.543 -10.953 1.00 0.00 H new ATOM 1443 N THR A 96 4.586 1.226 -8.557 1.00 0.00 N ATOM 1444 CA THR A 96 3.444 1.917 -7.972 1.00 0.00 C ATOM 1445 C THR A 96 2.785 1.072 -6.889 1.00 0.00 C ATOM 1446 O THR A 96 2.911 -0.153 -6.881 1.00 0.00 O ATOM 1447 CB THR A 96 2.394 2.271 -9.042 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.892 1.075 -9.649 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.991 3.176 -10.109 1.00 0.00 C ATOM 0 H THR A 96 4.371 0.697 -9.402 1.00 0.00 H new ATOM 0 HA THR A 96 3.825 2.837 -7.528 1.00 0.00 H new ATOM 0 HB THR A 96 1.576 2.802 -8.555 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.568 0.708 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.230 3.412 -10.853 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.346 4.098 -9.648 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.826 2.668 -10.592 1.00 0.00 H new ATOM 1457 N PHE A 97 2.081 1.732 -5.975 1.00 0.00 N ATOM 1458 CA PHE A 97 1.402 1.040 -4.886 1.00 0.00 C ATOM 1459 C PHE A 97 0.143 1.793 -4.465 1.00 0.00 C ATOM 1460 O PHE A 97 0.217 2.905 -3.944 1.00 0.00 O ATOM 1461 CB PHE A 97 2.341 0.884 -3.689 1.00 0.00 C ATOM 1462 CG PHE A 97 1.669 0.320 -2.469 1.00 0.00 C ATOM 1463 CD1 PHE A 97 1.083 -0.936 -2.503 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.623 1.045 -1.290 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.463 -1.456 -1.383 1.00 0.00 C ATOM 1466 CE2 PHE A 97 1.005 0.529 -0.166 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.425 -0.724 -0.213 1.00 0.00 C ATOM 0 H PHE A 97 1.966 2.745 -5.967 1.00 0.00 H new ATOM 0 HA PHE A 97 1.111 0.052 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.170 0.235 -3.970 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.767 1.857 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.111 -1.514 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.075 2.025 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.008 -2.435 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.976 1.105 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.057 -1.130 0.664 1.00 0.00 H new ATOM 1477 N ALA A 98 -1.012 1.178 -4.696 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.287 1.788 -4.339 1.00 0.00 C ATOM 1479 C ALA A 98 -3.115 0.857 -3.460 1.00 0.00 C ATOM 1480 O ALA A 98 -3.114 -0.359 -3.653 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.063 2.160 -5.594 1.00 0.00 C ATOM 0 H ALA A 98 -1.091 0.258 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.081 2.694 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.013 2.614 -5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.482 2.869 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.250 1.264 -6.185 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.819 1.436 -2.493 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.650 0.657 -1.582 1.00 0.00 C ATOM 1489 C PHE A 99 -5.979 1.361 -1.321 1.00 0.00 C ATOM 1490 O PHE A 99 -6.031 2.585 -1.198 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.915 0.425 -0.260 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.687 1.683 0.528 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.715 2.254 1.260 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.444 2.296 0.536 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.509 3.412 1.987 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.231 3.453 1.261 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.265 4.013 1.986 1.00 0.00 C ATOM 0 H PHE A 99 -3.831 2.441 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.855 -0.306 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.488 -0.276 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.953 -0.045 -0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.690 1.789 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.632 1.864 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.319 3.846 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.257 3.919 1.261 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.101 4.919 2.551 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.049 0.578 -1.239 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.378 1.125 -0.994 1.00 0.00 C ATOM 1509 C ILE A 100 -8.784 0.948 0.465 1.00 0.00 C ATOM 1510 O ILE A 100 -8.944 -0.175 0.943 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.436 0.461 -1.894 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.143 0.757 -3.366 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.829 0.943 -1.518 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.873 -0.159 -4.324 1.00 0.00 C ATOM 0 H ILE A 100 -7.022 -0.437 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.330 2.188 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.394 -0.618 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.418 1.789 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.070 0.670 -3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.566 0.465 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.035 0.686 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.886 2.024 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.618 0.109 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.580 -1.192 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.948 -0.055 -4.179 1.00 0.00 H new ATOM 1526 N MET A 101 -8.952 2.064 1.167 1.00 0.00 N ATOM 1527 CA MET A 101 -9.343 2.031 2.572 1.00 0.00 C ATOM 1528 C MET A 101 -10.792 2.477 2.743 1.00 0.00 C ATOM 1529 O MET A 101 -11.345 3.164 1.884 1.00 0.00 O ATOM 1530 CB MET A 101 -8.420 2.927 3.401 1.00 0.00 C ATOM 1531 CG MET A 101 -8.833 4.390 3.401 1.00 0.00 C ATOM 1532 SD MET A 101 -9.970 4.791 4.742 1.00 0.00 S ATOM 1533 CE MET A 101 -8.917 5.790 5.792 1.00 0.00 C ATOM 0 H MET A 101 -8.824 3.002 0.787 1.00 0.00 H new ATOM 0 HA MET A 101 -9.253 1.004 2.925 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.401 2.563 4.428 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.404 2.845 3.015 1.00 0.00 H new ATOM 0 HG2 MET A 101 -7.944 5.015 3.485 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.303 4.631 2.447 1.00 0.00 H new ATOM 0 HE1 MET A 101 -9.479 6.115 6.667 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.057 5.201 6.111 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.573 6.663 5.237 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.400 2.081 3.856 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.784 2.441 4.140 1.00 0.00 C ATOM 1545 C ASP A 102 -12.854 3.709 4.985 1.00 0.00 C ATOM 1546 O ASP A 102 -12.588 3.682 6.187 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.494 1.293 4.860 1.00 0.00 C ATOM 1548 CG ASP A 102 -14.817 1.720 5.466 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -14.799 2.351 6.542 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -15.869 1.421 4.863 1.00 0.00 O ATOM 0 H ASP A 102 -10.956 1.511 4.576 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.286 2.631 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.666 0.478 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.846 0.905 5.646 1.00 0.00 H new ATOM 1555 N THR A 103 -13.213 4.819 4.349 1.00 0.00 N ATOM 1556 CA THR A 103 -13.315 6.098 5.041 1.00 0.00 C ATOM 1557 C THR A 103 -14.697 6.280 5.658 1.00 0.00 C ATOM 1558 O THR A 103 -14.834 6.834 6.747 1.00 0.00 O ATOM 1559 CB THR A 103 -13.031 7.276 4.090 1.00 0.00 C ATOM 1560 OG1 THR A 103 -13.917 7.224 2.967 1.00 0.00 O ATOM 1561 CG2 THR A 103 -11.589 7.245 3.607 1.00 0.00 C ATOM 0 H THR A 103 -13.438 4.858 3.355 1.00 0.00 H new ATOM 0 HA THR A 103 -12.565 6.090 5.832 1.00 0.00 H new ATOM 0 HB THR A 103 -13.194 8.204 4.638 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.731 7.977 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 103 -11.412 8.086 2.937 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.917 7.315 4.462 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.403 6.312 3.075 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.664 4.758 0.954 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.639 5.515 0.247 1.00 0.00 C ATOM 1609 C ARG A 107 -16.244 5.099 0.704 1.00 0.00 C ATOM 1610 O ARG A 107 -15.968 5.026 1.902 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.835 7.015 0.472 1.00 0.00 C ATOM 1612 CG ARG A 107 -18.789 7.661 -0.520 1.00 0.00 C ATOM 1613 CD ARG A 107 -20.232 7.566 -0.048 1.00 0.00 C ATOM 1614 NE ARG A 107 -20.484 8.415 1.114 1.00 0.00 N ATOM 1615 CZ ARG A 107 -20.590 9.737 1.049 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -20.466 10.359 -0.116 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -20.820 10.441 2.150 1.00 0.00 N ATOM 0 HA ARG A 107 -17.734 5.300 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.211 7.176 1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.867 7.513 0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.518 8.708 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -18.690 7.176 -1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -20.899 7.855 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -20.464 6.531 0.202 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.584 7.968 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.289 9.822 -0.965 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.548 11.375 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.916 9.967 3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.901 11.456 2.098 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.368 4.828 -0.258 1.00 0.00 N ATOM 1632 CA PHE A 108 -14.002 4.418 0.046 1.00 0.00 C ATOM 1633 C PHE A 108 -12.994 5.282 -0.708 1.00 0.00 C ATOM 1634 O PHE A 108 -13.275 5.767 -1.803 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.797 2.945 -0.313 1.00 0.00 C ATOM 1636 CG PHE A 108 -14.940 2.063 0.100 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.452 2.126 1.386 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.502 1.170 -0.798 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.504 1.316 1.769 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.555 0.357 -0.421 1.00 0.00 C ATOM 1641 CZ PHE A 108 -17.055 0.430 0.865 1.00 0.00 C ATOM 0 H PHE A 108 -15.580 4.885 -1.254 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.839 4.550 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.652 2.858 -1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.883 2.588 0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.024 2.816 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.113 1.108 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.895 1.376 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.986 -0.334 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.876 -0.205 1.163 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.821 5.470 -0.112 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.773 6.276 -0.726 1.00 0.00 C ATOM 1653 C GLU A 109 -9.553 5.421 -1.058 1.00 0.00 C ATOM 1654 O GLU A 109 -9.159 4.553 -0.278 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.368 7.421 0.205 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.406 8.528 0.294 1.00 0.00 C ATOM 1657 CD GLU A 109 -11.619 9.236 -1.030 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -10.826 9.000 -1.964 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -12.581 10.026 -1.131 1.00 0.00 O ATOM 0 H GLU A 109 -11.573 5.075 0.795 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.167 6.693 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.189 7.021 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.426 7.845 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.353 8.107 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.093 9.255 1.044 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.961 5.672 -2.221 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.787 4.925 -2.658 1.00 0.00 C ATOM 1668 C CYS A 110 -6.566 5.835 -2.747 1.00 0.00 C ATOM 1669 O CYS A 110 -6.531 6.767 -3.552 1.00 0.00 O ATOM 1670 CB CYS A 110 -8.050 4.270 -4.014 1.00 0.00 C ATOM 1671 SG CYS A 110 -6.719 3.186 -4.581 1.00 0.00 S ATOM 0 H CYS A 110 -9.275 6.387 -2.878 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.585 4.148 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -8.973 3.693 -3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.210 5.051 -4.758 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.689 3.904 -4.919 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.567 5.560 -1.914 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.344 6.354 -1.898 1.00 0.00 C ATOM 1679 C HIS A 111 -3.230 5.652 -2.669 1.00 0.00 C ATOM 1680 O HIS A 111 -2.921 4.488 -2.411 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.899 6.615 -0.459 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.823 7.517 0.299 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -4.898 8.876 0.077 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.714 7.249 1.282 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -5.795 9.404 0.890 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.305 8.438 1.632 1.00 0.00 N ATOM 0 H HIS A 111 -5.581 4.793 -1.241 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.553 7.307 -2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.821 5.663 0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.902 7.056 -0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.922 6.280 1.711 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.065 10.448 0.940 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.021 8.556 2.348 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.631 6.367 -3.616 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.551 5.812 -4.424 1.00 0.00 C ATOM 1696 C VAL A 112 -0.204 6.403 -4.021 1.00 0.00 C ATOM 1697 O VAL A 112 -0.112 7.577 -3.660 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.784 6.070 -5.924 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.693 5.410 -6.755 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.159 5.572 -6.343 1.00 0.00 C ATOM 0 H VAL A 112 -2.875 7.331 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.541 4.737 -4.245 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.743 7.145 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.874 5.603 -7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.277 5.819 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.700 4.335 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.307 5.762 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.232 4.501 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.925 6.095 -5.771 1.00 0.00 H new ATOM 1710 N PHE A 113 0.839 5.582 -4.086 1.00 0.00 N ATOM 1711 CA PHE A 113 2.182 6.023 -3.727 1.00 0.00 C ATOM 1712 C PHE A 113 3.230 5.335 -4.596 1.00 0.00 C ATOM 1713 O PHE A 113 3.154 4.131 -4.843 1.00 0.00 O ATOM 1714 CB PHE A 113 2.459 5.735 -2.250 1.00 0.00 C ATOM 1715 CG PHE A 113 1.421 6.302 -1.324 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.262 5.596 -1.046 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.604 7.542 -0.733 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.695 6.114 -0.194 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.650 8.065 0.120 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.501 7.351 0.389 1.00 0.00 C ATOM 0 H PHE A 113 0.780 4.608 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 113 2.242 7.098 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.516 4.656 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.434 6.145 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.104 4.629 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.501 8.106 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.593 5.552 0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.805 9.032 0.576 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.248 7.759 1.054 1.00 0.00 H new ATOM 1730 N TRP A 114 4.207 6.107 -5.057 1.00 0.00 N ATOM 1731 CA TRP A 114 5.271 5.572 -5.899 1.00 0.00 C ATOM 1732 C TRP A 114 6.415 5.027 -5.051 1.00 0.00 C ATOM 1733 O TRP A 114 7.112 5.783 -4.373 1.00 0.00 O ATOM 1734 CB TRP A 114 5.793 6.655 -6.846 1.00 0.00 C ATOM 1735 CG TRP A 114 6.823 6.152 -7.812 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.158 5.989 -7.576 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.601 5.751 -9.169 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.780 5.510 -8.704 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.847 5.354 -9.694 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.472 5.686 -9.989 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.992 4.901 -11.003 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.618 5.236 -11.288 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.869 4.848 -11.784 1.00 0.00 C ATOM 0 H TRP A 114 4.285 7.105 -4.862 1.00 0.00 H new ATOM 0 HA TRP A 114 4.858 4.753 -6.487 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.956 7.074 -7.404 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.222 7.466 -6.258 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.652 6.205 -6.640 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.775 5.304 -8.790 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.503 5.982 -9.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.956 4.602 -11.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.752 5.183 -11.932 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.949 4.500 -12.803 1.00 0.00 H new ATOM 1754 N CYS A 115 6.603 3.713 -5.093 1.00 0.00 N ATOM 1755 CA CYS A 115 7.663 3.067 -4.327 1.00 0.00 C ATOM 1756 C CYS A 115 8.976 3.076 -5.102 1.00 0.00 C ATOM 1757 O CYS A 115 8.998 3.350 -6.302 1.00 0.00 O ATOM 1758 CB CYS A 115 7.269 1.629 -3.985 1.00 0.00 C ATOM 1759 SG CYS A 115 5.664 1.478 -3.166 1.00 0.00 S ATOM 0 H CYS A 115 6.035 3.074 -5.649 1.00 0.00 H new ATOM 0 HA CYS A 115 7.803 3.628 -3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.254 1.040 -4.902 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.035 1.197 -3.341 1.00 0.00 H new ATOM 0 HG CYS A 115 5.419 0.225 -2.920 1.00 0.00 H new ATOM 1765 N GLU A 116 10.069 2.777 -4.407 1.00 0.00 N ATOM 1766 CA GLU A 116 11.388 2.753 -5.030 1.00 0.00 C ATOM 1767 C GLU A 116 12.324 1.806 -4.287 1.00 0.00 C ATOM 1768 O GLU A 116 12.468 1.866 -3.066 1.00 0.00 O ATOM 1769 CB GLU A 116 11.987 4.161 -5.060 1.00 0.00 C ATOM 1770 CG GLU A 116 11.239 5.122 -5.969 1.00 0.00 C ATOM 1771 CD GLU A 116 12.051 6.357 -6.307 1.00 0.00 C ATOM 1772 OE1 GLU A 116 12.818 6.310 -7.292 1.00 0.00 O ATOM 1773 OE2 GLU A 116 11.920 7.369 -5.588 1.00 0.00 O ATOM 0 H GLU A 116 10.068 2.548 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 116 11.272 2.393 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.996 4.565 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.025 4.098 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.967 4.607 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.310 5.424 -5.486 1.00 0.00 H new ATOM 1780 N PRO A 117 12.976 0.908 -5.040 1.00 0.00 N ATOM 1781 CA PRO A 117 12.812 0.826 -6.494 1.00 0.00 C ATOM 1782 C PRO A 117 11.435 0.307 -6.894 1.00 0.00 C ATOM 1783 O PRO A 117 10.759 0.897 -7.735 1.00 0.00 O ATOM 1784 CB PRO A 117 13.901 -0.163 -6.919 1.00 0.00 C ATOM 1785 CG PRO A 117 14.143 -1.001 -5.711 1.00 0.00 C ATOM 1786 CD PRO A 117 13.924 -0.097 -4.530 1.00 0.00 C ATOM 0 HA PRO A 117 12.896 1.803 -6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.576 -0.770 -7.764 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.808 0.356 -7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.462 -1.852 -5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.156 -1.404 -5.712 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.514 -0.640 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.855 0.362 -4.197 1.00 0.00 H new ATOM 1794 N ASN A 118 11.026 -0.801 -6.284 1.00 0.00 N ATOM 1795 CA ASN A 118 9.728 -1.400 -6.577 1.00 0.00 C ATOM 1796 C ASN A 118 8.870 -1.482 -5.318 1.00 0.00 C ATOM 1797 O ASN A 118 9.299 -1.083 -4.236 1.00 0.00 O ATOM 1798 CB ASN A 118 9.911 -2.796 -7.175 1.00 0.00 C ATOM 1799 CG ASN A 118 11.164 -3.483 -6.668 1.00 0.00 C ATOM 1800 OD1 ASN A 118 12.023 -3.889 -7.451 1.00 0.00 O ATOM 1801 ND2 ASN A 118 11.274 -3.616 -5.351 1.00 0.00 N ATOM 0 H ASN A 118 11.574 -1.302 -5.584 1.00 0.00 H new ATOM 0 HA ASN A 118 9.218 -0.765 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 118 9.042 -3.408 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.956 -2.720 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 118 12.095 -4.070 -4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 118 10.537 -3.264 -4.740 1.00 0.00 H new ATOM 1808 N ALA A 119 7.657 -2.002 -5.469 1.00 0.00 N ATOM 1809 CA ALA A 119 6.740 -2.139 -4.344 1.00 0.00 C ATOM 1810 C ALA A 119 6.773 -3.555 -3.778 1.00 0.00 C ATOM 1811 O ALA A 119 5.730 -4.152 -3.514 1.00 0.00 O ATOM 1812 CB ALA A 119 5.326 -1.771 -4.768 1.00 0.00 C ATOM 0 H ALA A 119 7.286 -2.335 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 119 7.062 -1.455 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.652 -1.878 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.308 -0.739 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.004 -2.432 -5.572 1.00 0.00 H new ATOM 1818 N ALA A 120 7.977 -4.087 -3.596 1.00 0.00 N ATOM 1819 CA ALA A 120 8.145 -5.432 -3.061 1.00 0.00 C ATOM 1820 C ALA A 120 8.183 -5.415 -1.536 1.00 0.00 C ATOM 1821 O ALA A 120 7.474 -6.177 -0.880 1.00 0.00 O ATOM 1822 CB ALA A 120 9.412 -6.066 -3.615 1.00 0.00 C ATOM 0 H ALA A 120 8.851 -3.607 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 120 7.288 -6.029 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.525 -7.070 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.346 -6.121 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.274 -5.461 -3.334 1.00 0.00 H new ATOM 1828 N ASN A 121 9.016 -4.542 -0.979 1.00 0.00 N ATOM 1829 CA ASN A 121 9.147 -4.427 0.469 1.00 0.00 C ATOM 1830 C ASN A 121 7.920 -3.751 1.074 1.00 0.00 C ATOM 1831 O ASN A 121 7.482 -4.101 2.170 1.00 0.00 O ATOM 1832 CB ASN A 121 10.407 -3.637 0.827 1.00 0.00 C ATOM 1833 CG ASN A 121 11.573 -3.964 -0.086 1.00 0.00 C ATOM 1834 OD1 ASN A 121 12.090 -3.095 -0.787 1.00 0.00 O ATOM 1835 ND2 ASN A 121 11.993 -5.224 -0.080 1.00 0.00 N ATOM 0 H ASN A 121 9.610 -3.904 -1.508 1.00 0.00 H new ATOM 0 HA ASN A 121 9.227 -5.432 0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.192 -2.570 0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.686 -3.851 1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.774 -5.504 -0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.534 -5.912 0.518 1.00 0.00 H new ATOM 1842 N VAL A 122 7.369 -2.781 0.352 1.00 0.00 N ATOM 1843 CA VAL A 122 6.192 -2.056 0.816 1.00 0.00 C ATOM 1844 C VAL A 122 4.958 -2.951 0.809 1.00 0.00 C ATOM 1845 O VAL A 122 4.301 -3.129 1.835 1.00 0.00 O ATOM 1846 CB VAL A 122 5.918 -0.815 -0.053 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.630 -0.132 0.382 1.00 0.00 C ATOM 1848 CG2 VAL A 122 7.091 0.151 0.013 1.00 0.00 C ATOM 0 H VAL A 122 7.719 -2.479 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 122 6.399 -1.736 1.837 1.00 0.00 H new ATOM 0 HB VAL A 122 5.799 -1.137 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.453 0.743 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.797 -0.827 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.716 0.178 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.880 1.022 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.244 0.468 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.991 -0.344 -0.351 1.00 0.00 H new ATOM 1858 N SER A 123 4.648 -3.514 -0.355 1.00 0.00 N ATOM 1859 CA SER A 123 3.490 -4.388 -0.498 1.00 0.00 C ATOM 1860 C SER A 123 3.614 -5.606 0.413 1.00 0.00 C ATOM 1861 O SER A 123 2.618 -6.116 0.924 1.00 0.00 O ATOM 1862 CB SER A 123 3.340 -4.838 -1.952 1.00 0.00 C ATOM 1863 OG SER A 123 3.045 -3.739 -2.797 1.00 0.00 O ATOM 0 H SER A 123 5.183 -3.380 -1.213 1.00 0.00 H new ATOM 0 HA SER A 123 2.603 -3.826 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.260 -5.320 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.546 -5.581 -2.026 1.00 0.00 H new ATOM 0 HG SER A 123 2.412 -3.141 -2.347 1.00 0.00 H new ATOM 1869 N GLU A 124 4.846 -6.067 0.610 1.00 0.00 N ATOM 1870 CA GLU A 124 5.101 -7.226 1.457 1.00 0.00 C ATOM 1871 C GLU A 124 4.782 -6.913 2.916 1.00 0.00 C ATOM 1872 O GLU A 124 4.119 -7.694 3.599 1.00 0.00 O ATOM 1873 CB GLU A 124 6.559 -7.671 1.326 1.00 0.00 C ATOM 1874 CG GLU A 124 6.899 -8.894 2.160 1.00 0.00 C ATOM 1875 CD GLU A 124 8.338 -9.340 1.982 1.00 0.00 C ATOM 1876 OE1 GLU A 124 9.206 -8.855 2.738 1.00 0.00 O ATOM 1877 OE2 GLU A 124 8.595 -10.173 1.088 1.00 0.00 O ATOM 0 H GLU A 124 5.682 -5.656 0.195 1.00 0.00 H new ATOM 0 HA GLU A 124 4.451 -8.036 1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.772 -7.885 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.209 -6.848 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.718 -8.673 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.233 -9.712 1.887 1.00 0.00 H new ATOM 1884 N ALA A 125 5.259 -5.766 3.387 1.00 0.00 N ATOM 1885 CA ALA A 125 5.024 -5.348 4.764 1.00 0.00 C ATOM 1886 C ALA A 125 3.532 -5.216 5.051 1.00 0.00 C ATOM 1887 O ALA A 125 3.023 -5.784 6.017 1.00 0.00 O ATOM 1888 CB ALA A 125 5.736 -4.034 5.046 1.00 0.00 C ATOM 0 H ALA A 125 5.811 -5.109 2.835 1.00 0.00 H new ATOM 0 HA ALA A 125 5.428 -6.116 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.552 -3.734 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.807 -4.160 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.360 -3.264 4.372 1.00 0.00 H new ATOM 1894 N VAL A 126 2.836 -4.462 4.206 1.00 0.00 N ATOM 1895 CA VAL A 126 1.402 -4.256 4.368 1.00 0.00 C ATOM 1896 C VAL A 126 0.639 -5.569 4.232 1.00 0.00 C ATOM 1897 O VAL A 126 -0.232 -5.878 5.044 1.00 0.00 O ATOM 1898 CB VAL A 126 0.860 -3.250 3.336 1.00 0.00 C ATOM 1899 CG1 VAL A 126 1.159 -3.722 1.922 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.634 -3.039 3.532 1.00 0.00 C ATOM 0 H VAL A 126 3.242 -3.984 3.402 1.00 0.00 H new ATOM 0 HA VAL A 126 1.251 -3.854 5.370 1.00 0.00 H new ATOM 0 HB VAL A 126 1.362 -2.294 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.768 -2.998 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.237 -3.817 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.686 -4.690 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.000 -2.325 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.155 -3.988 3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.818 -2.652 4.534 1.00 0.00 H new ATOM 1910 N GLN A 127 0.973 -6.336 3.200 1.00 0.00 N ATOM 1911 CA GLN A 127 0.319 -7.617 2.957 1.00 0.00 C ATOM 1912 C GLN A 127 0.416 -8.519 4.183 1.00 0.00 C ATOM 1913 O GLN A 127 -0.597 -8.974 4.713 1.00 0.00 O ATOM 1914 CB GLN A 127 0.944 -8.312 1.746 1.00 0.00 C ATOM 1915 CG GLN A 127 0.249 -9.609 1.364 1.00 0.00 C ATOM 1916 CD GLN A 127 0.824 -10.229 0.105 1.00 0.00 C ATOM 1917 OE1 GLN A 127 2.011 -10.548 0.043 1.00 0.00 O ATOM 1918 NE2 GLN A 127 -0.019 -10.404 -0.906 1.00 0.00 N ATOM 0 H GLN A 127 1.692 -6.093 2.519 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.734 -7.425 2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.920 -7.632 0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.993 -8.520 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.335 -10.319 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.814 -9.418 1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -0.995 -10.125 -0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 127 0.310 -10.818 -1.778 1.00 0.00 H new ATOM 1927 N ALA A 128 1.642 -8.773 4.628 1.00 0.00 N ATOM 1928 CA ALA A 128 1.871 -9.620 5.792 1.00 0.00 C ATOM 1929 C ALA A 128 1.231 -9.022 7.041 1.00 0.00 C ATOM 1930 O ALA A 128 0.579 -9.725 7.812 1.00 0.00 O ATOM 1931 CB ALA A 128 3.363 -9.826 6.009 1.00 0.00 C ATOM 0 H ALA A 128 2.492 -8.405 4.200 1.00 0.00 H new ATOM 0 HA ALA A 128 1.405 -10.587 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.520 -10.460 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.796 -10.304 5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.844 -8.861 6.171 1.00 0.00 H new ATOM 1937 N ALA A 129 1.423 -7.721 7.233 1.00 0.00 N ATOM 1938 CA ALA A 129 0.863 -7.029 8.387 1.00 0.00 C ATOM 1939 C ALA A 129 -0.495 -7.608 8.768 1.00 0.00 C ATOM 1940 O ALA A 129 -0.783 -7.815 9.948 1.00 0.00 O ATOM 1941 CB ALA A 129 0.743 -5.539 8.102 1.00 0.00 C ATOM 0 H ALA A 129 1.962 -7.125 6.604 1.00 0.00 H new ATOM 0 HA ALA A 129 1.539 -7.173 9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.323 -5.035 8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.730 -5.129 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.090 -5.384 7.243 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.326 -7.866 7.765 1.00 0.00 N ATOM 1948 CA CYS A 130 -2.655 -8.420 7.995 1.00 0.00 C ATOM 1949 C CYS A 130 -2.579 -9.674 8.860 1.00 0.00 C ATOM 1950 O CYS A 130 -3.219 -9.758 9.907 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.334 -8.744 6.664 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.627 -7.301 5.614 1.00 0.00 S ATOM 0 H CYS A 130 -1.103 -7.700 6.784 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.247 -7.672 8.523 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -2.717 -9.458 6.118 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.287 -9.234 6.864 1.00 0.00 H new ATOM 0 HG CYS A 130 -4.194 -7.678 4.507 1.00 0.00 H new ATOM 2337 N HIS A 163 5.847 -12.284 -6.405 1.00 0.00 N ATOM 2338 CA HIS A 163 4.844 -11.655 -5.553 1.00 0.00 C ATOM 2339 C HIS A 163 4.267 -10.410 -6.221 1.00 0.00 C ATOM 2340 O HIS A 163 3.049 -10.261 -6.333 1.00 0.00 O ATOM 2341 CB HIS A 163 5.452 -11.287 -4.200 1.00 0.00 C ATOM 2342 CG HIS A 163 4.732 -10.174 -3.503 1.00 0.00 C ATOM 2343 ND1 HIS A 163 3.504 -10.334 -2.897 1.00 0.00 N ATOM 2344 CD2 HIS A 163 5.075 -8.878 -3.316 1.00 0.00 C ATOM 2345 CE1 HIS A 163 3.122 -9.185 -2.369 1.00 0.00 C ATOM 2346 NE2 HIS A 163 4.058 -8.285 -2.609 1.00 0.00 N ATOM 0 HA HIS A 163 4.036 -12.369 -5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.450 -12.168 -3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.494 -11.000 -4.345 1.00 0.00 H new ATOM 0 HD1 HIS A 163 2.973 -11.204 -2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 163 5.980 -8.399 -3.659 1.00 0.00 H new ATOM 0 HE1 HIS A 163 2.201 -9.011 -1.832 1.00 0.00 H new ATOM 2354 N LEU A 164 5.148 -9.519 -6.661 1.00 0.00 N ATOM 2355 CA LEU A 164 4.727 -8.286 -7.317 1.00 0.00 C ATOM 2356 C LEU A 164 3.685 -8.571 -8.394 1.00 0.00 C ATOM 2357 O LEU A 164 2.601 -7.986 -8.394 1.00 0.00 O ATOM 2358 CB LEU A 164 5.933 -7.576 -7.934 1.00 0.00 C ATOM 2359 CG LEU A 164 6.826 -6.804 -6.962 1.00 0.00 C ATOM 2360 CD1 LEU A 164 8.191 -6.546 -7.582 1.00 0.00 C ATOM 2361 CD2 LEU A 164 6.166 -5.494 -6.557 1.00 0.00 C ATOM 0 H LEU A 164 6.159 -9.627 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 164 4.278 -7.638 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.544 -8.319 -8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.572 -6.883 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 164 6.965 -7.410 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.813 -5.996 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.668 -7.497 -7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.072 -5.961 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.816 -4.958 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.997 -4.883 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.212 -5.702 -6.072 1.00 0.00 H new ATOM 2373 N SER A 165 4.019 -9.475 -9.310 1.00 0.00 N ATOM 2374 CA SER A 165 3.113 -9.837 -10.393 1.00 0.00 C ATOM 2375 C SER A 165 1.735 -10.204 -9.850 1.00 0.00 C ATOM 2376 O SER A 165 0.713 -9.723 -10.339 1.00 0.00 O ATOM 2377 CB SER A 165 3.685 -11.007 -11.196 1.00 0.00 C ATOM 2378 OG SER A 165 4.783 -10.591 -11.990 1.00 0.00 O ATOM 0 H SER A 165 4.911 -9.970 -9.323 1.00 0.00 H new ATOM 0 HA SER A 165 3.008 -8.973 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 165 4.002 -11.798 -10.517 1.00 0.00 H new ATOM 0 HB3 SER A 165 2.909 -11.428 -11.835 1.00 0.00 H new ATOM 0 HG SER A 165 5.132 -11.357 -12.492 1.00 0.00 H new ATOM 2384 N LYS A 166 1.716 -11.060 -8.834 1.00 0.00 N ATOM 2385 CA LYS A 166 0.466 -11.493 -8.221 1.00 0.00 C ATOM 2386 C LYS A 166 -0.363 -10.294 -7.771 1.00 0.00 C ATOM 2387 O LYS A 166 -1.572 -10.245 -7.995 1.00 0.00 O ATOM 2388 CB LYS A 166 0.749 -12.407 -7.027 1.00 0.00 C ATOM 2389 CG LYS A 166 1.501 -13.674 -7.396 1.00 0.00 C ATOM 2390 CD LYS A 166 1.310 -14.760 -6.350 1.00 0.00 C ATOM 2391 CE LYS A 166 2.346 -14.654 -5.242 1.00 0.00 C ATOM 2392 NZ LYS A 166 1.907 -13.732 -4.158 1.00 0.00 N ATOM 0 H LYS A 166 2.553 -11.468 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 166 -0.103 -12.047 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.327 -11.854 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -0.196 -12.679 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 166 1.154 -14.035 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.563 -13.451 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 166 0.310 -14.684 -5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 166 1.381 -15.739 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 166 2.533 -15.643 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 166 3.289 -14.301 -5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 2.457 -13.922 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 2.060 -12.748 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 0.896 -13.881 -3.963 1.00 0.00 H new ATOM 2406 N MET A 167 0.296 -9.329 -7.138 1.00 0.00 N ATOM 2407 CA MET A 167 -0.381 -8.129 -6.660 1.00 0.00 C ATOM 2408 C MET A 167 -1.104 -7.421 -7.801 1.00 0.00 C ATOM 2409 O MET A 167 -2.176 -6.849 -7.608 1.00 0.00 O ATOM 2410 CB MET A 167 0.623 -7.176 -6.009 1.00 0.00 C ATOM 2411 CG MET A 167 1.308 -7.759 -4.783 1.00 0.00 C ATOM 2412 SD MET A 167 0.141 -8.494 -3.620 1.00 0.00 S ATOM 2413 CE MET A 167 -0.252 -7.079 -2.595 1.00 0.00 C ATOM 0 H MET A 167 1.297 -9.354 -6.944 1.00 0.00 H new ATOM 0 HA MET A 167 -1.119 -8.431 -5.917 1.00 0.00 H new ATOM 0 HB2 MET A 167 1.381 -6.903 -6.743 1.00 0.00 H new ATOM 0 HB3 MET A 167 0.109 -6.258 -5.725 1.00 0.00 H new ATOM 0 HG2 MET A 167 2.026 -8.516 -5.098 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.872 -6.974 -4.279 1.00 0.00 H new ATOM 0 HE1 MET A 167 -1.134 -7.299 -1.994 1.00 0.00 H new ATOM 0 HE2 MET A 167 0.590 -6.861 -1.938 1.00 0.00 H new ATOM 0 HE3 MET A 167 -0.451 -6.215 -3.229 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.510 -7.464 -8.990 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.098 -6.826 -10.161 1.00 0.00 C ATOM 2425 C GLN A 168 -2.141 -7.731 -10.808 1.00 0.00 C ATOM 2426 O GLN A 168 -3.071 -7.255 -11.458 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.010 -6.474 -11.177 1.00 0.00 C ATOM 2428 CG GLN A 168 1.043 -5.521 -10.635 1.00 0.00 C ATOM 2429 CD GLN A 168 2.293 -5.485 -11.491 1.00 0.00 C ATOM 2430 OE1 GLN A 168 3.108 -6.408 -11.461 1.00 0.00 O ATOM 2431 NE2 GLN A 168 2.452 -4.415 -12.262 1.00 0.00 N ATOM 0 H GLN A 168 0.378 -7.934 -9.167 1.00 0.00 H new ATOM 0 HA GLN A 168 -1.591 -5.910 -9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 168 0.478 -7.391 -11.507 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -0.476 -6.027 -12.055 1.00 0.00 H new ATOM 0 HG2 GLN A 168 0.622 -4.518 -10.572 1.00 0.00 H new ATOM 0 HG3 GLN A 168 1.310 -5.819 -9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.752 -3.673 -12.256 1.00 0.00 H new ATOM 0 HE22 GLN A 168 3.274 -4.335 -12.860 1.00 0.00 H new ATOM 2440 N GLN A 169 -1.979 -9.037 -10.626 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.906 -10.009 -11.193 1.00 0.00 C ATOM 2442 C GLN A 169 -4.269 -9.922 -10.513 1.00 0.00 C ATOM 2443 O GLN A 169 -5.237 -9.441 -11.100 1.00 0.00 O ATOM 2444 CB GLN A 169 -2.343 -11.424 -11.055 1.00 0.00 C ATOM 2445 CG GLN A 169 -1.195 -11.717 -12.007 1.00 0.00 C ATOM 2446 CD GLN A 169 -1.605 -11.622 -13.464 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -2.778 -11.786 -13.802 1.00 0.00 O ATOM 2448 NE2 GLN A 169 -0.639 -11.356 -14.335 1.00 0.00 N ATOM 0 H GLN A 169 -1.214 -9.447 -10.090 1.00 0.00 H new ATOM 0 HA GLN A 169 -3.033 -9.778 -12.251 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -2.001 -11.572 -10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -3.143 -12.143 -11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -0.382 -11.016 -11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.808 -12.716 -11.807 1.00 0.00 H new ATOM 0 HE21 GLN A 169 0.319 -11.228 -14.010 1.00 0.00 H new ATOM 0 HE22 GLN A 169 -0.855 -11.280 -15.329 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.336 -10.392 -9.272 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.580 -10.368 -8.512 1.00 0.00 C ATOM 2459 C ASN A 170 -5.506 -9.350 -7.378 1.00 0.00 C ATOM 2460 O ASN A 170 -6.442 -8.583 -7.156 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.883 -11.757 -7.946 1.00 0.00 C ATOM 2462 CG ASN A 170 -5.008 -12.099 -6.755 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -5.468 -12.099 -5.613 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.740 -12.393 -7.017 1.00 0.00 N ATOM 0 H ASN A 170 -3.543 -10.794 -8.771 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.383 -10.075 -9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.931 -11.805 -7.649 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.738 -12.504 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -3.104 -12.631 -6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.402 -12.381 -7.979 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.385 -9.349 -6.663 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.209 -8.421 -5.561 1.00 0.00 C ATOM 2473 C GLY A 171 -4.500 -9.056 -4.216 1.00 0.00 C ATOM 2474 O GLY A 171 -4.289 -10.254 -4.029 1.00 0.00 O ATOM 0 H GLY A 171 -3.596 -9.974 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.186 -8.044 -5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -4.866 -7.563 -5.704 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.985 -8.251 -3.276 1.00 0.00 N ATOM 2479 CA TYR A 172 -5.301 -8.741 -1.940 1.00 0.00 C ATOM 2480 C TYR A 172 -6.610 -8.140 -1.435 1.00 0.00 C ATOM 2481 O TYR A 172 -6.768 -6.921 -1.389 1.00 0.00 O ATOM 2482 CB TYR A 172 -4.167 -8.408 -0.970 1.00 0.00 C ATOM 2483 CG TYR A 172 -4.344 -9.018 0.402 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -5.077 -8.366 1.386 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -3.778 -10.249 0.714 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -5.240 -8.920 2.640 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -3.938 -10.812 1.966 1.00 0.00 C ATOM 2488 CZ TYR A 172 -4.669 -10.143 2.925 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.831 -10.699 4.174 1.00 0.00 O ATOM 0 H TYR A 172 -5.167 -7.257 -3.415 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.416 -9.823 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -3.224 -8.755 -1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -4.092 -7.325 -0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -5.527 -7.409 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -3.204 -10.774 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -5.811 -8.399 3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -3.493 -11.770 2.192 1.00 0.00 H new ATOM 0 HH TYR A 172 -4.368 -11.562 4.211 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.544 -9.007 -1.058 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.840 -8.562 -0.557 1.00 0.00 C ATOM 2501 C GLU A 173 -8.954 -8.803 0.946 1.00 0.00 C ATOM 2502 O GLU A 173 -8.883 -9.941 1.410 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.971 -9.288 -1.288 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.989 -9.033 -2.786 1.00 0.00 C ATOM 2505 CD GLU A 173 -10.698 -10.130 -3.556 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -10.801 -11.256 -3.024 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -11.150 -9.864 -4.689 1.00 0.00 O ATOM 0 H GLU A 173 -7.428 -10.020 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.925 -7.491 -0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.878 -10.360 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.925 -8.977 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.481 -8.080 -2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -8.965 -8.944 -3.148 1.00 0.00 H new ATOM 2514 N ASN A 174 -9.129 -7.724 1.701 1.00 0.00 N ATOM 2515 CA ASN A 174 -9.252 -7.817 3.151 1.00 0.00 C ATOM 2516 C ASN A 174 -10.512 -8.583 3.542 1.00 0.00 C ATOM 2517 O ASN A 174 -11.624 -8.251 3.130 1.00 0.00 O ATOM 2518 CB ASN A 174 -9.278 -6.419 3.773 1.00 0.00 C ATOM 2519 CG ASN A 174 -8.613 -6.380 5.135 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -7.757 -7.209 5.445 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -9.006 -5.413 5.957 1.00 0.00 N ATOM 0 H ASN A 174 -9.189 -6.775 1.333 1.00 0.00 H new ATOM 0 HA ASN A 174 -8.386 -8.360 3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.776 -5.718 3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -10.311 -6.085 3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -8.595 -5.336 6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -9.719 -4.748 5.658 1.00 0.00 H new