USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 MET CE :methyl -133:sc= -0.928 (180deg=-4.64!) USER MOD Set 1.2: A 130 CYS SG : rot 167:sc= 0.288 USER MOD Set 2.1: A 127 GLN :FLIP amide:sc= -0.614 F(o=-1.5,f=-0.61) USER MOD Set 2.2: A 167 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 123 SER OG : rot -99:sc= 1.25 USER MOD Set 3.2: A 163 HIS : no HD1:sc= 0.0165 X(o=1.3,f=0.92) USER MOD Single : A 16 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= -0.0286 (180deg=-0.209) USER MOD Single : A 21 GLN : amide:sc= -0.0228 X(o=-0.023,f=-0.16) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.291 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 175:sc= -2.1 (180deg=-2.19) USER MOD Single : A 36 THR OG1 : rot -150:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -1.22 F(o=-2.3!,f=-1.2) USER MOD Single : A 45 MET CE :methyl -179:sc= -2.57! (180deg=-2.61!) USER MOD Single : A 46 THR OG1 : rot -24:sc= 0.328 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0.789 (180deg=0.0164) USER MOD Single : A 55 SER OG : rot 170:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.6) USER MOD Single : A 58 MET CE :methyl -145:sc= -3.32! (180deg=-3.51) USER MOD Single : A 59 ASN :FLIP amide:sc= -1.13 F(o=-2.4,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0893 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= -6.05 K(o=-6,f=-17!) USER MOD Single : A 80 CYS SG : rot 153:sc= 1.18 USER MOD Single : A 86 SER OG : rot -55:sc= 0.2 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.125 K(o=-0.12,f=-0.94) USER MOD Single : A 96 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 101 MET CE :methyl 141:sc= -0.634 (180deg=-3.04!) USER MOD Single : A 103 THR OG1 : rot 156:sc= 1.09 USER MOD Single : A 110 CYS SG : rot 20:sc= -1.07 USER MOD Single : A 111 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-2.9) USER MOD Single : A 115 CYS SG : rot 60:sc= -3.26! USER MOD Single : A 118 ASN :FLIP amide:sc= -1.8! F(o=-2.4,f=-1.8!) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.053) USER MOD Single : A 168 GLN : amide:sc= 0.0646 X(o=0.065,f=0) USER MOD Single : A 169 GLN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 170 ASN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.702 K(o=-0.7,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.101 0.072 14.184 1.00 0.00 N ATOM 179 CA VAL A 15 6.657 0.496 12.862 1.00 0.00 C ATOM 180 C VAL A 15 7.842 0.718 11.930 1.00 0.00 C ATOM 181 O VAL A 15 8.927 1.098 12.369 1.00 0.00 O ATOM 182 CB VAL A 15 5.827 1.791 12.937 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.662 2.928 13.506 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.282 2.154 11.564 1.00 0.00 C ATOM 0 HA VAL A 15 6.032 -0.304 12.466 1.00 0.00 H new ATOM 0 HB VAL A 15 4.982 1.623 13.605 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.059 3.835 13.551 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.999 2.666 14.509 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.527 3.100 12.866 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.698 3.072 11.635 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.110 2.304 10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.646 1.347 11.200 1.00 0.00 H new ATOM 194 N GLN A 16 7.627 0.478 10.640 1.00 0.00 N ATOM 195 CA GLN A 16 8.678 0.652 9.645 1.00 0.00 C ATOM 196 C GLN A 16 8.275 1.689 8.602 1.00 0.00 C ATOM 197 O GLN A 16 7.229 1.568 7.964 1.00 0.00 O ATOM 198 CB GLN A 16 8.990 -0.681 8.963 1.00 0.00 C ATOM 199 CG GLN A 16 9.757 -1.652 9.846 1.00 0.00 C ATOM 200 CD GLN A 16 9.878 -3.032 9.229 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.979 -3.559 9.072 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.743 -3.624 8.877 1.00 0.00 N ATOM 0 H GLN A 16 6.734 0.163 10.260 1.00 0.00 H new ATOM 0 HA GLN A 16 9.572 1.008 10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.055 -1.147 8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.569 -0.490 8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.754 -1.254 10.036 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.257 -1.732 10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.853 -3.149 9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.761 -4.554 8.458 1.00 0.00 H new ATOM 211 N LYS A 17 9.111 2.707 8.433 1.00 0.00 N ATOM 212 CA LYS A 17 8.843 3.766 7.466 1.00 0.00 C ATOM 213 C LYS A 17 9.589 3.511 6.160 1.00 0.00 C ATOM 214 O LYS A 17 10.665 2.914 6.155 1.00 0.00 O ATOM 215 CB LYS A 17 9.248 5.125 8.041 1.00 0.00 C ATOM 216 CG LYS A 17 10.751 5.340 8.093 1.00 0.00 C ATOM 217 CD LYS A 17 11.108 6.810 7.959 1.00 0.00 C ATOM 218 CE LYS A 17 11.171 7.494 9.316 1.00 0.00 C ATOM 219 NZ LYS A 17 12.358 7.059 10.102 1.00 0.00 N ATOM 0 H LYS A 17 9.981 2.822 8.953 1.00 0.00 H new ATOM 0 HA LYS A 17 7.773 3.772 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.797 5.914 7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.841 5.220 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.142 4.954 9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.228 4.774 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.070 6.907 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.369 7.309 7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.204 8.575 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.263 7.272 9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.561 7.761 10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.163 6.138 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.180 6.974 9.471 1.00 0.00 H new ATOM 233 N PHE A 18 9.011 3.970 5.055 1.00 0.00 N ATOM 234 CA PHE A 18 9.621 3.793 3.743 1.00 0.00 C ATOM 235 C PHE A 18 9.600 5.097 2.952 1.00 0.00 C ATOM 236 O PHE A 18 8.614 5.835 2.977 1.00 0.00 O ATOM 237 CB PHE A 18 8.893 2.697 2.961 1.00 0.00 C ATOM 238 CG PHE A 18 8.846 1.379 3.680 1.00 0.00 C ATOM 239 CD1 PHE A 18 7.797 1.077 4.533 1.00 0.00 C ATOM 240 CD2 PHE A 18 9.850 0.441 3.500 1.00 0.00 C ATOM 241 CE1 PHE A 18 7.752 -0.135 5.196 1.00 0.00 C ATOM 242 CE2 PHE A 18 9.810 -0.773 4.160 1.00 0.00 C ATOM 243 CZ PHE A 18 8.759 -1.062 5.008 1.00 0.00 C ATOM 0 H PHE A 18 8.121 4.467 5.042 1.00 0.00 H new ATOM 0 HA PHE A 18 10.659 3.495 3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.875 3.025 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.386 2.560 1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 18 7.006 1.797 4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.673 0.661 2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.930 -0.357 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.600 -1.495 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.724 -2.011 5.523 1.00 0.00 H new ATOM 253 N ARG A 19 10.694 5.376 2.251 1.00 0.00 N ATOM 254 CA ARG A 19 10.802 6.592 1.454 1.00 0.00 C ATOM 255 C ARG A 19 10.076 6.435 0.121 1.00 0.00 C ATOM 256 O ARG A 19 10.509 5.679 -0.748 1.00 0.00 O ATOM 257 CB ARG A 19 12.272 6.937 1.209 1.00 0.00 C ATOM 258 CG ARG A 19 12.480 8.309 0.588 1.00 0.00 C ATOM 259 CD ARG A 19 12.447 8.244 -0.931 1.00 0.00 C ATOM 260 NE ARG A 19 12.654 9.556 -1.539 1.00 0.00 N ATOM 261 CZ ARG A 19 12.926 9.734 -2.827 1.00 0.00 C ATOM 262 NH1 ARG A 19 13.022 8.689 -3.638 1.00 0.00 N ATOM 263 NH2 ARG A 19 13.100 10.959 -3.307 1.00 0.00 N ATOM 0 H ARG A 19 11.518 4.776 2.219 1.00 0.00 H new ATOM 0 HA ARG A 19 10.333 7.404 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.810 6.891 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.710 6.182 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.706 8.990 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.437 8.716 0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.217 7.556 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.488 7.841 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 19 12.586 10.380 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.887 7.746 -3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.231 8.828 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.025 11.765 -2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.309 11.094 -4.296 1.00 0.00 H new ATOM 277 N VAL A 20 8.968 7.154 -0.032 1.00 0.00 N ATOM 278 CA VAL A 20 8.182 7.095 -1.258 1.00 0.00 C ATOM 279 C VAL A 20 7.607 8.463 -1.608 1.00 0.00 C ATOM 280 O VAL A 20 7.871 9.451 -0.924 1.00 0.00 O ATOM 281 CB VAL A 20 7.029 6.082 -1.137 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.573 4.669 -0.987 1.00 0.00 C ATOM 283 CG2 VAL A 20 6.124 6.441 0.032 1.00 0.00 C ATOM 0 H VAL A 20 8.595 7.784 0.678 1.00 0.00 H new ATOM 0 HA VAL A 20 8.857 6.773 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 20 6.436 6.122 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.744 3.967 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.175 4.416 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.191 4.610 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.315 5.714 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.702 6.431 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.706 7.436 -0.124 1.00 0.00 H new ATOM 293 N GLN A 21 6.819 8.512 -2.678 1.00 0.00 N ATOM 294 CA GLN A 21 6.207 9.759 -3.119 1.00 0.00 C ATOM 295 C GLN A 21 4.686 9.673 -3.050 1.00 0.00 C ATOM 296 O GLN A 21 4.121 8.586 -2.930 1.00 0.00 O ATOM 297 CB GLN A 21 6.647 10.092 -4.545 1.00 0.00 C ATOM 298 CG GLN A 21 8.044 10.687 -4.628 1.00 0.00 C ATOM 299 CD GLN A 21 8.526 10.847 -6.056 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.291 10.025 -6.561 1.00 0.00 O ATOM 301 NE2 GLN A 21 8.081 11.910 -6.716 1.00 0.00 N ATOM 0 H GLN A 21 6.590 7.703 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 21 6.538 10.553 -2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.611 9.185 -5.148 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.936 10.794 -4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.051 11.659 -4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.740 10.049 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.448 12.566 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.372 12.070 -7.680 1.00 0.00 H new ATOM 310 N TYR A 22 4.029 10.825 -3.128 1.00 0.00 N ATOM 311 CA TYR A 22 2.573 10.879 -3.072 1.00 0.00 C ATOM 312 C TYR A 22 1.994 11.348 -4.404 1.00 0.00 C ATOM 313 O TYR A 22 2.245 12.471 -4.843 1.00 0.00 O ATOM 314 CB TYR A 22 2.119 11.813 -1.949 1.00 0.00 C ATOM 315 CG TYR A 22 0.617 11.891 -1.796 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.179 10.767 -1.975 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.006 13.090 -1.472 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.552 10.834 -1.836 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.379 13.166 -1.330 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.147 12.036 -1.514 1.00 0.00 C ATOM 321 OH TYR A 22 -3.514 12.106 -1.374 1.00 0.00 O ATOM 0 H TYR A 22 4.481 11.733 -3.230 1.00 0.00 H new ATOM 0 HA TYR A 22 2.205 9.873 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.554 11.475 -1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.509 12.813 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.283 9.824 -2.227 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.592 13.978 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.156 9.950 -1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.847 14.105 -1.076 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.773 13.023 -1.145 1.00 0.00 H new ATOM 331 N LEU A 23 1.217 10.480 -5.041 1.00 0.00 N ATOM 332 CA LEU A 23 0.600 10.803 -6.323 1.00 0.00 C ATOM 333 C LEU A 23 -0.694 11.586 -6.123 1.00 0.00 C ATOM 334 O LEU A 23 -0.956 12.562 -6.825 1.00 0.00 O ATOM 335 CB LEU A 23 0.318 9.524 -7.113 1.00 0.00 C ATOM 336 CG LEU A 23 1.540 8.815 -7.700 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.107 7.816 -6.703 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.178 8.121 -9.005 1.00 0.00 C ATOM 0 H LEU A 23 0.999 9.547 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 23 1.296 11.425 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.204 8.825 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.363 9.767 -7.929 1.00 0.00 H new ATOM 0 HG LEU A 23 2.305 9.563 -7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.976 7.321 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.404 8.338 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.348 7.072 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.059 7.622 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.396 7.384 -8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.819 8.859 -9.722 1.00 0.00 H new ATOM 350 N GLY A 24 -1.499 11.151 -5.158 1.00 0.00 N ATOM 351 CA GLY A 24 -2.755 11.824 -4.881 1.00 0.00 C ATOM 352 C GLY A 24 -3.819 10.876 -4.364 1.00 0.00 C ATOM 353 O GLY A 24 -3.566 9.684 -4.192 1.00 0.00 O ATOM 0 H GLY A 24 -1.304 10.345 -4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.587 12.612 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.113 12.306 -5.790 1.00 0.00 H new ATOM 357 N MET A 25 -5.011 11.406 -4.113 1.00 0.00 N ATOM 358 CA MET A 25 -6.117 10.598 -3.611 1.00 0.00 C ATOM 359 C MET A 25 -7.267 10.569 -4.613 1.00 0.00 C ATOM 360 O MET A 25 -7.765 11.614 -5.032 1.00 0.00 O ATOM 361 CB MET A 25 -6.608 11.145 -2.269 1.00 0.00 C ATOM 362 CG MET A 25 -7.610 10.238 -1.574 1.00 0.00 C ATOM 363 SD MET A 25 -8.752 11.147 -0.515 1.00 0.00 S ATOM 364 CE MET A 25 -9.981 11.666 -1.710 1.00 0.00 C ATOM 0 H MET A 25 -5.236 12.391 -4.249 1.00 0.00 H new ATOM 0 HA MET A 25 -5.756 9.579 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.751 11.297 -1.612 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.064 12.122 -2.429 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.177 9.687 -2.324 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.074 9.502 -0.976 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.758 12.242 -1.207 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.508 12.284 -2.473 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.426 10.788 -2.179 1.00 0.00 H new ATOM 374 N LEU A 26 -7.684 9.366 -4.993 1.00 0.00 N ATOM 375 CA LEU A 26 -8.775 9.201 -5.946 1.00 0.00 C ATOM 376 C LEU A 26 -9.829 8.240 -5.405 1.00 0.00 C ATOM 377 O LEU A 26 -9.566 7.061 -5.168 1.00 0.00 O ATOM 378 CB LEU A 26 -8.238 8.687 -7.283 1.00 0.00 C ATOM 379 CG LEU A 26 -9.164 8.855 -8.488 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.492 8.154 -8.243 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.386 10.331 -8.788 1.00 0.00 C ATOM 0 H LEU A 26 -7.283 8.491 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.241 10.174 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.300 9.200 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.004 7.628 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.688 8.395 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.138 8.284 -9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.317 7.091 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.974 8.584 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.047 10.432 -9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.840 10.814 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.430 10.805 -9.008 1.00 0.00 H new ATOM 393 N PRO A 27 -11.053 8.753 -5.208 1.00 0.00 N ATOM 394 CA PRO A 27 -12.172 7.956 -4.696 1.00 0.00 C ATOM 395 C PRO A 27 -12.661 6.926 -5.708 1.00 0.00 C ATOM 396 O PRO A 27 -12.737 7.203 -6.905 1.00 0.00 O ATOM 397 CB PRO A 27 -13.258 9.002 -4.430 1.00 0.00 C ATOM 398 CG PRO A 27 -12.937 10.126 -5.353 1.00 0.00 C ATOM 399 CD PRO A 27 -11.438 10.150 -5.470 1.00 0.00 C ATOM 0 HA PRO A 27 -11.892 7.378 -3.815 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.252 8.600 -4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.247 9.328 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.402 9.976 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.313 11.071 -4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.117 10.476 -6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.989 10.833 -4.748 1.00 0.00 H new ATOM 407 N VAL A 28 -12.991 5.734 -5.220 1.00 0.00 N ATOM 408 CA VAL A 28 -13.474 4.662 -6.081 1.00 0.00 C ATOM 409 C VAL A 28 -14.952 4.382 -5.834 1.00 0.00 C ATOM 410 O VAL A 28 -15.599 5.063 -5.038 1.00 0.00 O ATOM 411 CB VAL A 28 -12.673 3.364 -5.864 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.219 3.561 -6.263 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.781 2.907 -4.417 1.00 0.00 C ATOM 0 H VAL A 28 -12.932 5.487 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.338 4.996 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.096 2.586 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.669 2.634 -6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.165 3.838 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.779 4.353 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.209 1.989 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.385 3.681 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.827 2.723 -4.171 1.00 0.00 H new ATOM 423 N ASP A 29 -15.481 3.375 -6.521 1.00 0.00 N ATOM 424 CA ASP A 29 -16.883 3.003 -6.375 1.00 0.00 C ATOM 425 C ASP A 29 -17.015 1.603 -5.786 1.00 0.00 C ATOM 426 O ASP A 29 -17.856 1.360 -4.920 1.00 0.00 O ATOM 427 CB ASP A 29 -17.594 3.070 -7.728 1.00 0.00 C ATOM 428 CG ASP A 29 -16.705 2.621 -8.871 1.00 0.00 C ATOM 429 OD1 ASP A 29 -15.892 3.441 -9.348 1.00 0.00 O ATOM 430 OD2 ASP A 29 -16.823 1.450 -9.291 1.00 0.00 O ATOM 0 H ASP A 29 -14.960 2.802 -7.184 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.352 3.711 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.486 2.444 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.927 4.092 -7.910 1.00 0.00 H new ATOM 435 N ARG A 30 -16.180 0.685 -6.261 1.00 0.00 N ATOM 436 CA ARG A 30 -16.205 -0.692 -5.783 1.00 0.00 C ATOM 437 C ARG A 30 -15.040 -0.960 -4.834 1.00 0.00 C ATOM 438 O ARG A 30 -13.931 -0.457 -5.016 1.00 0.00 O ATOM 439 CB ARG A 30 -16.150 -1.666 -6.962 1.00 0.00 C ATOM 440 CG ARG A 30 -17.462 -1.779 -7.720 1.00 0.00 C ATOM 441 CD ARG A 30 -17.500 -3.029 -8.585 1.00 0.00 C ATOM 442 NE ARG A 30 -18.862 -3.383 -8.975 1.00 0.00 N ATOM 443 CZ ARG A 30 -19.773 -3.847 -8.127 1.00 0.00 C ATOM 444 NH1 ARG A 30 -19.468 -4.011 -6.847 1.00 0.00 N ATOM 445 NH2 ARG A 30 -20.991 -4.147 -8.558 1.00 0.00 N ATOM 0 H ARG A 30 -15.477 0.870 -6.977 1.00 0.00 H new ATOM 0 HA ARG A 30 -17.137 -0.843 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.369 -1.345 -7.651 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.866 -2.652 -6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.291 -1.799 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.599 -0.897 -8.346 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.897 -2.870 -9.479 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.051 -3.860 -8.041 1.00 0.00 H new ATOM 0 HE ARG A 30 -19.129 -3.268 -9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.532 -3.781 -6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -20.169 -4.367 -6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -21.229 -4.022 -9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -21.689 -4.503 -7.906 1.00 0.00 H new ATOM 459 N PRO A 31 -15.296 -1.769 -3.796 1.00 0.00 N ATOM 460 CA PRO A 31 -14.282 -2.122 -2.797 1.00 0.00 C ATOM 461 C PRO A 31 -13.200 -3.032 -3.367 1.00 0.00 C ATOM 462 O PRO A 31 -12.083 -3.084 -2.852 1.00 0.00 O ATOM 463 CB PRO A 31 -15.085 -2.854 -1.720 1.00 0.00 C ATOM 464 CG PRO A 31 -16.272 -3.398 -2.436 1.00 0.00 C ATOM 465 CD PRO A 31 -16.595 -2.404 -3.516 1.00 0.00 C ATOM 0 HA PRO A 31 -13.750 -1.245 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.499 -3.651 -1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.382 -2.177 -0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.056 -4.379 -2.860 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.115 -3.523 -1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.003 -2.891 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.335 -1.676 -3.184 1.00 0.00 H new ATOM 473 N VAL A 32 -13.538 -3.750 -4.434 1.00 0.00 N ATOM 474 CA VAL A 32 -12.594 -4.658 -5.075 1.00 0.00 C ATOM 475 C VAL A 32 -12.654 -4.531 -6.593 1.00 0.00 C ATOM 476 O VAL A 32 -13.551 -3.889 -7.138 1.00 0.00 O ATOM 477 CB VAL A 32 -12.869 -6.122 -4.682 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.683 -6.317 -3.185 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.268 -6.535 -5.112 1.00 0.00 C ATOM 0 H VAL A 32 -14.458 -3.720 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.599 -4.377 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.152 -6.760 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.882 -7.357 -2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.659 -6.064 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.375 -5.670 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.445 -7.572 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -15.003 -5.894 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.360 -6.436 -6.194 1.00 0.00 H new ATOM 489 N GLY A 33 -11.691 -5.149 -7.271 1.00 0.00 N ATOM 490 CA GLY A 33 -11.653 -5.093 -8.721 1.00 0.00 C ATOM 491 C GLY A 33 -10.528 -4.219 -9.238 1.00 0.00 C ATOM 492 O GLY A 33 -10.610 -2.992 -9.181 1.00 0.00 O ATOM 0 H GLY A 33 -10.938 -5.687 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.537 -6.102 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.605 -4.712 -9.092 1.00 0.00 H new ATOM 496 N MET A 34 -9.473 -4.851 -9.742 1.00 0.00 N ATOM 497 CA MET A 34 -8.326 -4.122 -10.271 1.00 0.00 C ATOM 498 C MET A 34 -8.770 -3.069 -11.282 1.00 0.00 C ATOM 499 O MET A 34 -8.260 -1.949 -11.291 1.00 0.00 O ATOM 500 CB MET A 34 -7.337 -5.089 -10.924 1.00 0.00 C ATOM 501 CG MET A 34 -6.353 -5.706 -9.944 1.00 0.00 C ATOM 502 SD MET A 34 -4.887 -4.687 -9.697 1.00 0.00 S ATOM 503 CE MET A 34 -5.254 -3.945 -8.108 1.00 0.00 C ATOM 0 H MET A 34 -9.389 -5.866 -9.795 1.00 0.00 H new ATOM 0 HA MET A 34 -7.833 -3.617 -9.440 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.893 -5.886 -11.418 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.782 -4.560 -11.699 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.849 -5.860 -8.986 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.051 -6.688 -10.308 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.400 -3.355 -7.776 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.127 -3.299 -8.201 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.459 -4.729 -7.379 1.00 0.00 H new ATOM 513 N ASP A 35 -9.722 -3.437 -12.132 1.00 0.00 N ATOM 514 CA ASP A 35 -10.235 -2.524 -13.147 1.00 0.00 C ATOM 515 C ASP A 35 -10.628 -1.187 -12.527 1.00 0.00 C ATOM 516 O ASP A 35 -10.567 -0.145 -13.180 1.00 0.00 O ATOM 517 CB ASP A 35 -11.438 -3.144 -13.860 1.00 0.00 C ATOM 518 CG ASP A 35 -11.669 -2.545 -15.233 1.00 0.00 C ATOM 519 OD1 ASP A 35 -10.807 -2.734 -16.116 1.00 0.00 O ATOM 520 OD2 ASP A 35 -12.713 -1.885 -15.426 1.00 0.00 O ATOM 0 H ASP A 35 -10.154 -4.361 -12.139 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.443 -2.347 -13.875 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.285 -4.219 -13.957 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.330 -3.003 -13.250 1.00 0.00 H new ATOM 525 N THR A 36 -11.034 -1.224 -11.261 1.00 0.00 N ATOM 526 CA THR A 36 -11.440 -0.017 -10.553 1.00 0.00 C ATOM 527 C THR A 36 -10.247 0.652 -9.879 1.00 0.00 C ATOM 528 O THR A 36 -10.075 1.869 -9.965 1.00 0.00 O ATOM 529 CB THR A 36 -12.511 -0.323 -9.490 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.589 -1.059 -10.078 1.00 0.00 O ATOM 531 CG2 THR A 36 -13.045 0.962 -8.874 1.00 0.00 C ATOM 0 H THR A 36 -11.090 -2.078 -10.705 1.00 0.00 H new ATOM 0 HA THR A 36 -11.860 0.660 -11.297 1.00 0.00 H new ATOM 0 HB THR A 36 -12.050 -0.920 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.422 -0.852 -9.606 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.800 0.720 -8.126 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.227 1.506 -8.401 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.491 1.581 -9.653 1.00 0.00 H new ATOM 539 N LEU A 37 -9.426 -0.149 -9.210 1.00 0.00 N ATOM 540 CA LEU A 37 -8.247 0.366 -8.522 1.00 0.00 C ATOM 541 C LEU A 37 -7.332 1.108 -9.490 1.00 0.00 C ATOM 542 O LEU A 37 -6.950 2.252 -9.245 1.00 0.00 O ATOM 543 CB LEU A 37 -7.482 -0.777 -7.854 1.00 0.00 C ATOM 544 CG LEU A 37 -6.383 -0.367 -6.874 1.00 0.00 C ATOM 545 CD1 LEU A 37 -6.194 -1.434 -5.806 1.00 0.00 C ATOM 546 CD2 LEU A 37 -5.077 -0.113 -7.613 1.00 0.00 C ATOM 0 H LEU A 37 -9.555 -1.158 -9.129 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.581 1.067 -7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.198 -1.405 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.034 -1.392 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.687 0.558 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.408 -1.124 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.126 -1.568 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.913 -2.375 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.306 0.178 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.769 -1.022 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.220 0.687 -8.339 1.00 0.00 H new ATOM 558 N ASN A 38 -6.986 0.450 -10.592 1.00 0.00 N ATOM 559 CA ASN A 38 -6.116 1.048 -11.598 1.00 0.00 C ATOM 560 C ASN A 38 -6.724 2.335 -12.147 1.00 0.00 C ATOM 561 O ASN A 38 -6.039 3.348 -12.286 1.00 0.00 O ATOM 562 CB ASN A 38 -5.869 0.061 -12.740 1.00 0.00 C ATOM 563 CG ASN A 38 -4.661 -0.822 -12.490 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.638 -0.698 -13.164 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.775 -1.719 -11.518 1.00 0.00 N ATOM 0 H ASN A 38 -7.295 -0.497 -10.811 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.165 1.290 -11.123 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.752 -0.565 -12.873 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.726 0.613 -13.669 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.995 -2.341 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.642 -1.786 -10.985 1.00 0.00 H new ATOM 572 N SER A 39 -8.016 2.288 -12.456 1.00 0.00 N ATOM 573 CA SER A 39 -8.717 3.449 -12.992 1.00 0.00 C ATOM 574 C SER A 39 -8.501 4.671 -12.105 1.00 0.00 C ATOM 575 O SER A 39 -8.682 5.808 -12.541 1.00 0.00 O ATOM 576 CB SER A 39 -10.213 3.155 -13.120 1.00 0.00 C ATOM 577 OG SER A 39 -10.895 4.235 -13.734 1.00 0.00 O ATOM 0 H SER A 39 -8.599 1.458 -12.344 1.00 0.00 H new ATOM 0 HA SER A 39 -8.311 3.663 -13.981 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.360 2.248 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.636 2.968 -12.133 1.00 0.00 H new ATOM 0 HG SER A 39 -11.849 4.021 -13.805 1.00 0.00 H new ATOM 583 N ALA A 40 -8.113 4.428 -10.858 1.00 0.00 N ATOM 584 CA ALA A 40 -7.871 5.508 -9.909 1.00 0.00 C ATOM 585 C ALA A 40 -6.435 6.012 -10.007 1.00 0.00 C ATOM 586 O ALA A 40 -6.171 7.201 -9.821 1.00 0.00 O ATOM 587 CB ALA A 40 -8.173 5.043 -8.492 1.00 0.00 C ATOM 0 H ALA A 40 -7.959 3.493 -10.481 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.537 6.334 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.988 5.859 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.217 4.737 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.531 4.199 -8.241 1.00 0.00 H new ATOM 593 N ILE A 41 -5.511 5.102 -10.298 1.00 0.00 N ATOM 594 CA ILE A 41 -4.103 5.456 -10.420 1.00 0.00 C ATOM 595 C ILE A 41 -3.882 6.447 -11.558 1.00 0.00 C ATOM 596 O ILE A 41 -3.340 7.533 -11.351 1.00 0.00 O ATOM 597 CB ILE A 41 -3.229 4.212 -10.661 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.486 3.162 -9.578 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.757 4.596 -10.695 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.925 1.798 -9.912 1.00 0.00 C ATOM 0 H ILE A 41 -5.713 4.114 -10.454 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.811 5.918 -9.477 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.495 3.783 -11.627 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.050 3.505 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.560 3.074 -9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.152 3.705 -10.866 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.586 5.311 -11.500 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.477 5.047 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.145 1.105 -9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.380 1.433 -10.833 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.846 1.871 -10.044 1.00 0.00 H new ATOM 612 N GLU A 42 -4.307 6.066 -12.758 1.00 0.00 N ATOM 613 CA GLU A 42 -4.156 6.923 -13.929 1.00 0.00 C ATOM 614 C GLU A 42 -4.723 8.314 -13.661 1.00 0.00 C ATOM 615 O GLU A 42 -4.094 9.323 -13.978 1.00 0.00 O ATOM 616 CB GLU A 42 -4.855 6.299 -15.138 1.00 0.00 C ATOM 617 CG GLU A 42 -3.977 5.337 -15.920 1.00 0.00 C ATOM 618 CD GLU A 42 -4.437 5.160 -17.354 1.00 0.00 C ATOM 619 OE1 GLU A 42 -5.664 5.136 -17.585 1.00 0.00 O ATOM 620 OE2 GLU A 42 -3.570 5.047 -18.245 1.00 0.00 O ATOM 0 H GLU A 42 -4.758 5.171 -12.945 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.092 7.019 -14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.746 5.770 -14.799 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.190 7.094 -15.804 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.950 5.702 -15.914 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.973 4.368 -15.422 1.00 0.00 H new ATOM 627 N ASN A 43 -5.916 8.358 -13.077 1.00 0.00 N ATOM 628 CA ASN A 43 -6.568 9.625 -12.768 1.00 0.00 C ATOM 629 C ASN A 43 -5.580 10.611 -12.153 1.00 0.00 C ATOM 630 O ASN A 43 -5.488 11.763 -12.579 1.00 0.00 O ATOM 631 CB ASN A 43 -7.741 9.399 -11.811 1.00 0.00 C ATOM 632 CG ASN A 43 -9.043 9.141 -12.544 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.701 8.037 -12.210 1.00 0.00 O flip ATOM 634 ND2 ASN A 43 -9.453 9.925 -13.400 1.00 0.00 N flip ATOM 0 H ASN A 43 -6.450 7.532 -12.809 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.943 10.048 -13.700 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.519 8.552 -11.162 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.856 10.272 -11.168 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.915 10.762 -13.625 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.331 9.738 -13.884 1.00 0.00 H new ATOM 641 N LEU A 44 -4.841 10.151 -11.150 1.00 0.00 N ATOM 642 CA LEU A 44 -3.857 10.992 -10.476 1.00 0.00 C ATOM 643 C LEU A 44 -2.605 11.158 -11.331 1.00 0.00 C ATOM 644 O LEU A 44 -2.177 12.277 -11.611 1.00 0.00 O ATOM 645 CB LEU A 44 -3.486 10.389 -9.119 1.00 0.00 C ATOM 646 CG LEU A 44 -4.652 10.089 -8.177 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.281 8.978 -7.206 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.063 11.344 -7.421 1.00 0.00 C ATOM 0 H LEU A 44 -4.904 9.201 -10.785 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.301 11.975 -10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.938 9.463 -9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.804 11.073 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.500 9.754 -8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.123 8.778 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.035 8.074 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.418 9.285 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.894 11.112 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.219 11.708 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.370 12.112 -8.131 1.00 0.00 H new ATOM 660 N MET A 45 -2.024 10.036 -11.744 1.00 0.00 N ATOM 661 CA MET A 45 -0.823 10.058 -12.571 1.00 0.00 C ATOM 662 C MET A 45 -0.922 11.136 -13.646 1.00 0.00 C ATOM 663 O MET A 45 0.034 11.872 -13.892 1.00 0.00 O ATOM 664 CB MET A 45 -0.601 8.691 -13.222 1.00 0.00 C ATOM 665 CG MET A 45 -0.254 7.594 -12.229 1.00 0.00 C ATOM 666 SD MET A 45 0.797 6.316 -12.946 1.00 0.00 S ATOM 667 CE MET A 45 2.038 6.142 -11.667 1.00 0.00 C ATOM 0 H MET A 45 -2.365 9.101 -11.520 1.00 0.00 H new ATOM 0 HA MET A 45 0.026 10.289 -11.928 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.502 8.406 -13.766 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.201 8.773 -13.955 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.251 8.034 -11.369 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.173 7.139 -11.860 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.773 5.397 -11.972 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.535 7.099 -11.510 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.562 5.824 -10.739 1.00 0.00 H new ATOM 677 N THR A 46 -2.085 11.224 -14.284 1.00 0.00 N ATOM 678 CA THR A 46 -2.308 12.211 -15.332 1.00 0.00 C ATOM 679 C THR A 46 -2.449 13.612 -14.748 1.00 0.00 C ATOM 680 O THR A 46 -2.087 14.600 -15.387 1.00 0.00 O ATOM 681 CB THR A 46 -3.568 11.882 -16.155 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.731 11.965 -15.324 1.00 0.00 O ATOM 683 CG2 THR A 46 -3.470 10.490 -16.761 1.00 0.00 C ATOM 0 H THR A 46 -2.887 10.623 -14.093 1.00 0.00 H new ATOM 0 HA THR A 46 -1.437 12.179 -15.986 1.00 0.00 H new ATOM 0 HB THR A 46 -3.647 12.608 -16.964 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.474 11.832 -14.388 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.371 10.280 -17.338 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.600 10.439 -17.416 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.369 9.753 -15.965 1.00 0.00 H new ATOM 691 N SER A 47 -2.975 13.691 -13.530 1.00 0.00 N ATOM 692 CA SER A 47 -3.166 14.972 -12.861 1.00 0.00 C ATOM 693 C SER A 47 -1.824 15.599 -12.496 1.00 0.00 C ATOM 694 O SER A 47 -1.465 16.662 -13.003 1.00 0.00 O ATOM 695 CB SER A 47 -4.017 14.792 -11.602 1.00 0.00 C ATOM 696 OG SER A 47 -4.664 16.002 -11.247 1.00 0.00 O ATOM 0 H SER A 47 -3.277 12.882 -12.986 1.00 0.00 H new ATOM 0 HA SER A 47 -3.685 15.640 -13.549 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.761 14.014 -11.770 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.387 14.457 -10.778 1.00 0.00 H new ATOM 0 HG SER A 47 -5.203 15.861 -10.441 1.00 0.00 H new ATOM 702 N SER A 48 -1.088 14.934 -11.612 1.00 0.00 N ATOM 703 CA SER A 48 0.213 15.427 -11.176 1.00 0.00 C ATOM 704 C SER A 48 1.342 14.681 -11.881 1.00 0.00 C ATOM 705 O SER A 48 1.156 13.564 -12.364 1.00 0.00 O ATOM 706 CB SER A 48 0.356 15.277 -9.660 1.00 0.00 C ATOM 707 OG SER A 48 -0.480 16.194 -8.976 1.00 0.00 O ATOM 0 H SER A 48 -1.370 14.052 -11.184 1.00 0.00 H new ATOM 0 HA SER A 48 0.280 16.483 -11.438 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.101 14.259 -9.366 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.394 15.441 -9.371 1.00 0.00 H new ATOM 0 HG SER A 48 -0.372 16.077 -8.009 1.00 0.00 H new ATOM 713 N SER A 49 2.513 15.307 -11.935 1.00 0.00 N ATOM 714 CA SER A 49 3.672 14.705 -12.584 1.00 0.00 C ATOM 715 C SER A 49 4.543 13.971 -11.568 1.00 0.00 C ATOM 716 O SER A 49 4.449 14.210 -10.364 1.00 0.00 O ATOM 717 CB SER A 49 4.496 15.776 -13.300 1.00 0.00 C ATOM 718 OG SER A 49 3.863 16.190 -14.498 1.00 0.00 O ATOM 0 H SER A 49 2.684 16.231 -11.537 1.00 0.00 H new ATOM 0 HA SER A 49 3.313 13.983 -13.317 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.633 16.634 -12.642 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.488 15.386 -13.525 1.00 0.00 H new ATOM 0 HG SER A 49 4.409 16.876 -14.936 1.00 0.00 H new ATOM 724 N LYS A 50 5.392 13.077 -12.063 1.00 0.00 N ATOM 725 CA LYS A 50 6.282 12.308 -11.202 1.00 0.00 C ATOM 726 C LYS A 50 7.007 13.219 -10.216 1.00 0.00 C ATOM 727 O LYS A 50 7.096 12.916 -9.027 1.00 0.00 O ATOM 728 CB LYS A 50 7.302 11.538 -12.044 1.00 0.00 C ATOM 729 CG LYS A 50 8.393 10.875 -11.223 1.00 0.00 C ATOM 730 CD LYS A 50 8.946 9.643 -11.920 1.00 0.00 C ATOM 731 CE LYS A 50 9.451 8.615 -10.919 1.00 0.00 C ATOM 732 NZ LYS A 50 9.933 7.377 -11.591 1.00 0.00 N ATOM 0 H LYS A 50 5.482 12.867 -13.057 1.00 0.00 H new ATOM 0 HA LYS A 50 5.676 11.599 -10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.781 10.776 -12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.761 12.222 -12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.199 11.587 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.996 10.595 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.170 9.196 -12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.759 9.934 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.260 9.048 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.651 8.362 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.285 6.592 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.966 7.530 -12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.886 7.143 -11.245 1.00 0.00 H new ATOM 746 N GLU A 51 7.522 14.337 -10.719 1.00 0.00 N ATOM 747 CA GLU A 51 8.238 15.292 -9.881 1.00 0.00 C ATOM 748 C GLU A 51 7.278 16.021 -8.945 1.00 0.00 C ATOM 749 O GLU A 51 7.605 16.288 -7.789 1.00 0.00 O ATOM 750 CB GLU A 51 8.987 16.305 -10.750 1.00 0.00 C ATOM 751 CG GLU A 51 10.016 15.672 -11.672 1.00 0.00 C ATOM 752 CD GLU A 51 11.370 15.508 -11.011 1.00 0.00 C ATOM 753 OE1 GLU A 51 11.529 14.566 -10.207 1.00 0.00 O ATOM 754 OE2 GLU A 51 12.272 16.324 -11.298 1.00 0.00 O ATOM 0 H GLU A 51 7.457 14.603 -11.701 1.00 0.00 H new ATOM 0 HA GLU A 51 8.958 14.739 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.266 16.860 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.486 17.027 -10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.655 14.697 -11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.124 16.287 -12.566 1.00 0.00 H new ATOM 761 N ASP A 52 6.093 16.340 -9.453 1.00 0.00 N ATOM 762 CA ASP A 52 5.085 17.037 -8.664 1.00 0.00 C ATOM 763 C ASP A 52 4.805 16.294 -7.361 1.00 0.00 C ATOM 764 O ASP A 52 4.556 16.910 -6.325 1.00 0.00 O ATOM 765 CB ASP A 52 3.792 17.189 -9.467 1.00 0.00 C ATOM 766 CG ASP A 52 2.672 17.804 -8.651 1.00 0.00 C ATOM 767 OD1 ASP A 52 2.349 17.254 -7.577 1.00 0.00 O ATOM 768 OD2 ASP A 52 2.120 18.836 -9.085 1.00 0.00 O ATOM 0 H ASP A 52 5.807 16.127 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 52 5.471 18.027 -8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.983 17.810 -10.343 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.477 16.211 -9.832 1.00 0.00 H new ATOM 773 N TRP A 53 4.846 14.968 -7.423 1.00 0.00 N ATOM 774 CA TRP A 53 4.596 14.140 -6.248 1.00 0.00 C ATOM 775 C TRP A 53 5.637 14.403 -5.165 1.00 0.00 C ATOM 776 O TRP A 53 6.820 14.101 -5.323 1.00 0.00 O ATOM 777 CB TRP A 53 4.602 12.660 -6.631 1.00 0.00 C ATOM 778 CG TRP A 53 3.815 12.364 -7.872 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.786 13.101 -8.385 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.993 11.250 -8.754 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.313 12.512 -9.532 1.00 0.00 N ATOM 782 CE2 TRP A 53 3.037 11.376 -9.781 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.867 10.160 -8.778 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.932 10.452 -10.817 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.762 9.244 -9.807 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.801 9.395 -10.815 1.00 0.00 C ATOM 0 H TRP A 53 5.050 14.443 -8.274 1.00 0.00 H new ATOM 0 HA TRP A 53 3.614 14.401 -5.852 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.632 12.334 -6.776 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.196 12.077 -5.804 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.401 14.013 -7.952 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.546 12.864 -10.106 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.612 10.036 -8.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.191 10.565 -11.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.432 8.397 -9.835 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.745 8.662 -11.607 1.00 0.00 H new ATOM 797 N PRO A 54 5.190 14.977 -4.039 1.00 0.00 N ATOM 798 CA PRO A 54 6.067 15.292 -2.908 1.00 0.00 C ATOM 799 C PRO A 54 6.559 14.039 -2.190 1.00 0.00 C ATOM 800 O PRO A 54 5.803 13.088 -1.993 1.00 0.00 O ATOM 801 CB PRO A 54 5.172 16.121 -1.984 1.00 0.00 C ATOM 802 CG PRO A 54 3.785 15.691 -2.315 1.00 0.00 C ATOM 803 CD PRO A 54 3.792 15.364 -3.783 1.00 0.00 C ATOM 0 HA PRO A 54 6.971 15.811 -3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.405 15.935 -0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.307 17.189 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.494 14.823 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.068 16.482 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.101 14.554 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.495 16.221 -4.387 1.00 0.00 H new ATOM 811 N SER A 55 7.830 14.046 -1.801 1.00 0.00 N ATOM 812 CA SER A 55 8.423 12.909 -1.108 1.00 0.00 C ATOM 813 C SER A 55 7.914 12.821 0.327 1.00 0.00 C ATOM 814 O SER A 55 8.031 13.773 1.099 1.00 0.00 O ATOM 815 CB SER A 55 9.949 13.020 -1.113 1.00 0.00 C ATOM 816 OG SER A 55 10.480 12.698 -2.387 1.00 0.00 O ATOM 0 H SER A 55 8.469 14.827 -1.954 1.00 0.00 H new ATOM 0 HA SER A 55 8.130 12.001 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.244 14.033 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.368 12.351 -0.361 1.00 0.00 H new ATOM 0 HG SER A 55 11.432 12.930 -2.413 1.00 0.00 H new ATOM 822 N VAL A 56 7.346 11.671 0.678 1.00 0.00 N ATOM 823 CA VAL A 56 6.819 11.457 2.021 1.00 0.00 C ATOM 824 C VAL A 56 7.275 10.116 2.583 1.00 0.00 C ATOM 825 O VAL A 56 7.800 9.273 1.857 1.00 0.00 O ATOM 826 CB VAL A 56 5.280 11.510 2.034 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.786 12.842 1.490 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.700 10.352 1.237 1.00 0.00 C ATOM 0 H VAL A 56 7.239 10.874 0.051 1.00 0.00 H new ATOM 0 HA VAL A 56 7.209 12.261 2.646 1.00 0.00 H new ATOM 0 HB VAL A 56 4.940 11.418 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.696 12.860 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.172 13.653 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.135 12.968 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.612 10.406 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.047 10.410 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.025 9.409 1.676 1.00 0.00 H new ATOM 838 N ASN A 57 7.070 9.924 3.882 1.00 0.00 N ATOM 839 CA ASN A 57 7.461 8.685 4.543 1.00 0.00 C ATOM 840 C ASN A 57 6.243 7.808 4.819 1.00 0.00 C ATOM 841 O ASN A 57 5.318 8.217 5.521 1.00 0.00 O ATOM 842 CB ASN A 57 8.192 8.988 5.853 1.00 0.00 C ATOM 843 CG ASN A 57 9.250 10.062 5.688 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.844 10.205 4.619 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.491 10.822 6.750 1.00 0.00 N ATOM 0 H ASN A 57 6.635 10.611 4.498 1.00 0.00 H new ATOM 0 HA ASN A 57 8.133 8.145 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.469 9.306 6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.659 8.076 6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.193 11.560 6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.974 10.667 7.616 1.00 0.00 H new ATOM 852 N MET A 58 6.251 6.601 4.263 1.00 0.00 N ATOM 853 CA MET A 58 5.147 5.666 4.451 1.00 0.00 C ATOM 854 C MET A 58 5.382 4.787 5.675 1.00 0.00 C ATOM 855 O MET A 58 6.108 3.796 5.609 1.00 0.00 O ATOM 856 CB MET A 58 4.973 4.793 3.207 1.00 0.00 C ATOM 857 CG MET A 58 3.927 3.703 3.371 1.00 0.00 C ATOM 858 SD MET A 58 3.517 2.893 1.813 1.00 0.00 S ATOM 859 CE MET A 58 2.677 4.220 0.953 1.00 0.00 C ATOM 0 H MET A 58 7.009 6.247 3.679 1.00 0.00 H new ATOM 0 HA MET A 58 4.237 6.244 4.610 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.696 5.427 2.364 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.930 4.333 2.959 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.292 2.958 4.078 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.023 4.134 3.801 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.874 3.807 0.343 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.260 4.917 1.679 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.386 4.744 0.312 1.00 0.00 H new ATOM 869 N ASN A 59 4.763 5.158 6.791 1.00 0.00 N ATOM 870 CA ASN A 59 4.906 4.403 8.031 1.00 0.00 C ATOM 871 C ASN A 59 3.922 3.237 8.075 1.00 0.00 C ATOM 872 O ASN A 59 2.714 3.435 8.205 1.00 0.00 O ATOM 873 CB ASN A 59 4.685 5.317 9.238 1.00 0.00 C ATOM 874 CG ASN A 59 5.684 6.456 9.291 1.00 0.00 C ATOM 875 OD1 ASN A 59 5.515 7.433 8.407 1.00 0.00 O flip ATOM 876 ND2 ASN A 59 6.596 6.459 10.118 1.00 0.00 N flip ATOM 0 H ASN A 59 4.158 5.976 6.862 1.00 0.00 H new ATOM 0 HA ASN A 59 5.919 4.002 8.068 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.675 5.725 9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.759 4.730 10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.688 5.687 10.779 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.260 7.233 10.143 1.00 0.00 H new ATOM 883 N VAL A 60 4.449 2.021 7.965 1.00 0.00 N ATOM 884 CA VAL A 60 3.618 0.824 7.994 1.00 0.00 C ATOM 885 C VAL A 60 3.833 0.037 9.282 1.00 0.00 C ATOM 886 O VAL A 60 4.792 -0.724 9.404 1.00 0.00 O ATOM 887 CB VAL A 60 3.912 -0.092 6.791 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.073 -1.358 6.866 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.661 0.647 5.485 1.00 0.00 C ATOM 0 H VAL A 60 5.447 1.840 7.855 1.00 0.00 H new ATOM 0 HA VAL A 60 2.581 1.157 7.944 1.00 0.00 H new ATOM 0 HB VAL A 60 4.963 -0.379 6.824 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.294 -1.993 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.307 -1.896 7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.015 -1.095 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.874 -0.015 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.619 0.965 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.310 1.521 5.431 1.00 0.00 H new ATOM 899 N ALA A 61 2.932 0.225 10.241 1.00 0.00 N ATOM 900 CA ALA A 61 3.021 -0.469 11.519 1.00 0.00 C ATOM 901 C ALA A 61 2.564 -1.918 11.390 1.00 0.00 C ATOM 902 O ALA A 61 2.237 -2.381 10.297 1.00 0.00 O ATOM 903 CB ALA A 61 2.195 0.255 12.572 1.00 0.00 C ATOM 0 H ALA A 61 2.132 0.852 10.156 1.00 0.00 H new ATOM 0 HA ALA A 61 4.065 -0.471 11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.271 -0.275 13.522 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.570 1.272 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.152 0.288 12.257 1.00 0.00 H new ATOM 909 N ASP A 62 2.545 -2.630 12.512 1.00 0.00 N ATOM 910 CA ASP A 62 2.127 -4.027 12.524 1.00 0.00 C ATOM 911 C ASP A 62 0.795 -4.202 11.802 1.00 0.00 C ATOM 912 O ASP A 62 0.708 -4.920 10.806 1.00 0.00 O ATOM 913 CB ASP A 62 2.012 -4.534 13.963 1.00 0.00 C ATOM 914 CG ASP A 62 2.128 -6.043 14.055 1.00 0.00 C ATOM 915 OD1 ASP A 62 3.148 -6.590 13.586 1.00 0.00 O ATOM 916 OD2 ASP A 62 1.199 -6.677 14.597 1.00 0.00 O ATOM 0 H ASP A 62 2.814 -2.263 13.425 1.00 0.00 H new ATOM 0 HA ASP A 62 2.883 -4.612 12.000 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.792 -4.075 14.571 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.056 -4.220 14.381 1.00 0.00 H new ATOM 921 N ALA A 63 -0.240 -3.542 12.311 1.00 0.00 N ATOM 922 CA ALA A 63 -1.567 -3.625 11.714 1.00 0.00 C ATOM 923 C ALA A 63 -2.123 -2.236 11.420 1.00 0.00 C ATOM 924 O ALA A 63 -3.320 -1.989 11.573 1.00 0.00 O ATOM 925 CB ALA A 63 -2.511 -4.390 12.630 1.00 0.00 C ATOM 0 H ALA A 63 -0.185 -2.944 13.135 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.481 -4.162 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.498 -4.444 12.172 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.128 -5.398 12.787 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.584 -3.876 13.589 1.00 0.00 H new ATOM 931 N THR A 64 -1.247 -1.330 10.996 1.00 0.00 N ATOM 932 CA THR A 64 -1.651 0.035 10.681 1.00 0.00 C ATOM 933 C THR A 64 -0.687 0.678 9.691 1.00 0.00 C ATOM 934 O THR A 64 0.499 0.350 9.661 1.00 0.00 O ATOM 935 CB THR A 64 -1.723 0.906 11.950 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.672 0.354 12.870 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.115 2.334 11.604 1.00 0.00 C ATOM 0 H THR A 64 -0.253 -1.517 10.863 1.00 0.00 H new ATOM 0 HA THR A 64 -2.643 -0.024 10.233 1.00 0.00 H new ATOM 0 HB THR A 64 -0.736 0.919 12.412 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.711 0.912 13.674 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.159 2.930 12.515 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.375 2.761 10.927 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.092 2.336 11.121 1.00 0.00 H new ATOM 945 N VAL A 65 -1.204 1.597 8.882 1.00 0.00 N ATOM 946 CA VAL A 65 -0.389 2.289 7.890 1.00 0.00 C ATOM 947 C VAL A 65 -0.652 3.791 7.913 1.00 0.00 C ATOM 948 O VAL A 65 -1.669 4.263 7.403 1.00 0.00 O ATOM 949 CB VAL A 65 -0.657 1.754 6.471 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.169 2.518 5.448 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.362 0.263 6.400 1.00 0.00 C ATOM 0 H VAL A 65 -2.184 1.880 8.894 1.00 0.00 H new ATOM 0 HA VAL A 65 0.653 2.101 8.150 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.711 1.905 6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.033 2.126 4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.095 3.575 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.229 2.401 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.557 -0.099 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.683 0.086 6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.001 -0.268 7.105 1.00 0.00 H new ATOM 961 N THR A 66 0.272 4.539 8.508 1.00 0.00 N ATOM 962 CA THR A 66 0.141 5.987 8.599 1.00 0.00 C ATOM 963 C THR A 66 1.084 6.687 7.627 1.00 0.00 C ATOM 964 O THR A 66 2.206 6.235 7.401 1.00 0.00 O ATOM 965 CB THR A 66 0.428 6.490 10.026 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.287 5.695 10.979 1.00 0.00 O ATOM 967 CG2 THR A 66 0.031 7.950 10.176 1.00 0.00 C ATOM 0 H THR A 66 1.120 4.165 8.934 1.00 0.00 H new ATOM 0 HA THR A 66 -0.890 6.227 8.338 1.00 0.00 H new ATOM 0 HB THR A 66 1.499 6.401 10.210 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.098 6.020 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.243 8.282 11.192 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.599 8.556 9.470 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.034 8.060 9.973 1.00 0.00 H new ATOM 975 N VAL A 67 0.621 7.793 7.053 1.00 0.00 N ATOM 976 CA VAL A 67 1.424 8.557 6.106 1.00 0.00 C ATOM 977 C VAL A 67 1.898 9.869 6.720 1.00 0.00 C ATOM 978 O VAL A 67 1.090 10.721 7.090 1.00 0.00 O ATOM 979 CB VAL A 67 0.636 8.861 4.818 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.403 9.837 3.940 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.334 7.575 4.063 1.00 0.00 C ATOM 0 H VAL A 67 -0.306 8.180 7.228 1.00 0.00 H new ATOM 0 HA VAL A 67 2.289 7.942 5.857 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.311 9.325 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.830 10.040 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.563 10.768 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.366 9.404 3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.223 7.808 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.269 7.081 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.260 6.914 4.694 1.00 0.00 H new ATOM 991 N ILE A 68 3.214 10.026 6.825 1.00 0.00 N ATOM 992 CA ILE A 68 3.796 11.236 7.393 1.00 0.00 C ATOM 993 C ILE A 68 4.545 12.035 6.332 1.00 0.00 C ATOM 994 O ILE A 68 5.120 11.468 5.403 1.00 0.00 O ATOM 995 CB ILE A 68 4.759 10.908 8.549 1.00 0.00 C ATOM 996 CG1 ILE A 68 4.013 10.193 9.676 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.418 12.178 9.065 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.927 9.595 10.723 1.00 0.00 C ATOM 0 H ILE A 68 3.897 9.330 6.524 1.00 0.00 H new ATOM 0 HA ILE A 68 2.970 11.834 7.778 1.00 0.00 H new ATOM 0 HB ILE A 68 5.538 10.243 8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.336 10.899 10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.397 9.402 9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.096 11.930 9.882 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.979 12.650 8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.652 12.865 9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.329 9.104 11.491 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.587 8.865 10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.524 10.385 11.178 1.00 0.00 H new ATOM 1010 N SER A 69 4.536 13.356 6.479 1.00 0.00 N ATOM 1011 CA SER A 69 5.213 14.235 5.533 1.00 0.00 C ATOM 1012 C SER A 69 6.705 14.319 5.841 1.00 0.00 C ATOM 1013 O SER A 69 7.102 14.756 6.921 1.00 0.00 O ATOM 1014 CB SER A 69 4.594 15.633 5.570 1.00 0.00 C ATOM 1015 OG SER A 69 5.153 16.465 4.568 1.00 0.00 O ATOM 0 H SER A 69 4.067 13.841 7.244 1.00 0.00 H new ATOM 0 HA SER A 69 5.089 13.817 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.516 15.561 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.756 16.080 6.551 1.00 0.00 H new ATOM 0 HG SER A 69 4.740 17.352 4.612 1.00 0.00 H new ATOM 1021 N GLU A 70 7.526 13.896 4.885 1.00 0.00 N ATOM 1022 CA GLU A 70 8.974 13.923 5.054 1.00 0.00 C ATOM 1023 C GLU A 70 9.412 15.184 5.793 1.00 0.00 C ATOM 1024 O GLU A 70 10.352 15.157 6.588 1.00 0.00 O ATOM 1025 CB GLU A 70 9.671 13.847 3.694 1.00 0.00 C ATOM 1026 CG GLU A 70 11.146 13.493 3.785 1.00 0.00 C ATOM 1027 CD GLU A 70 11.954 14.062 2.635 1.00 0.00 C ATOM 1028 OE1 GLU A 70 11.752 15.246 2.296 1.00 0.00 O ATOM 1029 OE2 GLU A 70 12.788 13.321 2.073 1.00 0.00 O ATOM 0 H GLU A 70 7.213 13.531 3.986 1.00 0.00 H new ATOM 0 HA GLU A 70 9.260 13.056 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.165 13.104 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.567 14.807 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.548 13.867 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.255 12.409 3.800 1.00 0.00 H new ATOM 1036 N LYS A 71 8.725 16.289 5.525 1.00 0.00 N ATOM 1037 CA LYS A 71 9.040 17.561 6.163 1.00 0.00 C ATOM 1038 C LYS A 71 8.660 17.538 7.640 1.00 0.00 C ATOM 1039 O LYS A 71 9.522 17.611 8.514 1.00 0.00 O ATOM 1040 CB LYS A 71 8.311 18.705 5.455 1.00 0.00 C ATOM 1041 CG LYS A 71 8.763 18.919 4.020 1.00 0.00 C ATOM 1042 CD LYS A 71 10.140 19.558 3.959 1.00 0.00 C ATOM 1043 CE LYS A 71 10.080 21.043 4.280 1.00 0.00 C ATOM 1044 NZ LYS A 71 11.436 21.617 4.507 1.00 0.00 N ATOM 0 H LYS A 71 7.945 16.329 4.869 1.00 0.00 H new ATOM 0 HA LYS A 71 10.115 17.721 6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.240 18.502 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.466 19.626 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.781 17.963 3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.043 19.553 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.805 19.059 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.564 19.416 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.594 21.572 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.467 21.198 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.352 22.631 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.890 21.129 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.014 21.492 3.651 1.00 0.00 H new ATOM 1058 N ASN A 72 7.362 17.435 7.910 1.00 0.00 N ATOM 1059 CA ASN A 72 6.868 17.402 9.282 1.00 0.00 C ATOM 1060 C ASN A 72 6.589 15.969 9.725 1.00 0.00 C ATOM 1061 O ASN A 72 5.956 15.198 9.004 1.00 0.00 O ATOM 1062 CB ASN A 72 5.596 18.243 9.408 1.00 0.00 C ATOM 1063 CG ASN A 72 5.042 18.246 10.820 1.00 0.00 C ATOM 1064 OD1 ASN A 72 5.645 17.686 11.736 1.00 0.00 O ATOM 1065 ND2 ASN A 72 3.888 18.877 11.001 1.00 0.00 N ATOM 0 H ASN A 72 6.635 17.373 7.198 1.00 0.00 H new ATOM 0 HA ASN A 72 7.638 17.821 9.930 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.809 19.267 9.102 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.839 17.857 8.725 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.466 18.912 11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.424 19.327 10.212 1.00 0.00 H new ATOM 1072 N GLU A 73 7.066 15.620 10.915 1.00 0.00 N ATOM 1073 CA GLU A 73 6.868 14.279 11.454 1.00 0.00 C ATOM 1074 C GLU A 73 5.464 14.127 12.033 1.00 0.00 C ATOM 1075 O GLU A 73 4.832 13.082 11.887 1.00 0.00 O ATOM 1076 CB GLU A 73 7.912 13.979 12.532 1.00 0.00 C ATOM 1077 CG GLU A 73 7.661 14.709 13.841 1.00 0.00 C ATOM 1078 CD GLU A 73 7.817 16.211 13.711 1.00 0.00 C ATOM 1079 OE1 GLU A 73 8.968 16.682 13.601 1.00 0.00 O ATOM 1080 OE2 GLU A 73 6.786 16.917 13.718 1.00 0.00 O ATOM 0 H GLU A 73 7.592 16.246 11.524 1.00 0.00 H new ATOM 0 HA GLU A 73 6.985 13.566 10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.929 12.906 12.721 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.898 14.252 12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.655 14.481 14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.354 14.340 14.597 1.00 0.00 H new ATOM 1087 N GLU A 74 4.985 15.178 12.690 1.00 0.00 N ATOM 1088 CA GLU A 74 3.657 15.161 13.293 1.00 0.00 C ATOM 1089 C GLU A 74 2.578 15.390 12.238 1.00 0.00 C ATOM 1090 O GLU A 74 1.387 15.403 12.547 1.00 0.00 O ATOM 1091 CB GLU A 74 3.554 16.229 14.384 1.00 0.00 C ATOM 1092 CG GLU A 74 3.350 17.634 13.843 1.00 0.00 C ATOM 1093 CD GLU A 74 2.874 18.605 14.906 1.00 0.00 C ATOM 1094 OE1 GLU A 74 3.153 18.361 16.099 1.00 0.00 O ATOM 1095 OE2 GLU A 74 2.223 19.608 14.546 1.00 0.00 O ATOM 0 H GLU A 74 5.496 16.051 12.818 1.00 0.00 H new ATOM 0 HA GLU A 74 3.501 14.179 13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.725 15.980 15.047 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.462 16.209 14.987 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.287 17.996 13.419 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.623 17.605 13.031 1.00 0.00 H new ATOM 1102 N GLU A 75 3.006 15.571 10.992 1.00 0.00 N ATOM 1103 CA GLU A 75 2.076 15.801 9.892 1.00 0.00 C ATOM 1104 C GLU A 75 1.567 14.480 9.324 1.00 0.00 C ATOM 1105 O GLU A 75 2.300 13.760 8.646 1.00 0.00 O ATOM 1106 CB GLU A 75 2.751 16.618 8.788 1.00 0.00 C ATOM 1107 CG GLU A 75 1.958 16.660 7.492 1.00 0.00 C ATOM 1108 CD GLU A 75 2.277 17.883 6.653 1.00 0.00 C ATOM 1109 OE1 GLU A 75 3.444 18.327 6.670 1.00 0.00 O ATOM 1110 OE2 GLU A 75 1.358 18.395 5.980 1.00 0.00 O ATOM 0 H GLU A 75 3.989 15.563 10.720 1.00 0.00 H new ATOM 0 HA GLU A 75 1.225 16.361 10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.905 17.637 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.737 16.198 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.168 15.761 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.893 16.649 7.722 1.00 0.00 H new ATOM 1117 N VAL A 76 0.307 14.167 9.608 1.00 0.00 N ATOM 1118 CA VAL A 76 -0.301 12.933 9.126 1.00 0.00 C ATOM 1119 C VAL A 76 -1.153 13.187 7.887 1.00 0.00 C ATOM 1120 O VAL A 76 -2.316 13.577 7.989 1.00 0.00 O ATOM 1121 CB VAL A 76 -1.176 12.277 10.211 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.809 10.998 9.686 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -0.356 12.001 11.462 1.00 0.00 C ATOM 0 H VAL A 76 -0.313 14.751 10.170 1.00 0.00 H new ATOM 0 HA VAL A 76 0.515 12.257 8.870 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.976 12.968 10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.423 10.549 10.467 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.432 11.228 8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.026 10.298 9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.990 11.538 12.218 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.467 11.329 11.217 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.044 12.938 11.849 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.565 12.963 6.717 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.270 13.167 5.456 1.00 0.00 C ATOM 1135 C LEU A 77 -2.465 12.225 5.341 1.00 0.00 C ATOM 1136 O LEU A 77 -3.551 12.631 4.927 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.320 12.949 4.277 1.00 0.00 C ATOM 1138 CG LEU A 77 0.946 13.807 4.268 1.00 0.00 C ATOM 1139 CD1 LEU A 77 1.872 13.380 3.141 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.591 15.281 4.140 1.00 0.00 C ATOM 0 H LEU A 77 0.397 12.640 6.615 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.636 14.193 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.024 11.900 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.869 13.137 3.354 1.00 0.00 H new ATOM 0 HG LEU A 77 1.467 13.661 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.767 14.002 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.154 12.336 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.360 13.496 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.504 15.876 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.046 15.445 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.032 15.580 4.983 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.257 10.966 5.713 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.318 9.967 5.654 1.00 0.00 C ATOM 1154 C VAL A 78 -3.103 8.877 6.698 1.00 0.00 C ATOM 1155 O VAL A 78 -2.017 8.309 6.802 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.402 9.318 4.260 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.459 8.225 4.243 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.693 10.370 3.200 1.00 0.00 C ATOM 0 H VAL A 78 -1.364 10.614 6.058 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.254 10.486 5.861 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.439 8.862 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.504 7.778 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.202 7.459 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.430 8.654 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.749 9.894 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.643 10.857 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.896 11.114 3.197 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.147 8.590 7.470 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.072 7.567 8.506 1.00 0.00 C ATOM 1170 C GLU A 79 -4.881 6.334 8.113 1.00 0.00 C ATOM 1171 O GLU A 79 -6.093 6.281 8.324 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.582 8.122 9.838 1.00 0.00 C ATOM 1173 CG GLU A 79 -4.279 7.225 11.027 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.435 7.942 12.354 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -5.209 8.919 12.413 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.781 7.525 13.333 1.00 0.00 O ATOM 0 H GLU A 79 -5.054 9.051 7.397 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.028 7.274 8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.135 9.101 10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.660 8.271 9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.944 6.362 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.261 6.846 10.941 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.201 5.347 7.541 1.00 0.00 N ATOM 1184 CA CYS A 80 -4.855 4.114 7.117 1.00 0.00 C ATOM 1185 C CYS A 80 -4.602 2.992 8.118 1.00 0.00 C ATOM 1186 O CYS A 80 -3.550 2.941 8.756 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.359 3.700 5.731 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.194 2.247 5.052 1.00 0.00 S ATOM 0 H CYS A 80 -3.198 5.376 7.360 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.928 4.298 7.070 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.492 4.536 5.045 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.289 3.499 5.785 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.159 2.294 3.753 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.573 2.094 8.252 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.457 0.974 9.178 1.00 0.00 C ATOM 1196 C ARG A 81 -5.821 -0.339 8.491 1.00 0.00 C ATOM 1197 O ARG A 81 -6.940 -0.509 8.006 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.359 1.194 10.393 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.678 1.938 11.531 1.00 0.00 C ATOM 1200 CD ARG A 81 -5.695 3.441 11.302 1.00 0.00 C ATOM 1201 NE ARG A 81 -5.439 4.185 12.532 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.291 4.237 13.550 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -7.448 3.593 13.485 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -5.986 4.936 14.637 1.00 0.00 N ATOM 0 H ARG A 81 -6.449 2.121 7.731 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.420 0.915 9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.242 1.752 10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.705 0.227 10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.180 1.706 12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.648 1.595 11.627 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.944 3.703 10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.663 3.735 10.895 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.558 4.692 12.614 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.686 3.055 12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.100 3.635 14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.097 5.433 14.691 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.641 4.976 15.418 1.00 0.00 H new ATOM 1218 N VAL A 82 -4.868 -1.265 8.453 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.088 -2.563 7.826 1.00 0.00 C ATOM 1220 C VAL A 82 -6.529 -3.027 8.015 1.00 0.00 C ATOM 1221 O VAL A 82 -7.249 -3.257 7.043 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.138 -3.631 8.399 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -4.377 -4.974 7.727 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.689 -3.196 8.238 1.00 0.00 C ATOM 0 H VAL A 82 -3.936 -1.140 8.849 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.885 -2.439 6.762 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.344 -3.742 9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.697 -5.716 8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.407 -5.288 7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.199 -4.881 6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.031 -3.962 8.648 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.467 -3.055 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.529 -2.258 8.770 1.00 0.00 H new ATOM 1234 N ARG A 83 -6.942 -3.161 9.271 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.296 -3.598 9.587 1.00 0.00 C ATOM 1236 C ARG A 83 -9.307 -2.972 8.630 1.00 0.00 C ATOM 1237 O ARG A 83 -10.146 -3.666 8.056 1.00 0.00 O ATOM 1238 CB ARG A 83 -8.649 -3.233 11.030 1.00 0.00 C ATOM 1239 CG ARG A 83 -7.784 -3.934 12.065 1.00 0.00 C ATOM 1240 CD ARG A 83 -8.002 -3.358 13.455 1.00 0.00 C ATOM 1241 NE ARG A 83 -9.160 -3.953 14.118 1.00 0.00 N ATOM 1242 CZ ARG A 83 -9.156 -5.169 14.653 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -8.061 -5.915 14.604 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -10.249 -5.641 15.239 1.00 0.00 N ATOM 0 H ARG A 83 -6.358 -2.973 10.086 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.337 -4.681 9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.551 -2.155 11.157 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.694 -3.482 11.214 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.014 -5.000 12.071 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.734 -3.836 11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.111 -3.526 14.061 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.140 -2.279 13.383 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.018 -3.405 14.173 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.219 -5.556 14.155 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.061 -6.848 15.016 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.093 -5.070 15.279 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.245 -6.575 15.649 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.220 -1.656 8.465 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.128 -0.936 7.580 1.00 0.00 C ATOM 1260 C PHE A 84 -9.842 -1.270 6.119 1.00 0.00 C ATOM 1261 O PHE A 84 -10.762 -1.429 5.315 1.00 0.00 O ATOM 1262 CB PHE A 84 -10.002 0.573 7.804 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.881 1.090 8.907 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -12.260 1.026 8.799 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -10.326 1.640 10.051 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -13.071 1.503 9.812 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -11.132 2.118 11.068 1.00 0.00 C ATOM 1268 CZ PHE A 84 -12.506 2.048 10.949 1.00 0.00 C ATOM 0 H PHE A 84 -8.531 -1.067 8.932 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.146 -1.248 7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.964 0.813 8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.251 1.092 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.707 0.599 7.914 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.252 1.696 10.150 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -14.145 1.450 9.715 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.687 2.546 11.954 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.138 2.418 11.743 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.561 -1.376 5.782 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.153 -1.691 4.418 1.00 0.00 C ATOM 1280 C LEU A 85 -9.102 -2.703 3.785 1.00 0.00 C ATOM 1281 O LEU A 85 -9.203 -3.842 4.239 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.724 -2.238 4.406 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.918 -1.983 3.132 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.427 -2.015 3.428 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.273 -3.005 2.062 1.00 0.00 C ATOM 0 H LEU A 85 -7.788 -1.248 6.435 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.189 -0.772 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.183 -1.804 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.767 -3.314 4.576 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.172 -0.991 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.870 -1.832 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.185 -1.244 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.156 -2.992 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.690 -2.808 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.049 -4.007 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.335 -2.933 1.828 1.00 0.00 H new ATOM 1297 N SER A 86 -9.794 -2.279 2.732 1.00 0.00 N ATOM 1298 CA SER A 86 -10.737 -3.148 2.037 1.00 0.00 C ATOM 1299 C SER A 86 -10.011 -4.059 1.052 1.00 0.00 C ATOM 1300 O SER A 86 -10.090 -5.284 1.147 1.00 0.00 O ATOM 1301 CB SER A 86 -11.785 -2.312 1.300 1.00 0.00 C ATOM 1302 OG SER A 86 -11.211 -1.631 0.198 1.00 0.00 O ATOM 0 H SER A 86 -9.719 -1.340 2.342 1.00 0.00 H new ATOM 0 HA SER A 86 -11.236 -3.770 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.591 -2.958 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.228 -1.591 1.987 1.00 0.00 H new ATOM 0 HG SER A 86 -10.454 -1.090 0.506 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.304 -3.451 0.104 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.564 -4.206 -0.900 1.00 0.00 C ATOM 1310 C PHE A 87 -7.344 -3.424 -1.378 1.00 0.00 C ATOM 1311 O PHE A 87 -7.445 -2.250 -1.730 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.469 -4.537 -2.089 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.737 -5.151 -3.247 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.280 -6.457 -3.181 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.505 -4.422 -4.403 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.606 -7.026 -4.246 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.832 -4.985 -5.470 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.381 -6.288 -5.391 1.00 0.00 C ATOM 0 H PHE A 87 -9.228 -2.438 0.011 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.223 -5.134 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.251 -5.221 -1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.963 -3.625 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.452 -7.038 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.854 -3.402 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.256 -8.046 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.659 -4.407 -6.365 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.853 -6.729 -6.224 1.00 0.00 H new ATOM 1328 N MET A 88 -6.191 -4.086 -1.386 1.00 0.00 N ATOM 1329 CA MET A 88 -4.951 -3.454 -1.821 1.00 0.00 C ATOM 1330 C MET A 88 -4.350 -4.197 -3.010 1.00 0.00 C ATOM 1331 O MET A 88 -4.504 -5.411 -3.137 1.00 0.00 O ATOM 1332 CB MET A 88 -3.945 -3.411 -0.670 1.00 0.00 C ATOM 1333 CG MET A 88 -3.327 -4.762 -0.351 1.00 0.00 C ATOM 1334 SD MET A 88 -2.238 -4.707 1.085 1.00 0.00 S ATOM 1335 CE MET A 88 -3.305 -5.399 2.346 1.00 0.00 C ATOM 0 H MET A 88 -6.090 -5.059 -1.096 1.00 0.00 H new ATOM 0 HA MET A 88 -5.181 -2.435 -2.131 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.151 -2.707 -0.919 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.442 -3.029 0.222 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.121 -5.487 -0.172 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.764 -5.113 -1.216 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.262 -4.777 3.240 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.330 -5.434 1.977 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.973 -6.408 2.590 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.664 -3.460 -3.878 1.00 0.00 N ATOM 1346 CA GLY A 89 -3.050 -4.067 -5.045 1.00 0.00 C ATOM 1347 C GLY A 89 -2.024 -3.162 -5.697 1.00 0.00 C ATOM 1348 O GLY A 89 -1.657 -2.126 -5.142 1.00 0.00 O ATOM 0 H GLY A 89 -3.522 -2.453 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.572 -5.003 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.824 -4.316 -5.771 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.558 -3.554 -6.879 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.568 -2.770 -7.608 1.00 0.00 C ATOM 1354 C VAL A 90 -1.016 -2.515 -9.042 1.00 0.00 C ATOM 1355 O VAL A 90 -1.636 -3.371 -9.672 1.00 0.00 O ATOM 1356 CB VAL A 90 0.801 -3.476 -7.627 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.768 -2.740 -8.543 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.365 -3.583 -6.219 1.00 0.00 C ATOM 0 H VAL A 90 -1.850 -4.409 -7.352 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.471 -1.818 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 90 0.665 -4.485 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.730 -3.253 -8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.366 -2.720 -9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.902 -1.719 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.332 -4.084 -6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.488 -2.585 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.680 -4.157 -5.595 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.698 -1.330 -9.554 1.00 0.00 N ATOM 1369 CA GLY A 91 -1.076 -0.983 -10.912 1.00 0.00 C ATOM 1370 C GLY A 91 -0.263 -1.732 -11.949 1.00 0.00 C ATOM 1371 O GLY A 91 0.492 -2.645 -11.616 1.00 0.00 O ATOM 0 H GLY A 91 -0.186 -0.604 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.134 -1.200 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.947 0.089 -11.059 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.419 -1.347 -13.211 1.00 0.00 N ATOM 1376 CA LYS A 92 0.305 -1.988 -14.302 1.00 0.00 C ATOM 1377 C LYS A 92 1.797 -2.060 -13.996 1.00 0.00 C ATOM 1378 O LYS A 92 2.438 -3.086 -14.225 1.00 0.00 O ATOM 1379 CB LYS A 92 0.078 -1.225 -15.610 1.00 0.00 C ATOM 1380 CG LYS A 92 0.772 0.125 -15.654 1.00 0.00 C ATOM 1381 CD LYS A 92 0.356 0.926 -16.877 1.00 0.00 C ATOM 1382 CE LYS A 92 1.146 2.221 -16.990 1.00 0.00 C ATOM 1383 NZ LYS A 92 0.746 3.208 -15.949 1.00 0.00 N ATOM 0 H LYS A 92 -1.041 -0.593 -13.504 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.075 -3.004 -14.410 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.432 -1.834 -16.442 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.992 -1.079 -15.755 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.534 0.687 -14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.852 -0.020 -15.663 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.508 0.327 -17.775 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.709 1.152 -16.820 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.211 2.006 -16.897 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.994 2.654 -17.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.307 4.076 -16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.264 3.433 -16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.915 2.805 -15.005 1.00 0.00 H new ATOM 1397 N ASP A 93 2.344 -0.967 -13.477 1.00 0.00 N ATOM 1398 CA ASP A 93 3.761 -0.908 -13.136 1.00 0.00 C ATOM 1399 C ASP A 93 3.979 -1.232 -11.662 1.00 0.00 C ATOM 1400 O ASP A 93 3.424 -0.574 -10.782 1.00 0.00 O ATOM 1401 CB ASP A 93 4.327 0.477 -13.456 1.00 0.00 C ATOM 1402 CG ASP A 93 4.853 0.574 -14.874 1.00 0.00 C ATOM 1403 OD1 ASP A 93 4.085 0.275 -15.813 1.00 0.00 O ATOM 1404 OD2 ASP A 93 6.032 0.947 -15.046 1.00 0.00 O ATOM 0 H ASP A 93 1.828 -0.109 -13.283 1.00 0.00 H new ATOM 0 HA ASP A 93 4.285 -1.653 -13.734 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.550 1.227 -13.308 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.131 0.708 -12.757 1.00 0.00 H new ATOM 1409 N VAL A 94 4.791 -2.251 -11.399 1.00 0.00 N ATOM 1410 CA VAL A 94 5.084 -2.664 -10.032 1.00 0.00 C ATOM 1411 C VAL A 94 5.622 -1.498 -9.210 1.00 0.00 C ATOM 1412 O VAL A 94 5.475 -1.466 -7.987 1.00 0.00 O ATOM 1413 CB VAL A 94 6.105 -3.816 -9.999 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.651 -4.958 -10.894 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.482 -3.318 -10.413 1.00 0.00 C ATOM 0 H VAL A 94 5.258 -2.806 -12.116 1.00 0.00 H new ATOM 0 HA VAL A 94 4.146 -3.009 -9.598 1.00 0.00 H new ATOM 0 HB VAL A 94 6.171 -4.191 -8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.385 -5.763 -10.858 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.687 -5.330 -10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.555 -4.601 -11.919 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.192 -4.145 -10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.434 -2.916 -11.425 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.808 -2.536 -9.727 1.00 0.00 H new ATOM 1425 N HIS A 95 6.245 -0.540 -9.888 1.00 0.00 N ATOM 1426 CA HIS A 95 6.805 0.629 -9.221 1.00 0.00 C ATOM 1427 C HIS A 95 5.725 1.386 -8.453 1.00 0.00 C ATOM 1428 O HIS A 95 6.018 2.118 -7.507 1.00 0.00 O ATOM 1429 CB HIS A 95 7.467 1.557 -10.241 1.00 0.00 C ATOM 1430 CG HIS A 95 8.497 0.876 -11.089 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.182 0.157 -12.223 1.00 0.00 N ATOM 1432 CD2 HIS A 95 9.843 0.810 -10.965 1.00 0.00 C ATOM 1433 CE1 HIS A 95 9.290 -0.324 -12.758 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.312 0.059 -12.015 1.00 0.00 N ATOM 0 H HIS A 95 6.375 -0.550 -10.900 1.00 0.00 H new ATOM 0 HA HIS A 95 7.558 0.285 -8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.698 1.981 -10.887 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.934 2.389 -9.714 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.438 1.263 -10.186 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.350 -0.928 -13.651 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.291 -0.166 -12.192 1.00 0.00 H new ATOM 1443 N THR A 96 4.475 1.205 -8.867 1.00 0.00 N ATOM 1444 CA THR A 96 3.352 1.871 -8.220 1.00 0.00 C ATOM 1445 C THR A 96 2.711 0.972 -7.169 1.00 0.00 C ATOM 1446 O THR A 96 2.864 -0.249 -7.205 1.00 0.00 O ATOM 1447 CB THR A 96 2.280 2.288 -9.245 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.701 1.126 -9.849 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.879 3.179 -10.323 1.00 0.00 C ATOM 0 H THR A 96 4.215 0.602 -9.648 1.00 0.00 H new ATOM 0 HA THR A 96 3.750 2.764 -7.737 1.00 0.00 H new ATOM 0 HB THR A 96 1.507 2.849 -8.720 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.372 0.678 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.103 3.460 -11.035 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.293 4.077 -9.864 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.670 2.639 -10.843 1.00 0.00 H new ATOM 1457 N PHE A 97 1.992 1.584 -6.233 1.00 0.00 N ATOM 1458 CA PHE A 97 1.327 0.839 -5.171 1.00 0.00 C ATOM 1459 C PHE A 97 0.140 1.622 -4.618 1.00 0.00 C ATOM 1460 O PHE A 97 0.308 2.682 -4.016 1.00 0.00 O ATOM 1461 CB PHE A 97 2.315 0.524 -4.045 1.00 0.00 C ATOM 1462 CG PHE A 97 1.655 0.025 -2.791 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.961 -1.174 -2.789 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.730 0.753 -1.615 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.352 -1.636 -1.637 1.00 0.00 C ATOM 1466 CE2 PHE A 97 1.124 0.296 -0.460 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.435 -0.900 -0.471 1.00 0.00 C ATOM 0 H PHE A 97 1.855 2.594 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 97 0.957 -0.096 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.026 -0.225 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.887 1.422 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.895 -1.754 -3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.269 1.689 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.188 -2.571 -1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.189 0.874 0.450 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.038 -1.260 0.431 1.00 0.00 H new ATOM 1477 N ALA A 98 -1.060 1.091 -4.827 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.275 1.738 -4.348 1.00 0.00 C ATOM 1479 C ALA A 98 -3.113 0.780 -3.508 1.00 0.00 C ATOM 1480 O ALA A 98 -3.116 -0.428 -3.743 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.089 2.264 -5.521 1.00 0.00 C ATOM 0 H ALA A 98 -1.217 0.215 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.985 2.576 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.994 2.745 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.496 2.988 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.361 1.436 -6.176 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.823 1.327 -2.527 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.664 0.521 -1.650 1.00 0.00 C ATOM 1489 C PHE A 99 -5.989 1.223 -1.370 1.00 0.00 C ATOM 1490 O PHE A 99 -6.038 2.446 -1.229 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.938 0.234 -0.334 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.725 1.457 0.512 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.798 2.094 1.113 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.452 1.969 0.706 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.606 3.220 1.893 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.254 3.093 1.484 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.332 3.720 2.078 1.00 0.00 C ATOM 0 H PHE A 99 -3.833 2.326 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.873 -0.422 -2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.511 -0.497 0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.971 -0.220 -0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.796 1.707 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.605 1.484 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.451 3.707 2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.257 3.482 1.628 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.179 4.599 2.686 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.061 0.442 -1.291 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.386 0.988 -1.027 1.00 0.00 C ATOM 1509 C ILE A 100 -8.777 0.801 0.435 1.00 0.00 C ATOM 1510 O ILE A 100 -8.750 -0.313 0.957 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.454 0.331 -1.921 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.086 0.493 -3.397 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.823 0.933 -1.642 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.675 -0.577 -4.289 1.00 0.00 C ATOM 0 H ILE A 100 -7.038 -0.571 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.339 2.053 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.493 -0.734 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.425 1.470 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.001 0.480 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.567 0.458 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.086 0.770 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.798 2.003 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.372 -0.398 -5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.316 -1.555 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.762 -0.550 -4.220 1.00 0.00 H new ATOM 1526 N MET A 101 -9.143 1.898 1.089 1.00 0.00 N ATOM 1527 CA MET A 101 -9.544 1.854 2.490 1.00 0.00 C ATOM 1528 C MET A 101 -10.947 2.424 2.673 1.00 0.00 C ATOM 1529 O MET A 101 -11.506 3.027 1.757 1.00 0.00 O ATOM 1530 CB MET A 101 -8.548 2.633 3.352 1.00 0.00 C ATOM 1531 CG MET A 101 -8.583 4.134 3.116 1.00 0.00 C ATOM 1532 SD MET A 101 -7.197 4.992 3.886 1.00 0.00 S ATOM 1533 CE MET A 101 -7.996 5.707 5.321 1.00 0.00 C ATOM 0 H MET A 101 -9.170 2.828 0.671 1.00 0.00 H new ATOM 0 HA MET A 101 -9.551 0.811 2.807 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.757 2.434 4.403 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.542 2.265 3.152 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.575 4.329 2.044 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.517 4.537 3.507 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.326 5.647 6.178 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.237 6.751 5.121 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.913 5.159 5.538 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.509 2.230 3.861 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.847 2.725 4.164 1.00 0.00 C ATOM 1545 C ASP A 102 -12.781 3.939 5.086 1.00 0.00 C ATOM 1546 O ASP A 102 -12.380 3.831 6.245 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.688 1.624 4.810 1.00 0.00 C ATOM 1548 CG ASP A 102 -15.046 2.123 5.264 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -15.873 2.467 4.394 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -15.281 2.169 6.489 1.00 0.00 O ATOM 0 H ASP A 102 -11.059 1.734 4.630 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.316 3.027 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.823 0.809 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.150 1.215 5.665 1.00 0.00 H new ATOM 1555 N THR A 103 -13.176 5.096 4.563 1.00 0.00 N ATOM 1556 CA THR A 103 -13.160 6.330 5.338 1.00 0.00 C ATOM 1557 C THR A 103 -14.573 6.768 5.704 1.00 0.00 C ATOM 1558 O THR A 103 -14.911 7.947 5.613 1.00 0.00 O ATOM 1559 CB THR A 103 -12.465 7.468 4.566 1.00 0.00 C ATOM 1560 OG1 THR A 103 -13.240 7.825 3.417 1.00 0.00 O ATOM 1561 CG2 THR A 103 -11.067 7.054 4.133 1.00 0.00 C ATOM 0 H THR A 103 -13.511 5.204 3.606 1.00 0.00 H new ATOM 0 HA THR A 103 -12.600 6.124 6.250 1.00 0.00 H new ATOM 0 HB THR A 103 -12.382 8.329 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.031 8.746 3.154 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.597 7.874 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.470 6.812 5.013 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.131 6.179 3.486 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.396 4.874 0.766 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.367 5.635 0.067 1.00 0.00 C ATOM 1609 C ARG A 107 -15.973 5.193 0.503 1.00 0.00 C ATOM 1610 O ARG A 107 -15.630 5.261 1.683 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.544 7.132 0.329 1.00 0.00 C ATOM 1612 CG ARG A 107 -17.013 7.581 1.680 1.00 0.00 C ATOM 1613 CD ARG A 107 -17.772 8.790 2.204 1.00 0.00 C ATOM 1614 NE ARG A 107 -16.981 9.561 3.160 1.00 0.00 N ATOM 1615 CZ ARG A 107 -15.951 10.324 2.815 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -15.588 10.419 1.543 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -15.281 10.996 3.743 1.00 0.00 N ATOM 0 HA ARG A 107 -17.472 5.445 -1.001 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.036 7.692 -0.456 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -18.603 7.381 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.094 6.762 2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.954 7.825 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.055 9.430 1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.695 8.460 2.680 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.234 9.510 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.101 9.905 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -14.796 11.006 1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.557 10.926 4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -14.490 11.582 3.477 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.175 4.739 -0.458 1.00 0.00 N ATOM 1632 CA PHE A 108 -13.819 4.284 -0.174 1.00 0.00 C ATOM 1633 C PHE A 108 -12.794 5.118 -0.937 1.00 0.00 C ATOM 1634 O PHE A 108 -13.002 5.463 -2.100 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.667 2.807 -0.542 1.00 0.00 C ATOM 1636 CG PHE A 108 -14.833 1.960 -0.118 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.345 2.057 1.166 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.416 1.067 -1.002 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.419 1.279 1.559 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.489 0.288 -0.615 1.00 0.00 C ATOM 1641 CZ PHE A 108 -16.990 0.393 0.668 1.00 0.00 C ATOM 0 H PHE A 108 -15.444 4.676 -1.440 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.638 4.406 0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.539 2.721 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.759 2.418 -0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -14.901 2.748 1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.027 0.979 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.810 1.365 2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.936 -0.403 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.827 -0.217 0.973 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.688 5.438 -0.274 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.631 6.232 -0.889 1.00 0.00 C ATOM 1653 C GLU A 109 -9.423 5.363 -1.226 1.00 0.00 C ATOM 1654 O GLU A 109 -9.014 4.515 -0.432 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.210 7.371 0.043 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.361 8.269 0.465 1.00 0.00 C ATOM 1657 CD GLU A 109 -11.010 9.147 1.651 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -9.805 9.304 1.938 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -11.942 9.678 2.291 1.00 0.00 O ATOM 0 H GLU A 109 -11.500 5.160 0.689 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.022 6.655 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.745 6.948 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.452 7.976 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.653 8.899 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.224 7.653 0.716 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.858 5.580 -2.409 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.698 4.816 -2.853 1.00 0.00 C ATOM 1668 C CYS A 110 -6.461 5.705 -2.936 1.00 0.00 C ATOM 1669 O CYS A 110 -6.370 6.583 -3.794 1.00 0.00 O ATOM 1670 CB CYS A 110 -7.973 4.176 -4.215 1.00 0.00 C ATOM 1671 SG CYS A 110 -6.566 3.274 -4.904 1.00 0.00 S ATOM 0 H CYS A 110 -9.184 6.278 -3.077 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.510 4.030 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -8.817 3.493 -4.120 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.271 4.955 -4.917 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.731 2.980 -3.952 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.510 5.472 -2.036 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.278 6.252 -2.007 1.00 0.00 C ATOM 1679 C HIS A 111 -3.177 5.561 -2.805 1.00 0.00 C ATOM 1680 O HIS A 111 -2.965 4.355 -2.674 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.820 6.467 -0.564 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.902 6.973 0.340 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.068 8.308 0.640 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.877 6.314 1.009 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -6.098 8.449 1.456 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.606 7.253 1.695 1.00 0.00 N ATOM 0 H HIS A 111 -5.569 4.750 -1.318 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.480 7.220 -2.465 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.439 5.526 -0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.991 7.175 -0.556 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.049 5.248 1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.462 9.383 1.859 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.410 7.059 2.292 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.481 6.332 -3.634 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.402 5.793 -4.454 1.00 0.00 C ATOM 1696 C VAL A 112 -0.052 6.357 -4.025 1.00 0.00 C ATOM 1697 O VAL A 112 0.059 7.532 -3.673 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.624 6.101 -5.947 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.764 5.193 -6.813 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.095 5.960 -6.307 1.00 0.00 C ATOM 0 H VAL A 112 -2.645 7.331 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.404 4.713 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.325 7.132 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.934 5.425 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.287 5.350 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.028 4.153 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.233 6.181 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.423 4.941 -6.103 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.684 6.657 -5.711 1.00 0.00 H new ATOM 1710 N PHE A 113 0.973 5.512 -4.057 1.00 0.00 N ATOM 1711 CA PHE A 113 2.317 5.925 -3.671 1.00 0.00 C ATOM 1712 C PHE A 113 3.368 5.239 -4.539 1.00 0.00 C ATOM 1713 O PHE A 113 3.342 4.021 -4.717 1.00 0.00 O ATOM 1714 CB PHE A 113 2.569 5.604 -2.196 1.00 0.00 C ATOM 1715 CG PHE A 113 1.451 6.035 -1.290 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.360 5.209 -1.073 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.491 7.266 -0.656 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.670 5.601 -0.239 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.464 7.664 0.179 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.618 6.831 0.387 1.00 0.00 C ATOM 0 H PHE A 113 0.898 4.537 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 113 2.395 7.002 -3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.721 4.530 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.491 6.091 -1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.314 4.247 -1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.334 7.922 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.514 4.947 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.507 8.626 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.422 7.141 1.038 1.00 0.00 H new ATOM 1730 N TRP A 114 4.290 6.029 -5.076 1.00 0.00 N ATOM 1731 CA TRP A 114 5.350 5.498 -5.926 1.00 0.00 C ATOM 1732 C TRP A 114 6.470 4.895 -5.087 1.00 0.00 C ATOM 1733 O TRP A 114 7.041 5.563 -4.224 1.00 0.00 O ATOM 1734 CB TRP A 114 5.908 6.600 -6.829 1.00 0.00 C ATOM 1735 CG TRP A 114 6.859 6.090 -7.870 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.203 5.896 -7.727 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.537 5.712 -9.212 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.736 5.420 -8.901 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.734 5.298 -9.827 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.353 5.682 -9.955 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.780 4.860 -11.148 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.400 5.247 -11.266 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.606 4.840 -11.851 1.00 0.00 C ATOM 0 H TRP A 114 4.326 7.039 -4.938 1.00 0.00 H new ATOM 0 HA TRP A 114 4.923 4.711 -6.547 1.00 0.00 H new ATOM 0 HB2 TRP A 114 5.080 7.110 -7.322 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.418 7.341 -6.213 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.764 6.088 -6.825 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.718 5.194 -9.057 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.418 5.993 -9.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.709 4.547 -11.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.491 5.220 -11.849 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.609 4.504 -12.877 1.00 0.00 H new ATOM 1754 N CYS A 115 6.781 3.629 -5.344 1.00 0.00 N ATOM 1755 CA CYS A 115 7.834 2.936 -4.611 1.00 0.00 C ATOM 1756 C CYS A 115 9.130 2.909 -5.415 1.00 0.00 C ATOM 1757 O CYS A 115 9.118 3.075 -6.634 1.00 0.00 O ATOM 1758 CB CYS A 115 7.397 1.508 -4.277 1.00 0.00 C ATOM 1759 SG CYS A 115 6.055 1.410 -3.070 1.00 0.00 S ATOM 0 H CYS A 115 6.319 3.062 -6.055 1.00 0.00 H new ATOM 0 HA CYS A 115 8.015 3.480 -3.684 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.082 1.012 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.256 0.957 -3.895 1.00 0.00 H new ATOM 0 HG CYS A 115 5.011 2.033 -3.530 1.00 0.00 H new ATOM 1765 N GLU A 116 10.245 2.701 -4.723 1.00 0.00 N ATOM 1766 CA GLU A 116 11.550 2.656 -5.374 1.00 0.00 C ATOM 1767 C GLU A 116 12.476 1.670 -4.667 1.00 0.00 C ATOM 1768 O GLU A 116 12.692 1.740 -3.457 1.00 0.00 O ATOM 1769 CB GLU A 116 12.185 4.048 -5.390 1.00 0.00 C ATOM 1770 CG GLU A 116 11.406 5.063 -6.209 1.00 0.00 C ATOM 1771 CD GLU A 116 12.275 6.200 -6.710 1.00 0.00 C ATOM 1772 OE1 GLU A 116 13.212 6.594 -5.985 1.00 0.00 O ATOM 1773 OE2 GLU A 116 12.019 6.694 -7.827 1.00 0.00 O ATOM 0 H GLU A 116 10.272 2.561 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 116 11.405 2.320 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.272 4.410 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.197 3.972 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.945 4.561 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.597 5.469 -5.602 1.00 0.00 H new ATOM 1780 N PRO A 117 13.036 0.728 -5.440 1.00 0.00 N ATOM 1781 CA PRO A 117 12.786 0.633 -6.881 1.00 0.00 C ATOM 1782 C PRO A 117 11.363 0.183 -7.194 1.00 0.00 C ATOM 1783 O PRO A 117 10.680 0.783 -8.023 1.00 0.00 O ATOM 1784 CB PRO A 117 13.794 -0.419 -7.349 1.00 0.00 C ATOM 1785 CG PRO A 117 14.061 -1.250 -6.142 1.00 0.00 C ATOM 1786 CD PRO A 117 13.957 -0.319 -4.966 1.00 0.00 C ATOM 0 HA PRO A 117 12.895 1.597 -7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.389 -1.021 -8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.708 0.045 -7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.340 -2.063 -6.061 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.050 -1.705 -6.193 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.568 -0.828 -4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.928 0.094 -4.693 1.00 0.00 H new ATOM 1794 N ASN A 118 10.922 -0.877 -6.524 1.00 0.00 N ATOM 1795 CA ASN A 118 9.579 -1.408 -6.731 1.00 0.00 C ATOM 1796 C ASN A 118 8.791 -1.417 -5.425 1.00 0.00 C ATOM 1797 O ASN A 118 9.303 -1.028 -4.376 1.00 0.00 O ATOM 1798 CB ASN A 118 9.651 -2.823 -7.307 1.00 0.00 C ATOM 1799 CG ASN A 118 10.879 -3.578 -6.834 1.00 0.00 C ATOM 1800 OD1 ASN A 118 10.700 -4.430 -5.832 1.00 0.00 O flip ATOM 1801 ND2 ASN A 118 11.975 -3.397 -7.365 1.00 0.00 N flip ATOM 0 H ASN A 118 11.475 -1.385 -5.833 1.00 0.00 H new ATOM 0 HA ASN A 118 9.064 -0.760 -7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.756 -3.375 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.658 -2.769 -8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 118 12.066 -2.732 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 118 12.792 -3.912 -7.037 1.00 0.00 H new ATOM 1808 N ALA A 119 7.542 -1.866 -5.498 1.00 0.00 N ATOM 1809 CA ALA A 119 6.683 -1.929 -4.322 1.00 0.00 C ATOM 1810 C ALA A 119 6.649 -3.339 -3.742 1.00 0.00 C ATOM 1811 O ALA A 119 5.581 -3.868 -3.435 1.00 0.00 O ATOM 1812 CB ALA A 119 5.276 -1.465 -4.670 1.00 0.00 C ATOM 0 H ALA A 119 7.103 -2.191 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 119 7.096 -1.263 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.646 -1.517 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.311 -0.437 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.863 -2.108 -5.447 1.00 0.00 H new ATOM 1818 N ALA A 120 7.824 -3.942 -3.596 1.00 0.00 N ATOM 1819 CA ALA A 120 7.928 -5.290 -3.051 1.00 0.00 C ATOM 1820 C ALA A 120 7.846 -5.276 -1.529 1.00 0.00 C ATOM 1821 O ALA A 120 6.986 -5.928 -0.938 1.00 0.00 O ATOM 1822 CB ALA A 120 9.224 -5.944 -3.506 1.00 0.00 C ATOM 0 H ALA A 120 8.717 -3.518 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 120 7.087 -5.873 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.289 -6.950 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.242 -5.998 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.071 -5.353 -3.158 1.00 0.00 H new ATOM 1828 N ASN A 121 8.746 -4.527 -0.899 1.00 0.00 N ATOM 1829 CA ASN A 121 8.775 -4.429 0.555 1.00 0.00 C ATOM 1830 C ASN A 121 7.529 -3.719 1.078 1.00 0.00 C ATOM 1831 O ASN A 121 7.005 -4.063 2.137 1.00 0.00 O ATOM 1832 CB ASN A 121 10.030 -3.682 1.012 1.00 0.00 C ATOM 1833 CG ASN A 121 11.306 -4.375 0.574 1.00 0.00 C ATOM 1834 OD1 ASN A 121 12.091 -3.824 -0.199 1.00 0.00 O ATOM 1835 ND2 ASN A 121 11.519 -5.589 1.067 1.00 0.00 N ATOM 0 H ASN A 121 9.464 -3.980 -1.373 1.00 0.00 H new ATOM 0 HA ASN A 121 8.793 -5.440 0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.013 -2.669 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.022 -3.594 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.361 -6.104 0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 121 10.841 -6.007 1.705 1.00 0.00 H new ATOM 1842 N VAL A 122 7.061 -2.728 0.327 1.00 0.00 N ATOM 1843 CA VAL A 122 5.876 -1.971 0.713 1.00 0.00 C ATOM 1844 C VAL A 122 4.628 -2.846 0.677 1.00 0.00 C ATOM 1845 O VAL A 122 3.804 -2.807 1.589 1.00 0.00 O ATOM 1846 CB VAL A 122 5.663 -0.754 -0.207 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.362 -0.045 0.137 1.00 0.00 C ATOM 1848 CG2 VAL A 122 6.843 0.201 -0.108 1.00 0.00 C ATOM 0 H VAL A 122 7.484 -2.430 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 122 6.042 -1.622 1.732 1.00 0.00 H new ATOM 0 HB VAL A 122 5.595 -1.106 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.229 0.812 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.527 -0.734 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.396 0.296 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.676 1.055 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.945 0.548 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.755 -0.315 -0.409 1.00 0.00 H new ATOM 1858 N SER A 123 4.497 -3.636 -0.384 1.00 0.00 N ATOM 1859 CA SER A 123 3.348 -4.519 -0.542 1.00 0.00 C ATOM 1860 C SER A 123 3.496 -5.764 0.328 1.00 0.00 C ATOM 1861 O SER A 123 2.512 -6.425 0.657 1.00 0.00 O ATOM 1862 CB SER A 123 3.186 -4.925 -2.008 1.00 0.00 C ATOM 1863 OG SER A 123 4.235 -5.786 -2.418 1.00 0.00 O ATOM 0 H SER A 123 5.173 -3.682 -1.147 1.00 0.00 H new ATOM 0 HA SER A 123 2.458 -3.976 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.227 -5.424 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.176 -4.034 -2.636 1.00 0.00 H new ATOM 0 HG SER A 123 4.915 -5.268 -2.897 1.00 0.00 H new ATOM 1869 N GLU A 124 4.735 -6.077 0.695 1.00 0.00 N ATOM 1870 CA GLU A 124 5.013 -7.243 1.526 1.00 0.00 C ATOM 1871 C GLU A 124 4.719 -6.948 2.994 1.00 0.00 C ATOM 1872 O GLU A 124 4.139 -7.772 3.700 1.00 0.00 O ATOM 1873 CB GLU A 124 6.471 -7.677 1.364 1.00 0.00 C ATOM 1874 CG GLU A 124 6.862 -8.843 2.255 1.00 0.00 C ATOM 1875 CD GLU A 124 8.338 -9.178 2.163 1.00 0.00 C ATOM 1876 OE1 GLU A 124 8.859 -9.266 1.032 1.00 0.00 O ATOM 1877 OE2 GLU A 124 8.973 -9.353 3.225 1.00 0.00 O ATOM 0 H GLU A 124 5.561 -5.540 0.430 1.00 0.00 H new ATOM 0 HA GLU A 124 4.362 -8.053 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.646 -7.951 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.120 -6.829 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.611 -8.606 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.276 -9.720 1.978 1.00 0.00 H new ATOM 1884 N ALA A 125 5.125 -5.766 3.446 1.00 0.00 N ATOM 1885 CA ALA A 125 4.904 -5.360 4.829 1.00 0.00 C ATOM 1886 C ALA A 125 3.417 -5.194 5.122 1.00 0.00 C ATOM 1887 O ALA A 125 2.910 -5.703 6.122 1.00 0.00 O ATOM 1888 CB ALA A 125 5.650 -4.067 5.125 1.00 0.00 C ATOM 0 H ALA A 125 5.609 -5.073 2.875 1.00 0.00 H new ATOM 0 HA ALA A 125 5.290 -6.146 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.476 -3.776 6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.718 -4.218 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.291 -3.280 4.462 1.00 0.00 H new ATOM 1894 N VAL A 126 2.722 -4.478 4.244 1.00 0.00 N ATOM 1895 CA VAL A 126 1.292 -4.245 4.408 1.00 0.00 C ATOM 1896 C VAL A 126 0.506 -5.546 4.287 1.00 0.00 C ATOM 1897 O VAL A 126 -0.373 -5.828 5.100 1.00 0.00 O ATOM 1898 CB VAL A 126 0.764 -3.240 3.367 1.00 0.00 C ATOM 1899 CG1 VAL A 126 0.964 -3.776 1.958 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.702 -2.928 3.625 1.00 0.00 C ATOM 0 H VAL A 126 3.126 -4.049 3.412 1.00 0.00 H new ATOM 0 HA VAL A 126 1.151 -3.830 5.406 1.00 0.00 H new ATOM 0 HB VAL A 126 1.331 -2.314 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.585 -3.052 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.026 -3.944 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.424 -4.716 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.059 -2.216 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.286 -3.846 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.813 -2.498 4.620 1.00 0.00 H new ATOM 1910 N GLN A 127 0.830 -6.334 3.267 1.00 0.00 N ATOM 1911 CA GLN A 127 0.153 -7.605 3.040 1.00 0.00 C ATOM 1912 C GLN A 127 0.323 -8.534 4.238 1.00 0.00 C ATOM 1913 O GLN A 127 -0.649 -9.093 4.744 1.00 0.00 O ATOM 1914 CB GLN A 127 0.696 -8.278 1.778 1.00 0.00 C ATOM 1915 CG GLN A 127 -0.045 -9.549 1.399 1.00 0.00 C ATOM 1916 CD GLN A 127 0.772 -10.456 0.499 1.00 0.00 C ATOM 1917 OE1 GLN A 127 0.370 -10.556 -0.762 1.00 0.00 O flip ATOM 1918 NE2 GLN A 127 1.754 -11.059 0.933 1.00 0.00 N flip ATOM 0 H GLN A 127 1.556 -6.115 2.585 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.910 -7.403 2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.640 -7.574 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.750 -8.513 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.316 -10.091 2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.975 -9.286 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.027 -10.953 1.910 1.00 0.00 H new ATOM 0 HE22 GLN A 127 2.294 -11.665 0.316 1.00 0.00 H new ATOM 1927 N ALA A 128 1.564 -8.693 4.686 1.00 0.00 N ATOM 1928 CA ALA A 128 1.860 -9.552 5.825 1.00 0.00 C ATOM 1929 C ALA A 128 1.264 -8.986 7.110 1.00 0.00 C ATOM 1930 O ALA A 128 0.714 -9.723 7.928 1.00 0.00 O ATOM 1931 CB ALA A 128 3.363 -9.733 5.974 1.00 0.00 C ATOM 0 H ALA A 128 2.380 -8.238 4.277 1.00 0.00 H new ATOM 0 HA ALA A 128 1.404 -10.525 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.569 -10.377 6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.766 -10.190 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.833 -8.762 6.130 1.00 0.00 H new ATOM 1937 N ALA A 129 1.378 -7.673 7.281 1.00 0.00 N ATOM 1938 CA ALA A 129 0.849 -7.008 8.465 1.00 0.00 C ATOM 1939 C ALA A 129 -0.542 -7.526 8.811 1.00 0.00 C ATOM 1940 O ALA A 129 -0.852 -7.772 9.977 1.00 0.00 O ATOM 1941 CB ALA A 129 0.816 -5.501 8.254 1.00 0.00 C ATOM 0 H ALA A 129 1.832 -7.049 6.614 1.00 0.00 H new ATOM 0 HA ALA A 129 1.510 -7.232 9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.419 -5.017 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.826 -5.138 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.180 -5.267 7.401 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.378 -7.689 7.791 1.00 0.00 N ATOM 1948 CA CYS A 130 -2.738 -8.177 7.987 1.00 0.00 C ATOM 1949 C CYS A 130 -2.757 -9.366 8.942 1.00 0.00 C ATOM 1950 O CYS A 130 -3.508 -9.380 9.917 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.358 -8.575 6.647 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.482 -7.218 5.459 1.00 0.00 S ATOM 0 H CYS A 130 -1.137 -7.490 6.820 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.326 -7.371 8.426 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -2.763 -9.376 6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.354 -8.979 6.826 1.00 0.00 H new ATOM 0 HG CYS A 130 -3.744 -7.697 4.279 1.00 0.00 H new ATOM 2337 N HIS A 163 6.372 -12.013 -7.049 1.00 0.00 N ATOM 2338 CA HIS A 163 5.349 -11.748 -6.043 1.00 0.00 C ATOM 2339 C HIS A 163 4.509 -10.534 -6.429 1.00 0.00 C ATOM 2340 O HIS A 163 3.279 -10.579 -6.391 1.00 0.00 O ATOM 2341 CB HIS A 163 5.994 -11.524 -4.676 1.00 0.00 C ATOM 2342 CG HIS A 163 5.194 -10.633 -3.775 1.00 0.00 C ATOM 2343 ND1 HIS A 163 4.043 -11.045 -3.138 1.00 0.00 N ATOM 2344 CD2 HIS A 163 5.387 -9.345 -3.405 1.00 0.00 C ATOM 2345 CE1 HIS A 163 3.561 -10.049 -2.417 1.00 0.00 C ATOM 2346 NE2 HIS A 163 4.358 -9.006 -2.561 1.00 0.00 N ATOM 0 HA HIS A 163 4.694 -12.618 -5.988 1.00 0.00 H new ATOM 0 HB2 HIS A 163 6.135 -12.488 -4.188 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.984 -11.090 -4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 163 6.199 -8.704 -3.716 1.00 0.00 H new ATOM 0 HE1 HIS A 163 2.667 -10.082 -1.812 1.00 0.00 H new ATOM 0 HE2 HIS A 163 4.230 -8.096 -2.117 1.00 0.00 H new ATOM 2354 N LEU A 164 5.182 -9.450 -6.798 1.00 0.00 N ATOM 2355 CA LEU A 164 4.498 -8.222 -7.190 1.00 0.00 C ATOM 2356 C LEU A 164 3.435 -8.504 -8.247 1.00 0.00 C ATOM 2357 O LEU A 164 2.321 -7.986 -8.176 1.00 0.00 O ATOM 2358 CB LEU A 164 5.505 -7.202 -7.723 1.00 0.00 C ATOM 2359 CG LEU A 164 6.260 -6.390 -6.670 1.00 0.00 C ATOM 2360 CD1 LEU A 164 7.621 -5.965 -7.198 1.00 0.00 C ATOM 2361 CD2 LEU A 164 5.446 -5.176 -6.247 1.00 0.00 C ATOM 0 H LEU A 164 6.200 -9.396 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 164 4.007 -7.812 -6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.234 -7.729 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 164 4.977 -6.509 -8.378 1.00 0.00 H new ATOM 0 HG LEU A 164 6.414 -7.021 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.143 -5.388 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.206 -6.850 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.490 -5.352 -8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 164 5.999 -4.610 -5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.259 -4.543 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 164 4.496 -5.504 -5.826 1.00 0.00 H new ATOM 2373 N SER A 165 3.787 -9.331 -9.227 1.00 0.00 N ATOM 2374 CA SER A 165 2.864 -9.682 -10.300 1.00 0.00 C ATOM 2375 C SER A 165 1.540 -10.185 -9.735 1.00 0.00 C ATOM 2376 O SER A 165 0.466 -9.775 -10.176 1.00 0.00 O ATOM 2377 CB SER A 165 3.484 -10.747 -11.206 1.00 0.00 C ATOM 2378 OG SER A 165 4.505 -10.196 -12.018 1.00 0.00 O ATOM 0 H SER A 165 4.705 -9.770 -9.300 1.00 0.00 H new ATOM 0 HA SER A 165 2.670 -8.785 -10.887 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.895 -11.552 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 165 2.711 -11.187 -11.837 1.00 0.00 H new ATOM 0 HG SER A 165 4.886 -10.898 -12.586 1.00 0.00 H new ATOM 2384 N LYS A 166 1.624 -11.078 -8.754 1.00 0.00 N ATOM 2385 CA LYS A 166 0.434 -11.639 -8.125 1.00 0.00 C ATOM 2386 C LYS A 166 -0.451 -10.536 -7.554 1.00 0.00 C ATOM 2387 O LYS A 166 -1.671 -10.563 -7.711 1.00 0.00 O ATOM 2388 CB LYS A 166 0.831 -12.615 -7.015 1.00 0.00 C ATOM 2389 CG LYS A 166 1.134 -14.016 -7.516 1.00 0.00 C ATOM 2390 CD LYS A 166 2.583 -14.151 -7.952 1.00 0.00 C ATOM 2391 CE LYS A 166 2.938 -15.597 -8.266 1.00 0.00 C ATOM 2392 NZ LYS A 166 3.068 -16.417 -7.030 1.00 0.00 N ATOM 0 H LYS A 166 2.505 -11.429 -8.377 1.00 0.00 H new ATOM 0 HA LYS A 166 -0.131 -12.175 -8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.708 -12.226 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 166 0.025 -12.667 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 166 0.921 -14.739 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 166 0.478 -14.254 -8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 166 2.758 -13.533 -8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 166 3.237 -13.777 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 166 2.170 -16.028 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 166 3.875 -15.628 -8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 3.425 -17.362 -7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 3.732 -15.956 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 2.138 -16.507 -6.573 1.00 0.00 H new ATOM 2406 N MET A 167 0.172 -9.566 -6.893 1.00 0.00 N ATOM 2407 CA MET A 167 -0.560 -8.452 -6.302 1.00 0.00 C ATOM 2408 C MET A 167 -1.360 -7.703 -7.362 1.00 0.00 C ATOM 2409 O MET A 167 -2.556 -7.463 -7.196 1.00 0.00 O ATOM 2410 CB MET A 167 0.406 -7.493 -5.603 1.00 0.00 C ATOM 2411 CG MET A 167 1.255 -8.158 -4.532 1.00 0.00 C ATOM 2412 SD MET A 167 0.265 -9.043 -3.312 1.00 0.00 S ATOM 2413 CE MET A 167 -0.346 -7.683 -2.320 1.00 0.00 C ATOM 0 H MET A 167 1.182 -9.529 -6.753 1.00 0.00 H new ATOM 0 HA MET A 167 -1.255 -8.856 -5.566 1.00 0.00 H new ATOM 0 HB2 MET A 167 1.062 -7.044 -6.349 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.164 -6.682 -5.151 1.00 0.00 H new ATOM 0 HG2 MET A 167 1.950 -8.853 -5.004 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.855 -7.401 -4.027 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.977 -8.071 -1.520 1.00 0.00 H new ATOM 0 HE2 MET A 167 0.495 -7.141 -1.888 1.00 0.00 H new ATOM 0 HE3 MET A 167 -0.929 -7.008 -2.947 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.693 -7.336 -8.452 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.343 -6.614 -9.539 1.00 0.00 C ATOM 2425 C GLN A 168 -2.297 -7.525 -10.304 1.00 0.00 C ATOM 2426 O GLN A 168 -3.111 -7.058 -11.100 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.297 -6.034 -10.492 1.00 0.00 C ATOM 2428 CG GLN A 168 0.612 -7.085 -11.110 1.00 0.00 C ATOM 2429 CD GLN A 168 1.280 -6.603 -12.382 1.00 0.00 C ATOM 2430 OE1 GLN A 168 1.225 -7.269 -13.417 1.00 0.00 O ATOM 2431 NE2 GLN A 168 1.917 -5.440 -12.313 1.00 0.00 N ATOM 0 H GLN A 168 0.297 -7.527 -8.605 1.00 0.00 H new ATOM 0 HA GLN A 168 -1.920 -5.797 -9.105 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -0.805 -5.491 -11.289 1.00 0.00 H new ATOM 0 HB3 GLN A 168 0.313 -5.310 -9.952 1.00 0.00 H new ATOM 0 HG2 GLN A 168 1.377 -7.369 -10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 168 0.030 -7.981 -11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.938 -4.921 -11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 168 2.386 -5.066 -13.138 1.00 0.00 H new ATOM 2440 N GLN A 169 -2.188 -8.827 -10.059 1.00 0.00 N ATOM 2441 CA GLN A 169 -3.041 -9.803 -10.727 1.00 0.00 C ATOM 2442 C GLN A 169 -4.395 -9.907 -10.035 1.00 0.00 C ATOM 2443 O GLN A 169 -5.407 -9.442 -10.557 1.00 0.00 O ATOM 2444 CB GLN A 169 -2.361 -11.173 -10.751 1.00 0.00 C ATOM 2445 CG GLN A 169 -1.486 -11.397 -11.974 1.00 0.00 C ATOM 2446 CD GLN A 169 -1.318 -12.865 -12.311 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -1.800 -13.337 -13.341 1.00 0.00 O ATOM 2448 NE2 GLN A 169 -0.630 -13.597 -11.442 1.00 0.00 N ATOM 0 H GLN A 169 -1.518 -9.230 -9.404 1.00 0.00 H new ATOM 0 HA GLN A 169 -3.202 -9.466 -11.751 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.752 -11.283 -9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -3.125 -11.949 -10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.923 -10.880 -12.828 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.506 -10.954 -11.801 1.00 0.00 H new ATOM 0 HE21 GLN A 169 -0.248 -13.165 -10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 169 -0.484 -14.591 -11.616 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.406 -10.521 -8.856 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.638 -10.687 -8.092 1.00 0.00 C ATOM 2459 C ASN A 170 -5.657 -9.756 -6.883 1.00 0.00 C ATOM 2460 O ASN A 170 -6.721 -9.414 -6.367 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.787 -12.139 -7.634 1.00 0.00 C ATOM 2462 CG ASN A 170 -5.768 -13.116 -8.794 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -6.812 -13.452 -9.353 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -4.578 -13.576 -9.161 1.00 0.00 N ATOM 0 H ASN A 170 -3.577 -10.912 -8.409 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.476 -10.430 -8.740 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -4.980 -12.384 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -6.722 -12.250 -7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -4.503 -14.236 -9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.739 -13.270 -8.669 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.473 -9.349 -6.437 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.376 -8.461 -5.293 1.00 0.00 C ATOM 2473 C GLY A 171 -4.693 -9.162 -3.987 1.00 0.00 C ATOM 2474 O GLY A 171 -4.796 -10.388 -3.941 1.00 0.00 O ATOM 0 H GLY A 171 -3.579 -9.618 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.370 -8.045 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -5.060 -7.624 -5.428 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.847 -8.384 -2.921 1.00 0.00 N ATOM 2479 CA TYR A 172 -5.150 -8.938 -1.607 1.00 0.00 C ATOM 2480 C TYR A 172 -6.404 -8.297 -1.022 1.00 0.00 C ATOM 2481 O TYR A 172 -6.489 -7.076 -0.895 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.968 -8.731 -0.659 1.00 0.00 C ATOM 2483 CG TYR A 172 -4.201 -9.284 0.729 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -3.930 -10.615 1.022 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.693 -8.477 1.747 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -4.142 -11.126 2.288 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -4.906 -8.978 3.016 1.00 0.00 C ATOM 2488 CZ TYR A 172 -4.630 -10.303 3.282 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.842 -10.807 4.545 1.00 0.00 O ATOM 0 H TYR A 172 -4.767 -7.367 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.331 -10.007 -1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -3.084 -9.204 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.755 -7.665 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -3.547 -11.262 0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.913 -7.440 1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -3.927 -12.163 2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -5.287 -8.336 3.796 1.00 0.00 H new ATOM 0 HH TYR A 172 -5.186 -10.098 5.127 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.376 -9.131 -0.666 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.627 -8.646 -0.094 1.00 0.00 C ATOM 2501 C GLU A 173 -8.677 -8.912 1.408 1.00 0.00 C ATOM 2502 O GLU A 173 -8.672 -10.062 1.846 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.820 -9.313 -0.781 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.905 -9.024 -2.270 1.00 0.00 C ATOM 2505 CD GLU A 173 -10.721 -10.058 -3.020 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -10.160 -11.119 -3.366 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -11.920 -9.806 -3.262 1.00 0.00 O ATOM 0 H GLU A 173 -7.322 -10.145 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.678 -7.570 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.758 -10.391 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.739 -8.977 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.347 -8.039 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -8.899 -8.989 -2.687 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.726 -7.840 2.192 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.776 -7.957 3.645 1.00 0.00 C ATOM 2516 C ASN A 174 -9.995 -8.763 4.084 1.00 0.00 C ATOM 2517 O ASN A 174 -11.141 -8.390 3.832 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.811 -6.569 4.288 1.00 0.00 C ATOM 2519 CG ASN A 174 -8.229 -6.566 5.688 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -7.565 -7.518 6.098 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -8.477 -5.492 6.429 1.00 0.00 N ATOM 0 H ASN A 174 -8.732 -6.881 1.846 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.878 -8.480 3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.255 -5.869 3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.841 -6.214 4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -8.112 -5.433 7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -9.033 -4.726 6.047 1.00 0.00 H new