USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 GLN :FLIP amide:sc= -0.724 F(o=-3.2!,f=-1.5) USER MOD Set 1.2: A 163 HIS :FLIP no HE2:sc= -0.819 F(o=-4.1,f=-1.5) USER MOD Set 1.3: A 167 MET CE :methyl -139:sc= 0 (180deg=-0.04) USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= -0.802 USER MOD Set 2.2: A 111 HIS :FLIP no HD1:sc= -2.8 F(o=-4.5!,f=-3.6) USER MOD Set 3.1: A 88 MET CE :methyl -144:sc= -0.08 (180deg=-0.425) USER MOD Set 3.2: A 130 CYS SG : rot 180:sc= -0.664 USER MOD Set 4.1: A 80 CYS SG : rot -177:sc= -0.606 USER MOD Set 4.2: A 101 MET CE :methyl 157:sc= 0 (180deg=-0.208) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.339 X(o=0.34,f=-0.091) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 156:sc= -2.99 (180deg=-5.45!) USER MOD Single : A 36 THR OG1 : rot 140:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.78! C(o=-3.8!,f=-5.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.8) USER MOD Single : A 45 MET CE :methyl 174:sc= -1.31 (180deg=-1.39) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 170:sc= 0.673 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.0296 (180deg=-0.269) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0877 X(o=-0.088,f=-0.55) USER MOD Single : A 58 MET CE :methyl -118:sc= -4.01! (180deg=-6.55!) USER MOD Single : A 59 ASN :FLIP amide:sc= -2.1! C(o=-3.8!,f=-2.1!) USER MOD Single : A 64 THR OG1 : rot -12:sc= 0.771 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+ -97:sc= -0.254 (180deg=-1.7!) USER MOD Single : A 72 ASN : amide:sc= -2.49 K(o=-2.5,f=-3.5!) USER MOD Single : A 86 SER OG : rot -53:sc= 0.026 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -3.46! K(o=-3.5!,f=-5.1) USER MOD Single : A 96 THR OG1 : rot -67:sc= 1 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 36:sc= -0.826 USER MOD Single : A 115 CYS SG : rot 110:sc= -0.939 USER MOD Single : A 118 ASN :FLIP amide:sc= -0.0989 F(o=-0.92,f=-0.099) USER MOD Single : A 121 ASN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 123 SER OG : rot 116:sc= 1.19 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= 0.526 K(o=0.53,f=0) USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 170 ASN : amide:sc= -0.385 X(o=-0.38,f=-0.00066) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -0.593 K(o=-0.59,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.069 0.009 14.207 1.00 0.00 N ATOM 179 CA VAL A 15 6.614 0.408 12.880 1.00 0.00 C ATOM 180 C VAL A 15 7.793 0.639 11.941 1.00 0.00 C ATOM 181 O VAL A 15 8.831 1.157 12.349 1.00 0.00 O ATOM 182 CB VAL A 15 5.762 1.689 12.941 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.561 2.835 13.543 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.251 2.055 11.556 1.00 0.00 C ATOM 0 HA VAL A 15 6.002 -0.409 12.496 1.00 0.00 H new ATOM 0 HB VAL A 15 4.902 1.501 13.583 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.942 3.731 13.578 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.873 2.570 14.553 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.442 3.026 12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.651 2.963 11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.096 2.224 10.889 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.639 1.241 11.167 1.00 0.00 H new ATOM 194 N GLN A 16 7.624 0.250 10.681 1.00 0.00 N ATOM 195 CA GLN A 16 8.674 0.415 9.684 1.00 0.00 C ATOM 196 C GLN A 16 8.270 1.442 8.632 1.00 0.00 C ATOM 197 O GLN A 16 7.192 1.354 8.045 1.00 0.00 O ATOM 198 CB GLN A 16 8.984 -0.925 9.013 1.00 0.00 C ATOM 199 CG GLN A 16 9.424 -2.006 9.987 1.00 0.00 C ATOM 200 CD GLN A 16 9.347 -3.397 9.388 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.370 -4.041 9.153 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.131 -3.868 9.139 1.00 0.00 N ATOM 0 H GLN A 16 6.770 -0.181 10.327 1.00 0.00 H new ATOM 0 HA GLN A 16 9.569 0.775 10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.098 -1.268 8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.767 -0.777 8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.447 -1.808 10.306 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.798 -1.963 10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.311 -3.299 9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.017 -4.798 8.737 1.00 0.00 H new ATOM 211 N LYS A 17 9.142 2.418 8.399 1.00 0.00 N ATOM 212 CA LYS A 17 8.878 3.463 7.418 1.00 0.00 C ATOM 213 C LYS A 17 9.600 3.173 6.106 1.00 0.00 C ATOM 214 O LYS A 17 10.675 2.573 6.097 1.00 0.00 O ATOM 215 CB LYS A 17 9.314 4.825 7.962 1.00 0.00 C ATOM 216 CG LYS A 17 10.821 5.014 7.990 1.00 0.00 C ATOM 217 CD LYS A 17 11.203 6.477 7.839 1.00 0.00 C ATOM 218 CE LYS A 17 11.296 7.171 9.189 1.00 0.00 C ATOM 219 NZ LYS A 17 11.827 8.557 9.064 1.00 0.00 N ATOM 0 H LYS A 17 10.039 2.506 8.877 1.00 0.00 H new ATOM 0 HA LYS A 17 7.805 3.482 7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.869 5.610 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.922 4.946 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.220 4.628 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.276 4.434 7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.160 6.553 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.465 6.985 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.309 7.200 9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.941 6.593 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.875 8.996 10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.779 8.528 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.198 9.116 8.453 1.00 0.00 H new ATOM 233 N PHE A 18 9.003 3.603 4.999 1.00 0.00 N ATOM 234 CA PHE A 18 9.590 3.389 3.682 1.00 0.00 C ATOM 235 C PHE A 18 9.582 4.680 2.868 1.00 0.00 C ATOM 236 O PHE A 18 8.631 5.459 2.928 1.00 0.00 O ATOM 237 CB PHE A 18 8.827 2.295 2.931 1.00 0.00 C ATOM 238 CG PHE A 18 8.858 0.962 3.622 1.00 0.00 C ATOM 239 CD1 PHE A 18 7.895 0.631 4.562 1.00 0.00 C ATOM 240 CD2 PHE A 18 9.849 0.039 3.331 1.00 0.00 C ATOM 241 CE1 PHE A 18 7.921 -0.595 5.199 1.00 0.00 C ATOM 242 CE2 PHE A 18 9.881 -1.189 3.965 1.00 0.00 C ATOM 243 CZ PHE A 18 8.914 -1.506 4.900 1.00 0.00 C ATOM 0 H PHE A 18 8.113 4.102 4.988 1.00 0.00 H new ATOM 0 HA PHE A 18 10.624 3.072 3.819 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.790 2.607 2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.250 2.188 1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 18 7.115 1.339 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.606 0.282 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.165 -0.840 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.660 -1.899 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.935 -2.465 5.396 1.00 0.00 H new ATOM 253 N ARG A 19 10.650 4.899 2.107 1.00 0.00 N ATOM 254 CA ARG A 19 10.768 6.095 1.282 1.00 0.00 C ATOM 255 C ARG A 19 9.958 5.951 -0.003 1.00 0.00 C ATOM 256 O ARG A 19 10.260 5.108 -0.848 1.00 0.00 O ATOM 257 CB ARG A 19 12.236 6.365 0.945 1.00 0.00 C ATOM 258 CG ARG A 19 12.481 7.744 0.354 1.00 0.00 C ATOM 259 CD ARG A 19 12.337 7.735 -1.160 1.00 0.00 C ATOM 260 NE ARG A 19 13.325 6.870 -1.799 1.00 0.00 N ATOM 261 CZ ARG A 19 13.647 6.947 -3.085 1.00 0.00 C ATOM 262 NH1 ARG A 19 13.061 7.845 -3.866 1.00 0.00 N ATOM 263 NH2 ARG A 19 14.556 6.125 -3.593 1.00 0.00 N ATOM 0 H ARG A 19 11.446 4.264 2.045 1.00 0.00 H new ATOM 0 HA ARG A 19 10.371 6.938 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.834 6.255 1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.583 5.610 0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.776 8.456 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.481 8.084 0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.335 7.399 -1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.445 8.751 -1.540 1.00 0.00 H new ATOM 0 HE ARG A 19 13.793 6.168 -1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.361 8.478 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.310 7.902 -4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.008 5.433 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.803 6.185 -4.581 1.00 0.00 H new ATOM 277 N VAL A 20 8.928 6.779 -0.143 1.00 0.00 N ATOM 278 CA VAL A 20 8.075 6.745 -1.325 1.00 0.00 C ATOM 279 C VAL A 20 7.487 8.121 -1.618 1.00 0.00 C ATOM 280 O VAL A 20 7.723 9.077 -0.880 1.00 0.00 O ATOM 281 CB VAL A 20 6.926 5.733 -1.159 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.476 4.327 -0.971 1.00 0.00 C ATOM 283 CG2 VAL A 20 6.035 6.126 0.009 1.00 0.00 C ATOM 0 H VAL A 20 8.664 7.482 0.548 1.00 0.00 H new ATOM 0 HA VAL A 20 8.704 6.436 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 20 6.322 5.743 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.650 3.626 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.069 4.049 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.104 4.298 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.228 5.400 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.624 6.146 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.613 7.114 -0.172 1.00 0.00 H new ATOM 293 N GLN A 21 6.719 8.212 -2.699 1.00 0.00 N ATOM 294 CA GLN A 21 6.097 9.472 -3.090 1.00 0.00 C ATOM 295 C GLN A 21 4.577 9.366 -3.041 1.00 0.00 C ATOM 296 O GLN A 21 4.022 8.269 -2.977 1.00 0.00 O ATOM 297 CB GLN A 21 6.547 9.873 -4.496 1.00 0.00 C ATOM 298 CG GLN A 21 7.962 10.428 -4.547 1.00 0.00 C ATOM 299 CD GLN A 21 8.463 10.619 -5.964 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.386 9.934 -6.407 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.856 11.554 -6.686 1.00 0.00 N ATOM 0 H GLN A 21 6.513 7.429 -3.319 1.00 0.00 H new ATOM 0 HA GLN A 21 6.413 10.239 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.483 9.004 -5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.858 10.620 -4.890 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.993 11.383 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.633 9.752 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.095 12.099 -6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.150 11.727 -7.647 1.00 0.00 H new ATOM 310 N TYR A 22 3.908 10.514 -3.070 1.00 0.00 N ATOM 311 CA TYR A 22 2.451 10.550 -3.026 1.00 0.00 C ATOM 312 C TYR A 22 1.882 11.148 -4.310 1.00 0.00 C ATOM 313 O TYR A 22 2.114 12.317 -4.620 1.00 0.00 O ATOM 314 CB TYR A 22 1.976 11.361 -1.819 1.00 0.00 C ATOM 315 CG TYR A 22 0.472 11.417 -1.681 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.316 10.315 -1.989 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.162 12.573 -1.242 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.691 10.363 -1.865 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.537 12.629 -1.114 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.297 11.522 -1.427 1.00 0.00 C ATOM 321 OH TYR A 22 -3.666 11.573 -1.301 1.00 0.00 O ATOM 0 H TYR A 22 4.351 11.431 -3.124 1.00 0.00 H new ATOM 0 HA TYR A 22 2.090 9.526 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.400 10.929 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.363 12.377 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.155 9.405 -2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.430 13.442 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.289 9.497 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.014 13.535 -0.771 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.932 12.460 -0.980 1.00 0.00 H new ATOM 331 N LEU A 23 1.135 10.337 -5.051 1.00 0.00 N ATOM 332 CA LEU A 23 0.531 10.784 -6.302 1.00 0.00 C ATOM 333 C LEU A 23 -0.750 11.570 -6.037 1.00 0.00 C ATOM 334 O LEU A 23 -1.053 12.535 -6.737 1.00 0.00 O ATOM 335 CB LEU A 23 0.231 9.586 -7.203 1.00 0.00 C ATOM 336 CG LEU A 23 1.437 8.750 -7.633 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.749 7.688 -6.591 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.187 8.111 -8.991 1.00 0.00 C ATOM 0 H LEU A 23 0.933 9.367 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 23 1.241 11.440 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.471 8.934 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.273 9.948 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 23 2.300 9.410 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.610 7.103 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.973 8.168 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.888 7.031 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.056 7.520 -9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.311 7.464 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.014 8.890 -9.733 1.00 0.00 H new ATOM 350 N GLY A 24 -1.497 11.149 -5.021 1.00 0.00 N ATOM 351 CA GLY A 24 -2.735 11.826 -4.680 1.00 0.00 C ATOM 352 C GLY A 24 -3.812 10.865 -4.219 1.00 0.00 C ATOM 353 O GLY A 24 -3.554 9.676 -4.031 1.00 0.00 O ATOM 0 H GLY A 24 -1.267 10.352 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.542 12.555 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.094 12.380 -5.547 1.00 0.00 H new ATOM 357 N MET A 25 -5.023 11.380 -4.036 1.00 0.00 N ATOM 358 CA MET A 25 -6.144 10.559 -3.593 1.00 0.00 C ATOM 359 C MET A 25 -7.223 10.486 -4.668 1.00 0.00 C ATOM 360 O MET A 25 -7.537 11.486 -5.316 1.00 0.00 O ATOM 361 CB MET A 25 -6.735 11.120 -2.298 1.00 0.00 C ATOM 362 CG MET A 25 -7.676 10.157 -1.592 1.00 0.00 C ATOM 363 SD MET A 25 -8.898 11.003 -0.571 1.00 0.00 S ATOM 364 CE MET A 25 -10.152 11.387 -1.791 1.00 0.00 C ATOM 0 H MET A 25 -5.253 12.362 -4.188 1.00 0.00 H new ATOM 0 HA MET A 25 -5.772 9.551 -3.407 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.922 11.382 -1.621 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.273 12.041 -2.523 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.189 9.546 -2.335 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.094 9.478 -0.968 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.977 11.913 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.722 12.018 -2.569 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.521 10.463 -2.237 1.00 0.00 H new ATOM 374 N LEU A 26 -7.788 9.298 -4.855 1.00 0.00 N ATOM 375 CA LEU A 26 -8.832 9.095 -5.852 1.00 0.00 C ATOM 376 C LEU A 26 -9.908 8.149 -5.330 1.00 0.00 C ATOM 377 O LEU A 26 -9.639 7.004 -4.966 1.00 0.00 O ATOM 378 CB LEU A 26 -8.230 8.537 -7.143 1.00 0.00 C ATOM 379 CG LEU A 26 -8.975 8.880 -8.434 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.379 8.295 -8.411 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.026 10.387 -8.637 1.00 0.00 C ATOM 0 H LEU A 26 -7.540 8.460 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.293 10.060 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.206 8.901 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.176 7.452 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.433 8.440 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.894 8.549 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.320 7.211 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.930 8.705 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.560 10.612 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.543 10.850 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.011 10.780 -8.699 1.00 0.00 H new ATOM 393 N PRO A 27 -11.157 8.636 -5.292 1.00 0.00 N ATOM 394 CA PRO A 27 -12.300 7.849 -4.819 1.00 0.00 C ATOM 395 C PRO A 27 -12.664 6.720 -5.777 1.00 0.00 C ATOM 396 O PRO A 27 -12.608 6.885 -6.996 1.00 0.00 O ATOM 397 CB PRO A 27 -13.433 8.876 -4.748 1.00 0.00 C ATOM 398 CG PRO A 27 -13.053 9.928 -5.732 1.00 0.00 C ATOM 399 CD PRO A 27 -11.551 9.992 -5.711 1.00 0.00 C ATOM 0 HA PRO A 27 -12.091 7.358 -3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.392 8.425 -5.001 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.530 9.289 -3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.419 9.681 -6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.488 10.890 -5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.146 10.243 -6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.191 10.748 -5.014 1.00 0.00 H new ATOM 407 N VAL A 28 -13.038 5.573 -5.218 1.00 0.00 N ATOM 408 CA VAL A 28 -13.413 4.417 -6.024 1.00 0.00 C ATOM 409 C VAL A 28 -14.877 4.050 -5.811 1.00 0.00 C ATOM 410 O VAL A 28 -15.478 4.414 -4.799 1.00 0.00 O ATOM 411 CB VAL A 28 -12.535 3.195 -5.694 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.073 3.490 -5.993 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.718 2.785 -4.240 1.00 0.00 C ATOM 0 H VAL A 28 -13.089 5.420 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.260 4.695 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.849 2.363 -6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.469 2.615 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.959 3.731 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.742 4.336 -5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.091 1.920 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.432 3.612 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.763 2.529 -4.063 1.00 0.00 H new ATOM 423 N ASP A 29 -15.445 3.328 -6.769 1.00 0.00 N ATOM 424 CA ASP A 29 -16.840 2.909 -6.686 1.00 0.00 C ATOM 425 C ASP A 29 -16.964 1.572 -5.962 1.00 0.00 C ATOM 426 O ASP A 29 -17.867 1.377 -5.148 1.00 0.00 O ATOM 427 CB ASP A 29 -17.447 2.803 -8.086 1.00 0.00 C ATOM 428 CG ASP A 29 -17.671 4.160 -8.724 1.00 0.00 C ATOM 429 OD1 ASP A 29 -16.967 5.119 -8.342 1.00 0.00 O ATOM 430 OD2 ASP A 29 -18.548 4.263 -9.606 1.00 0.00 O ATOM 0 H ASP A 29 -14.962 3.020 -7.613 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.386 3.662 -6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.788 2.211 -8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.396 2.271 -8.028 1.00 0.00 H new ATOM 435 N ARG A 30 -16.052 0.654 -6.265 1.00 0.00 N ATOM 436 CA ARG A 30 -16.061 -0.665 -5.644 1.00 0.00 C ATOM 437 C ARG A 30 -14.814 -0.872 -4.790 1.00 0.00 C ATOM 438 O ARG A 30 -13.724 -0.398 -5.112 1.00 0.00 O ATOM 439 CB ARG A 30 -16.145 -1.755 -6.715 1.00 0.00 C ATOM 440 CG ARG A 30 -17.565 -2.054 -7.168 1.00 0.00 C ATOM 441 CD ARG A 30 -17.640 -3.365 -7.936 1.00 0.00 C ATOM 442 NE ARG A 30 -19.013 -3.715 -8.287 1.00 0.00 N ATOM 443 CZ ARG A 30 -19.329 -4.686 -9.138 1.00 0.00 C ATOM 444 NH1 ARG A 30 -18.374 -5.398 -9.720 1.00 0.00 N ATOM 445 NH2 ARG A 30 -20.602 -4.945 -9.407 1.00 0.00 N ATOM 0 H ARG A 30 -15.298 0.799 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 30 -16.937 -0.730 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.553 -1.451 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.696 -2.669 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.223 -2.101 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.926 -1.241 -7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.042 -3.288 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.205 -4.163 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 30 -19.771 -3.186 -7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.394 -5.201 -9.515 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.619 -6.143 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -21.339 -4.399 -8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -20.844 -5.690 -10.060 1.00 0.00 H new ATOM 459 N PRO A 31 -14.975 -1.598 -3.673 1.00 0.00 N ATOM 460 CA PRO A 31 -13.874 -1.884 -2.749 1.00 0.00 C ATOM 461 C PRO A 31 -12.853 -2.848 -3.345 1.00 0.00 C ATOM 462 O PRO A 31 -11.653 -2.724 -3.104 1.00 0.00 O ATOM 463 CB PRO A 31 -14.575 -2.523 -1.548 1.00 0.00 C ATOM 464 CG PRO A 31 -15.827 -3.106 -2.107 1.00 0.00 C ATOM 465 CD PRO A 31 -16.245 -2.194 -3.226 1.00 0.00 C ATOM 0 HA PRO A 31 -13.307 -0.987 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.952 -3.290 -1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.792 -1.784 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.657 -4.119 -2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.603 -3.168 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.736 -2.743 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.947 -1.434 -2.884 1.00 0.00 H new ATOM 473 N VAL A 32 -13.339 -3.810 -4.124 1.00 0.00 N ATOM 474 CA VAL A 32 -12.469 -4.794 -4.755 1.00 0.00 C ATOM 475 C VAL A 32 -12.562 -4.716 -6.275 1.00 0.00 C ATOM 476 O VAL A 32 -13.578 -4.292 -6.824 1.00 0.00 O ATOM 477 CB VAL A 32 -12.819 -6.225 -4.303 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.593 -6.383 -2.808 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.255 -6.563 -4.672 1.00 0.00 C ATOM 0 H VAL A 32 -14.330 -3.928 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.451 -4.561 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.161 -6.922 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.845 -7.400 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.547 -6.185 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.225 -5.678 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.485 -7.577 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.931 -5.862 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.379 -6.493 -5.753 1.00 0.00 H new ATOM 489 N GLY A 33 -11.494 -5.129 -6.950 1.00 0.00 N ATOM 490 CA GLY A 33 -11.476 -5.098 -8.401 1.00 0.00 C ATOM 491 C GLY A 33 -10.356 -4.235 -8.949 1.00 0.00 C ATOM 492 O GLY A 33 -10.459 -3.009 -8.962 1.00 0.00 O ATOM 0 H GLY A 33 -10.641 -5.484 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.367 -6.114 -8.782 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.432 -4.722 -8.765 1.00 0.00 H new ATOM 496 N MET A 34 -9.283 -4.877 -9.400 1.00 0.00 N ATOM 497 CA MET A 34 -8.139 -4.159 -9.950 1.00 0.00 C ATOM 498 C MET A 34 -8.596 -3.048 -10.890 1.00 0.00 C ATOM 499 O MET A 34 -8.035 -1.952 -10.889 1.00 0.00 O ATOM 500 CB MET A 34 -7.215 -5.125 -10.694 1.00 0.00 C ATOM 501 CG MET A 34 -6.212 -5.824 -9.791 1.00 0.00 C ATOM 502 SD MET A 34 -4.674 -4.900 -9.614 1.00 0.00 S ATOM 503 CE MET A 34 -5.143 -3.696 -8.375 1.00 0.00 C ATOM 0 H MET A 34 -9.182 -5.892 -9.395 1.00 0.00 H new ATOM 0 HA MET A 34 -7.591 -3.708 -9.123 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.821 -5.876 -11.201 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.676 -4.577 -11.466 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.657 -5.973 -8.807 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.993 -6.813 -10.195 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.253 -3.345 -7.853 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.638 -2.852 -8.856 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.825 -4.156 -7.660 1.00 0.00 H new ATOM 513 N ASP A 35 -9.616 -3.337 -11.690 1.00 0.00 N ATOM 514 CA ASP A 35 -10.148 -2.362 -12.634 1.00 0.00 C ATOM 515 C ASP A 35 -10.521 -1.065 -11.923 1.00 0.00 C ATOM 516 O ASP A 35 -10.336 0.027 -12.462 1.00 0.00 O ATOM 517 CB ASP A 35 -11.370 -2.932 -13.356 1.00 0.00 C ATOM 518 CG ASP A 35 -11.144 -4.349 -13.845 1.00 0.00 C ATOM 519 OD1 ASP A 35 -10.245 -4.550 -14.689 1.00 0.00 O ATOM 520 OD2 ASP A 35 -11.866 -5.258 -13.384 1.00 0.00 O ATOM 0 H ASP A 35 -10.091 -4.239 -11.704 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.372 -2.143 -13.368 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.227 -2.915 -12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.618 -2.293 -14.204 1.00 0.00 H new ATOM 525 N THR A 36 -11.048 -1.191 -10.709 1.00 0.00 N ATOM 526 CA THR A 36 -11.449 -0.030 -9.925 1.00 0.00 C ATOM 527 C THR A 36 -10.244 0.630 -9.265 1.00 0.00 C ATOM 528 O THR A 36 -10.114 1.855 -9.271 1.00 0.00 O ATOM 529 CB THR A 36 -12.470 -0.413 -8.838 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.549 -1.155 -9.418 1.00 0.00 O ATOM 531 CG2 THR A 36 -13.015 0.828 -8.147 1.00 0.00 C ATOM 0 H THR A 36 -11.207 -2.087 -10.247 1.00 0.00 H new ATOM 0 HA THR A 36 -11.912 0.674 -10.616 1.00 0.00 H new ATOM 0 HB THR A 36 -11.963 -1.030 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.805 -1.885 -8.816 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.734 0.533 -7.383 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.195 1.375 -7.681 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.507 1.467 -8.881 1.00 0.00 H new ATOM 539 N LEU A 37 -9.364 -0.187 -8.697 1.00 0.00 N ATOM 540 CA LEU A 37 -8.168 0.318 -8.033 1.00 0.00 C ATOM 541 C LEU A 37 -7.295 1.103 -9.006 1.00 0.00 C ATOM 542 O LEU A 37 -7.009 2.280 -8.788 1.00 0.00 O ATOM 543 CB LEU A 37 -7.367 -0.839 -7.431 1.00 0.00 C ATOM 544 CG LEU A 37 -6.155 -0.448 -6.586 1.00 0.00 C ATOM 545 CD1 LEU A 37 -5.893 -1.493 -5.512 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.927 -0.266 -7.467 1.00 0.00 C ATOM 0 H LEU A 37 -9.457 -1.203 -8.683 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.483 0.989 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.038 -1.436 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.026 -1.480 -8.244 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.369 0.501 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.026 -1.197 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.765 -1.574 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.700 -2.457 -5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.074 0.012 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.710 -1.200 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.117 0.520 -8.198 1.00 0.00 H new ATOM 558 N ASN A 38 -6.877 0.444 -10.082 1.00 0.00 N ATOM 559 CA ASN A 38 -6.038 1.081 -11.091 1.00 0.00 C ATOM 560 C ASN A 38 -6.712 2.330 -11.650 1.00 0.00 C ATOM 561 O ASN A 38 -6.094 3.390 -11.752 1.00 0.00 O ATOM 562 CB ASN A 38 -5.734 0.101 -12.225 1.00 0.00 C ATOM 563 CG ASN A 38 -5.073 -1.171 -11.730 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.930 -1.151 -11.273 1.00 0.00 O ATOM 565 ND2 ASN A 38 -5.791 -2.284 -11.818 1.00 0.00 N ATOM 0 H ASN A 38 -7.105 -0.531 -10.278 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.103 1.377 -10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.660 -0.152 -12.741 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.084 0.584 -12.955 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.399 -3.170 -11.500 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.735 -2.253 -12.204 1.00 0.00 H new ATOM 572 N SER A 39 -7.985 2.198 -12.009 1.00 0.00 N ATOM 573 CA SER A 39 -8.744 3.315 -12.560 1.00 0.00 C ATOM 574 C SER A 39 -8.400 4.614 -11.839 1.00 0.00 C ATOM 575 O SER A 39 -8.494 5.699 -12.412 1.00 0.00 O ATOM 576 CB SER A 39 -10.245 3.041 -12.454 1.00 0.00 C ATOM 577 OG SER A 39 -11.000 4.158 -12.892 1.00 0.00 O ATOM 0 H SER A 39 -8.513 1.329 -11.928 1.00 0.00 H new ATOM 0 HA SER A 39 -8.475 3.421 -13.611 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.501 2.167 -13.053 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.503 2.806 -11.421 1.00 0.00 H new ATOM 0 HG SER A 39 -11.956 3.957 -12.816 1.00 0.00 H new ATOM 583 N ALA A 40 -8.000 4.495 -10.577 1.00 0.00 N ATOM 584 CA ALA A 40 -7.640 5.659 -9.777 1.00 0.00 C ATOM 585 C ALA A 40 -6.205 6.094 -10.055 1.00 0.00 C ATOM 586 O ALA A 40 -5.917 7.286 -10.160 1.00 0.00 O ATOM 587 CB ALA A 40 -7.824 5.359 -8.297 1.00 0.00 C ATOM 0 H ALA A 40 -7.917 3.604 -10.087 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.301 6.479 -10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.552 6.237 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.866 5.103 -8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.187 4.522 -8.014 1.00 0.00 H new ATOM 593 N ILE A 41 -5.309 5.120 -10.173 1.00 0.00 N ATOM 594 CA ILE A 41 -3.904 5.403 -10.440 1.00 0.00 C ATOM 595 C ILE A 41 -3.752 6.426 -11.561 1.00 0.00 C ATOM 596 O ILE A 41 -3.190 7.502 -11.359 1.00 0.00 O ATOM 597 CB ILE A 41 -3.134 4.124 -10.820 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.246 3.085 -9.703 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.675 4.449 -11.105 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.636 1.747 -10.060 1.00 0.00 C ATOM 0 H ILE A 41 -5.531 4.128 -10.088 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.484 5.810 -9.520 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.576 3.706 -11.725 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.758 3.471 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.298 2.941 -9.455 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.144 3.535 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.615 5.158 -11.931 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.220 4.887 -10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.751 1.059 -9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.140 1.339 -10.936 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.576 1.877 -10.279 1.00 0.00 H new ATOM 612 N GLU A 42 -4.259 6.083 -12.741 1.00 0.00 N ATOM 613 CA GLU A 42 -4.181 6.973 -13.893 1.00 0.00 C ATOM 614 C GLU A 42 -4.799 8.331 -13.574 1.00 0.00 C ATOM 615 O GLU A 42 -4.180 9.372 -13.788 1.00 0.00 O ATOM 616 CB GLU A 42 -4.889 6.348 -15.097 1.00 0.00 C ATOM 617 CG GLU A 42 -3.988 5.462 -15.940 1.00 0.00 C ATOM 618 CD GLU A 42 -3.149 6.252 -16.926 1.00 0.00 C ATOM 619 OE1 GLU A 42 -3.635 7.289 -17.422 1.00 0.00 O ATOM 620 OE2 GLU A 42 -2.005 5.832 -17.200 1.00 0.00 O ATOM 0 H GLU A 42 -4.728 5.196 -12.924 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.129 7.120 -14.136 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.736 5.760 -14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.292 7.143 -15.724 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.330 4.891 -15.285 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.599 4.742 -16.484 1.00 0.00 H new ATOM 627 N ASN A 43 -6.025 8.311 -13.062 1.00 0.00 N ATOM 628 CA ASN A 43 -6.729 9.541 -12.715 1.00 0.00 C ATOM 629 C ASN A 43 -5.788 10.533 -12.037 1.00 0.00 C ATOM 630 O ASN A 43 -5.869 11.740 -12.269 1.00 0.00 O ATOM 631 CB ASN A 43 -7.913 9.233 -11.795 1.00 0.00 C ATOM 632 CG ASN A 43 -9.188 8.956 -12.568 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.526 9.676 -13.507 1.00 0.00 O ATOM 634 ND2 ASN A 43 -9.902 7.908 -12.174 1.00 0.00 N ATOM 0 H ASN A 43 -6.552 7.457 -12.878 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.100 9.991 -13.636 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.673 8.370 -11.174 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.075 10.075 -11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.770 7.672 -12.655 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.583 7.339 -11.390 1.00 0.00 H new ATOM 641 N LEU A 44 -4.897 10.016 -11.199 1.00 0.00 N ATOM 642 CA LEU A 44 -3.939 10.855 -10.487 1.00 0.00 C ATOM 643 C LEU A 44 -2.727 11.160 -11.361 1.00 0.00 C ATOM 644 O LEU A 44 -2.373 12.320 -11.566 1.00 0.00 O ATOM 645 CB LEU A 44 -3.492 10.170 -9.195 1.00 0.00 C ATOM 646 CG LEU A 44 -4.608 9.746 -8.239 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.153 8.583 -7.370 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.045 10.920 -7.375 1.00 0.00 C ATOM 0 H LEU A 44 -4.818 9.020 -10.996 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.431 11.796 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.911 9.286 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.822 10.845 -8.663 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.463 9.418 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.960 8.295 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.890 7.736 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.283 8.884 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.840 10.600 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.197 11.278 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.412 11.724 -8.013 1.00 0.00 H new ATOM 660 N MET A 45 -2.096 10.109 -11.874 1.00 0.00 N ATOM 661 CA MET A 45 -0.925 10.265 -12.730 1.00 0.00 C ATOM 662 C MET A 45 -1.166 11.330 -13.794 1.00 0.00 C ATOM 663 O MET A 45 -0.254 12.067 -14.169 1.00 0.00 O ATOM 664 CB MET A 45 -0.572 8.933 -13.395 1.00 0.00 C ATOM 665 CG MET A 45 -0.121 7.864 -12.413 1.00 0.00 C ATOM 666 SD MET A 45 0.960 6.636 -13.172 1.00 0.00 S ATOM 667 CE MET A 45 1.924 6.113 -11.756 1.00 0.00 C ATOM 0 H MET A 45 -2.375 9.141 -11.712 1.00 0.00 H new ATOM 0 HA MET A 45 -0.090 10.584 -12.106 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.441 8.568 -13.943 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.219 9.100 -14.126 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.401 8.337 -11.581 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.996 7.365 -11.998 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.566 5.279 -12.041 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.540 6.943 -11.409 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.254 5.799 -10.956 1.00 0.00 H new ATOM 677 N THR A 46 -2.402 11.406 -14.279 1.00 0.00 N ATOM 678 CA THR A 46 -2.763 12.380 -15.301 1.00 0.00 C ATOM 679 C THR A 46 -2.671 13.803 -14.762 1.00 0.00 C ATOM 680 O THR A 46 -2.006 14.657 -15.348 1.00 0.00 O ATOM 681 CB THR A 46 -4.188 12.136 -15.832 1.00 0.00 C ATOM 682 OG1 THR A 46 -5.102 11.998 -14.738 1.00 0.00 O ATOM 683 CG2 THR A 46 -4.236 10.886 -16.699 1.00 0.00 C ATOM 0 H THR A 46 -3.169 10.804 -13.980 1.00 0.00 H new ATOM 0 HA THR A 46 -2.053 12.257 -16.119 1.00 0.00 H new ATOM 0 HB THR A 46 -4.476 12.993 -16.440 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.006 11.844 -15.084 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.252 10.734 -17.063 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.561 11.005 -17.547 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.929 10.022 -16.109 1.00 0.00 H new ATOM 691 N SER A 47 -3.343 14.051 -13.642 1.00 0.00 N ATOM 692 CA SER A 47 -3.339 15.372 -13.025 1.00 0.00 C ATOM 693 C SER A 47 -1.934 15.756 -12.570 1.00 0.00 C ATOM 694 O SER A 47 -1.353 16.723 -13.061 1.00 0.00 O ATOM 695 CB SER A 47 -4.300 15.406 -11.835 1.00 0.00 C ATOM 696 OG SER A 47 -4.237 16.652 -11.164 1.00 0.00 O ATOM 0 H SER A 47 -3.897 13.354 -13.144 1.00 0.00 H new ATOM 0 HA SER A 47 -3.670 16.094 -13.771 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.318 15.227 -12.181 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.053 14.603 -11.141 1.00 0.00 H new ATOM 0 HG SER A 47 -4.862 16.649 -10.409 1.00 0.00 H new ATOM 702 N SER A 48 -1.395 14.989 -11.628 1.00 0.00 N ATOM 703 CA SER A 48 -0.060 15.249 -11.102 1.00 0.00 C ATOM 704 C SER A 48 0.982 14.394 -11.817 1.00 0.00 C ATOM 705 O SER A 48 0.726 13.238 -12.155 1.00 0.00 O ATOM 706 CB SER A 48 -0.018 14.972 -9.598 1.00 0.00 C ATOM 707 OG SER A 48 -0.881 13.902 -9.252 1.00 0.00 O ATOM 0 H SER A 48 -1.862 14.183 -11.213 1.00 0.00 H new ATOM 0 HA SER A 48 0.174 16.299 -11.278 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.002 14.732 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.309 15.869 -9.052 1.00 0.00 H new ATOM 0 HG SER A 48 -0.715 13.635 -8.324 1.00 0.00 H new ATOM 713 N SER A 49 2.157 14.971 -12.045 1.00 0.00 N ATOM 714 CA SER A 49 3.237 14.264 -12.723 1.00 0.00 C ATOM 715 C SER A 49 4.209 13.660 -11.714 1.00 0.00 C ATOM 716 O SER A 49 4.201 14.016 -10.536 1.00 0.00 O ATOM 717 CB SER A 49 3.984 15.213 -13.663 1.00 0.00 C ATOM 718 OG SER A 49 3.349 15.282 -14.928 1.00 0.00 O ATOM 0 H SER A 49 2.386 15.926 -11.770 1.00 0.00 H new ATOM 0 HA SER A 49 2.798 13.455 -13.307 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.029 16.208 -13.220 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.012 14.873 -13.787 1.00 0.00 H new ATOM 0 HG SER A 49 3.844 15.896 -15.510 1.00 0.00 H new ATOM 724 N LYS A 50 5.047 12.743 -12.186 1.00 0.00 N ATOM 725 CA LYS A 50 6.027 12.088 -11.328 1.00 0.00 C ATOM 726 C LYS A 50 6.677 13.092 -10.380 1.00 0.00 C ATOM 727 O LYS A 50 6.788 12.843 -9.180 1.00 0.00 O ATOM 728 CB LYS A 50 7.101 11.403 -12.176 1.00 0.00 C ATOM 729 CG LYS A 50 8.169 10.701 -11.354 1.00 0.00 C ATOM 730 CD LYS A 50 8.827 9.578 -12.138 1.00 0.00 C ATOM 731 CE LYS A 50 10.133 9.139 -11.493 1.00 0.00 C ATOM 732 NZ LYS A 50 11.194 10.175 -11.630 1.00 0.00 N ATOM 0 H LYS A 50 5.067 12.437 -13.159 1.00 0.00 H new ATOM 0 HA LYS A 50 5.508 11.336 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.624 10.676 -12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.577 12.147 -12.815 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.925 11.423 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.723 10.298 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.147 8.729 -12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.017 9.909 -13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.964 8.929 -10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.471 8.210 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.125 9.742 -11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.165 10.577 -12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.034 10.930 -10.933 1.00 0.00 H new ATOM 746 N GLU A 51 7.103 14.226 -10.927 1.00 0.00 N ATOM 747 CA GLU A 51 7.741 15.266 -10.129 1.00 0.00 C ATOM 748 C GLU A 51 6.729 15.943 -9.209 1.00 0.00 C ATOM 749 O GLU A 51 7.065 16.362 -8.101 1.00 0.00 O ATOM 750 CB GLU A 51 8.397 16.308 -11.038 1.00 0.00 C ATOM 751 CG GLU A 51 7.426 16.975 -11.997 1.00 0.00 C ATOM 752 CD GLU A 51 7.972 18.267 -12.575 1.00 0.00 C ATOM 753 OE1 GLU A 51 8.337 19.162 -11.784 1.00 0.00 O ATOM 754 OE2 GLU A 51 8.034 18.383 -13.816 1.00 0.00 O ATOM 0 H GLU A 51 7.018 14.448 -11.919 1.00 0.00 H new ATOM 0 HA GLU A 51 8.509 14.796 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.867 17.073 -10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.191 15.829 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.194 16.287 -12.810 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.491 17.181 -11.477 1.00 0.00 H new ATOM 761 N ASP A 52 5.490 16.046 -9.676 1.00 0.00 N ATOM 762 CA ASP A 52 4.428 16.671 -8.896 1.00 0.00 C ATOM 763 C ASP A 52 4.228 15.943 -7.570 1.00 0.00 C ATOM 764 O ASP A 52 3.822 16.545 -6.576 1.00 0.00 O ATOM 765 CB ASP A 52 3.121 16.680 -9.690 1.00 0.00 C ATOM 766 CG ASP A 52 2.041 17.504 -9.017 1.00 0.00 C ATOM 767 OD1 ASP A 52 1.452 17.017 -8.028 1.00 0.00 O ATOM 768 OD2 ASP A 52 1.785 18.636 -9.478 1.00 0.00 O ATOM 0 H ASP A 52 5.196 15.705 -10.591 1.00 0.00 H new ATOM 0 HA ASP A 52 4.722 17.699 -8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.308 17.077 -10.688 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.768 15.656 -9.815 1.00 0.00 H new ATOM 773 N TRP A 53 4.514 14.646 -7.564 1.00 0.00 N ATOM 774 CA TRP A 53 4.364 13.837 -6.360 1.00 0.00 C ATOM 775 C TRP A 53 5.515 14.082 -5.392 1.00 0.00 C ATOM 776 O TRP A 53 6.672 13.765 -5.671 1.00 0.00 O ATOM 777 CB TRP A 53 4.295 12.353 -6.724 1.00 0.00 C ATOM 778 CG TRP A 53 3.523 12.085 -7.981 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.461 12.798 -8.459 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.753 11.027 -8.919 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.017 12.248 -9.637 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.794 11.161 -9.941 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.678 9.982 -8.995 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.733 10.288 -11.024 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.616 9.116 -10.070 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.650 9.273 -11.073 1.00 0.00 C ATOM 0 H TRP A 53 4.851 14.132 -8.378 1.00 0.00 H new ATOM 0 HA TRP A 53 3.435 14.128 -5.870 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.308 11.967 -6.839 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.837 11.805 -5.901 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.033 13.667 -7.981 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.236 12.593 -10.195 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.427 9.854 -8.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.989 10.407 -11.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.325 8.304 -10.138 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.629 8.580 -11.901 1.00 0.00 H new ATOM 797 N PRO A 54 5.195 14.661 -4.224 1.00 0.00 N ATOM 798 CA PRO A 54 6.191 14.961 -3.191 1.00 0.00 C ATOM 799 C PRO A 54 6.736 13.700 -2.528 1.00 0.00 C ATOM 800 O PRO A 54 6.123 12.635 -2.599 1.00 0.00 O ATOM 801 CB PRO A 54 5.408 15.801 -2.178 1.00 0.00 C ATOM 802 CG PRO A 54 3.988 15.391 -2.364 1.00 0.00 C ATOM 803 CD PRO A 54 3.838 15.066 -3.824 1.00 0.00 C ATOM 0 HA PRO A 54 7.065 15.467 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.745 15.609 -1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.540 16.867 -2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.747 14.527 -1.745 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.309 16.192 -2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.116 14.266 -3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.491 15.928 -4.394 1.00 0.00 H new ATOM 811 N SER A 55 7.892 13.829 -1.885 1.00 0.00 N ATOM 812 CA SER A 55 8.522 12.699 -1.212 1.00 0.00 C ATOM 813 C SER A 55 8.082 12.620 0.246 1.00 0.00 C ATOM 814 O SER A 55 8.253 13.570 1.011 1.00 0.00 O ATOM 815 CB SER A 55 10.046 12.816 -1.291 1.00 0.00 C ATOM 816 OG SER A 55 10.511 12.546 -2.602 1.00 0.00 O ATOM 0 H SER A 55 8.411 14.704 -1.816 1.00 0.00 H new ATOM 0 HA SER A 55 8.208 11.786 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.353 13.818 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.504 12.120 -0.589 1.00 0.00 H new ATOM 0 HG SER A 55 11.487 12.629 -2.626 1.00 0.00 H new ATOM 822 N VAL A 56 7.513 11.480 0.626 1.00 0.00 N ATOM 823 CA VAL A 56 7.048 11.275 1.992 1.00 0.00 C ATOM 824 C VAL A 56 7.432 9.890 2.502 1.00 0.00 C ATOM 825 O VAL A 56 7.813 9.016 1.725 1.00 0.00 O ATOM 826 CB VAL A 56 5.520 11.443 2.097 1.00 0.00 C ATOM 827 CG1 VAL A 56 5.104 12.836 1.649 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.811 10.376 1.276 1.00 0.00 C ATOM 0 H VAL A 56 7.363 10.684 0.006 1.00 0.00 H new ATOM 0 HA VAL A 56 7.532 12.033 2.607 1.00 0.00 H new ATOM 0 HB VAL A 56 5.228 11.321 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.022 12.936 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.586 13.581 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.406 12.990 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.732 10.509 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.107 10.465 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.085 9.389 1.648 1.00 0.00 H new ATOM 838 N ASN A 57 7.329 9.699 3.813 1.00 0.00 N ATOM 839 CA ASN A 57 7.666 8.419 4.427 1.00 0.00 C ATOM 840 C ASN A 57 6.406 7.619 4.742 1.00 0.00 C ATOM 841 O ASN A 57 5.508 8.102 5.431 1.00 0.00 O ATOM 842 CB ASN A 57 8.476 8.642 5.706 1.00 0.00 C ATOM 843 CG ASN A 57 9.436 9.809 5.586 1.00 0.00 C ATOM 844 OD1 ASN A 57 10.016 10.044 4.526 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.609 10.547 6.676 1.00 0.00 N ATOM 0 H ASN A 57 7.015 10.413 4.470 1.00 0.00 H new ATOM 0 HA ASN A 57 8.268 7.850 3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.795 8.820 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.036 7.737 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.243 11.345 6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.107 10.316 7.533 1.00 0.00 H new ATOM 852 N MET A 58 6.348 6.392 4.234 1.00 0.00 N ATOM 853 CA MET A 58 5.199 5.524 4.463 1.00 0.00 C ATOM 854 C MET A 58 5.401 4.673 5.713 1.00 0.00 C ATOM 855 O MET A 58 6.118 3.674 5.685 1.00 0.00 O ATOM 856 CB MET A 58 4.965 4.621 3.250 1.00 0.00 C ATOM 857 CG MET A 58 3.859 3.599 3.458 1.00 0.00 C ATOM 858 SD MET A 58 3.307 2.850 1.913 1.00 0.00 S ATOM 859 CE MET A 58 2.882 4.307 0.963 1.00 0.00 C ATOM 0 H MET A 58 7.083 5.977 3.661 1.00 0.00 H new ATOM 0 HA MET A 58 4.323 6.155 4.612 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.718 5.241 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.892 4.098 3.012 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.213 2.817 4.130 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.012 4.080 3.947 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.820 4.286 0.720 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.102 5.200 1.548 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.465 4.324 0.042 1.00 0.00 H new ATOM 869 N ASN A 59 4.765 5.077 6.808 1.00 0.00 N ATOM 870 CA ASN A 59 4.876 4.352 8.068 1.00 0.00 C ATOM 871 C ASN A 59 3.861 3.215 8.133 1.00 0.00 C ATOM 872 O ASN A 59 2.665 3.445 8.314 1.00 0.00 O ATOM 873 CB ASN A 59 4.669 5.304 9.248 1.00 0.00 C ATOM 874 CG ASN A 59 5.690 6.425 9.273 1.00 0.00 C ATOM 875 OD1 ASN A 59 5.539 7.382 8.364 1.00 0.00 O flip ATOM 876 ND2 ASN A 59 6.602 6.431 10.098 1.00 0.00 N flip ATOM 0 H ASN A 59 4.167 5.903 6.848 1.00 0.00 H new ATOM 0 HA ASN A 59 5.877 3.925 8.126 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.667 5.730 9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.728 4.741 10.180 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.679 5.675 10.778 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.281 7.192 10.102 1.00 0.00 H new ATOM 883 N VAL A 60 4.346 1.987 7.984 1.00 0.00 N ATOM 884 CA VAL A 60 3.482 0.813 8.027 1.00 0.00 C ATOM 885 C VAL A 60 3.674 0.038 9.326 1.00 0.00 C ATOM 886 O VAL A 60 4.628 -0.725 9.471 1.00 0.00 O ATOM 887 CB VAL A 60 3.752 -0.127 6.837 1.00 0.00 C ATOM 888 CG1 VAL A 60 2.874 -1.365 6.924 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.528 0.604 5.521 1.00 0.00 C ATOM 0 H VAL A 60 5.333 1.779 7.832 1.00 0.00 H new ATOM 0 HA VAL A 60 2.455 1.173 7.970 1.00 0.00 H new ATOM 0 HB VAL A 60 4.793 -0.447 6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.079 -2.017 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.087 -1.898 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.825 -1.069 6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.723 -0.074 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.497 0.953 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.204 1.457 5.459 1.00 0.00 H new ATOM 899 N ALA A 61 2.758 0.238 10.268 1.00 0.00 N ATOM 900 CA ALA A 61 2.824 -0.445 11.554 1.00 0.00 C ATOM 901 C ALA A 61 2.296 -1.871 11.447 1.00 0.00 C ATOM 902 O ALA A 61 1.849 -2.299 10.383 1.00 0.00 O ATOM 903 CB ALA A 61 2.043 0.331 12.604 1.00 0.00 C ATOM 0 H ALA A 61 1.962 0.867 10.165 1.00 0.00 H new ATOM 0 HA ALA A 61 3.870 -0.495 11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.101 -0.190 13.559 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.468 1.329 12.709 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.000 0.411 12.297 1.00 0.00 H new ATOM 909 N ASP A 62 2.352 -2.603 12.554 1.00 0.00 N ATOM 910 CA ASP A 62 1.879 -3.982 12.584 1.00 0.00 C ATOM 911 C ASP A 62 0.502 -4.098 11.939 1.00 0.00 C ATOM 912 O ASP A 62 0.317 -4.843 10.977 1.00 0.00 O ATOM 913 CB ASP A 62 1.826 -4.494 14.024 1.00 0.00 C ATOM 914 CG ASP A 62 1.276 -5.904 14.118 1.00 0.00 C ATOM 915 OD1 ASP A 62 0.087 -6.099 13.789 1.00 0.00 O ATOM 916 OD2 ASP A 62 2.034 -6.811 14.520 1.00 0.00 O ATOM 0 H ASP A 62 2.720 -2.264 13.443 1.00 0.00 H new ATOM 0 HA ASP A 62 2.580 -4.593 12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.828 -4.469 14.452 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.207 -3.825 14.622 1.00 0.00 H new ATOM 921 N ALA A 63 -0.462 -3.357 12.476 1.00 0.00 N ATOM 922 CA ALA A 63 -1.822 -3.377 11.952 1.00 0.00 C ATOM 923 C ALA A 63 -2.313 -1.966 11.645 1.00 0.00 C ATOM 924 O ALA A 63 -3.464 -1.624 11.917 1.00 0.00 O ATOM 925 CB ALA A 63 -2.758 -4.060 12.938 1.00 0.00 C ATOM 0 H ALA A 63 -0.326 -2.736 13.273 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.817 -3.943 11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.770 -4.068 12.533 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.426 -5.085 13.105 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.749 -3.518 13.883 1.00 0.00 H new ATOM 931 N THR A 64 -1.431 -1.148 11.078 1.00 0.00 N ATOM 932 CA THR A 64 -1.774 0.227 10.736 1.00 0.00 C ATOM 933 C THR A 64 -0.845 0.773 9.657 1.00 0.00 C ATOM 934 O THR A 64 0.321 0.387 9.574 1.00 0.00 O ATOM 935 CB THR A 64 -1.705 1.146 11.970 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.605 0.678 12.981 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.054 2.579 11.597 1.00 0.00 C ATOM 0 H THR A 64 -0.474 -1.414 10.846 1.00 0.00 H new ATOM 0 HA THR A 64 -2.796 0.214 10.359 1.00 0.00 H new ATOM 0 HB THR A 64 -0.685 1.125 12.355 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.200 -0.001 12.600 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.999 3.210 12.484 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.349 2.942 10.849 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.065 2.613 11.190 1.00 0.00 H new ATOM 945 N VAL A 65 -1.370 1.674 8.832 1.00 0.00 N ATOM 946 CA VAL A 65 -0.587 2.274 7.759 1.00 0.00 C ATOM 947 C VAL A 65 -0.792 3.784 7.708 1.00 0.00 C ATOM 948 O VAL A 65 -1.780 4.270 7.157 1.00 0.00 O ATOM 949 CB VAL A 65 -0.955 1.671 6.391 1.00 0.00 C ATOM 950 CG1 VAL A 65 -0.194 2.372 5.276 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.679 0.175 6.377 1.00 0.00 C ATOM 0 H VAL A 65 -2.334 2.004 8.887 1.00 0.00 H new ATOM 0 HA VAL A 65 0.460 2.059 7.973 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.021 1.823 6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.467 1.932 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.446 3.432 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.878 2.254 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.945 -0.235 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.379 -0.002 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.274 -0.312 7.150 1.00 0.00 H new ATOM 961 N THR A 66 0.149 4.524 8.287 1.00 0.00 N ATOM 962 CA THR A 66 0.072 5.979 8.309 1.00 0.00 C ATOM 963 C THR A 66 1.063 6.596 7.329 1.00 0.00 C ATOM 964 O THR A 66 2.113 6.020 7.046 1.00 0.00 O ATOM 965 CB THR A 66 0.348 6.535 9.719 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.506 5.894 10.674 1.00 0.00 O ATOM 967 CG2 THR A 66 0.125 8.039 9.761 1.00 0.00 C ATOM 0 H THR A 66 0.974 4.139 8.747 1.00 0.00 H new ATOM 0 HA THR A 66 -0.942 6.247 8.013 1.00 0.00 H new ATOM 0 HB THR A 66 1.389 6.331 9.969 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.323 6.252 11.568 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.326 8.409 10.767 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.797 8.526 9.054 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.908 8.261 9.492 1.00 0.00 H new ATOM 975 N VAL A 67 0.723 7.774 6.814 1.00 0.00 N ATOM 976 CA VAL A 67 1.584 8.471 5.866 1.00 0.00 C ATOM 977 C VAL A 67 2.116 9.771 6.460 1.00 0.00 C ATOM 978 O VAL A 67 1.350 10.686 6.761 1.00 0.00 O ATOM 979 CB VAL A 67 0.838 8.786 4.556 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.712 9.619 3.631 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.398 7.500 3.873 1.00 0.00 C ATOM 0 H VAL A 67 -0.143 8.265 7.038 1.00 0.00 H new ATOM 0 HA VAL A 67 2.419 7.805 5.649 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.053 9.367 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.168 9.832 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.973 10.556 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.622 9.067 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.128 7.740 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.273 6.891 3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.267 6.946 4.535 1.00 0.00 H new ATOM 991 N ILE A 68 3.433 9.844 6.626 1.00 0.00 N ATOM 992 CA ILE A 68 4.067 11.032 7.182 1.00 0.00 C ATOM 993 C ILE A 68 4.966 11.708 6.153 1.00 0.00 C ATOM 994 O ILE A 68 5.553 11.047 5.297 1.00 0.00 O ATOM 995 CB ILE A 68 4.901 10.693 8.432 1.00 0.00 C ATOM 996 CG1 ILE A 68 4.014 10.065 9.509 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.589 11.940 8.965 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.793 9.437 10.643 1.00 0.00 C ATOM 0 H ILE A 68 4.081 9.094 6.383 1.00 0.00 H new ATOM 0 HA ILE A 68 3.265 11.714 7.464 1.00 0.00 H new ATOM 0 HB ILE A 68 5.668 9.971 8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.351 10.830 9.914 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.381 9.306 9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.174 11.683 9.848 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.248 12.347 8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.838 12.684 9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.100 9.012 11.369 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.436 8.649 10.250 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.406 10.197 11.128 1.00 0.00 H new ATOM 1010 N SER A 69 5.071 13.030 6.244 1.00 0.00 N ATOM 1011 CA SER A 69 5.897 13.797 5.319 1.00 0.00 C ATOM 1012 C SER A 69 7.380 13.558 5.589 1.00 0.00 C ATOM 1013 O SER A 69 7.749 12.971 6.606 1.00 0.00 O ATOM 1014 CB SER A 69 5.580 15.289 5.436 1.00 0.00 C ATOM 1015 OG SER A 69 5.957 15.984 4.260 1.00 0.00 O ATOM 0 H SER A 69 4.594 13.592 6.949 1.00 0.00 H new ATOM 0 HA SER A 69 5.671 13.463 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.514 15.424 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.104 15.709 6.294 1.00 0.00 H new ATOM 0 HG SER A 69 5.743 16.935 4.359 1.00 0.00 H new ATOM 1021 N GLU A 70 8.224 14.017 4.671 1.00 0.00 N ATOM 1022 CA GLU A 70 9.666 13.853 4.809 1.00 0.00 C ATOM 1023 C GLU A 70 10.262 14.969 5.661 1.00 0.00 C ATOM 1024 O GLU A 70 11.148 14.734 6.483 1.00 0.00 O ATOM 1025 CB GLU A 70 10.334 13.835 3.433 1.00 0.00 C ATOM 1026 CG GLU A 70 11.846 13.691 3.491 1.00 0.00 C ATOM 1027 CD GLU A 70 12.554 15.025 3.629 1.00 0.00 C ATOM 1028 OE1 GLU A 70 12.303 15.918 2.793 1.00 0.00 O ATOM 1029 OE2 GLU A 70 13.358 15.175 4.572 1.00 0.00 O ATOM 0 H GLU A 70 7.934 14.505 3.824 1.00 0.00 H new ATOM 0 HA GLU A 70 9.851 12.901 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.921 13.012 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.085 14.756 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.114 13.053 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.195 13.191 2.588 1.00 0.00 H new ATOM 1036 N LYS A 71 9.770 16.187 5.459 1.00 0.00 N ATOM 1037 CA LYS A 71 10.251 17.342 6.207 1.00 0.00 C ATOM 1038 C LYS A 71 9.788 17.281 7.659 1.00 0.00 C ATOM 1039 O LYS A 71 10.566 17.526 8.580 1.00 0.00 O ATOM 1040 CB LYS A 71 9.760 18.637 5.558 1.00 0.00 C ATOM 1041 CG LYS A 71 8.247 18.741 5.476 1.00 0.00 C ATOM 1042 CD LYS A 71 7.808 20.099 4.954 1.00 0.00 C ATOM 1043 CE LYS A 71 7.794 21.143 6.060 1.00 0.00 C ATOM 1044 NZ LYS A 71 9.111 21.825 6.196 1.00 0.00 N ATOM 0 H LYS A 71 9.037 16.399 4.782 1.00 0.00 H new ATOM 0 HA LYS A 71 11.341 17.326 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.144 19.486 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.176 18.710 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.863 17.958 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.816 18.573 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.481 20.419 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.813 20.018 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.022 21.883 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.532 20.667 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.658 21.375 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.636 21.748 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.960 22.828 6.424 1.00 0.00 H new ATOM 1058 N ASN A 72 8.515 16.951 7.856 1.00 0.00 N ATOM 1059 CA ASN A 72 7.949 16.857 9.197 1.00 0.00 C ATOM 1060 C ASN A 72 7.734 15.400 9.595 1.00 0.00 C ATOM 1061 O ASN A 72 7.774 14.504 8.753 1.00 0.00 O ATOM 1062 CB ASN A 72 6.623 17.617 9.267 1.00 0.00 C ATOM 1063 CG ASN A 72 6.762 19.063 8.833 1.00 0.00 C ATOM 1064 OD1 ASN A 72 7.814 19.678 9.011 1.00 0.00 O ATOM 1065 ND2 ASN A 72 5.698 19.614 8.261 1.00 0.00 N ATOM 0 H ASN A 72 7.857 16.744 7.105 1.00 0.00 H new ATOM 0 HA ASN A 72 8.655 17.306 9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.888 17.119 8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.241 17.582 10.287 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.732 20.585 7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.847 19.067 8.134 1.00 0.00 H new ATOM 1072 N GLU A 73 7.506 15.172 10.885 1.00 0.00 N ATOM 1073 CA GLU A 73 7.285 13.824 11.395 1.00 0.00 C ATOM 1074 C GLU A 73 5.850 13.656 11.885 1.00 0.00 C ATOM 1075 O GLU A 73 5.229 12.615 11.671 1.00 0.00 O ATOM 1076 CB GLU A 73 8.263 13.518 12.532 1.00 0.00 C ATOM 1077 CG GLU A 73 8.094 14.425 13.739 1.00 0.00 C ATOM 1078 CD GLU A 73 7.064 13.902 14.722 1.00 0.00 C ATOM 1079 OE1 GLU A 73 6.820 12.678 14.729 1.00 0.00 O ATOM 1080 OE2 GLU A 73 6.503 14.717 15.483 1.00 0.00 O ATOM 0 H GLU A 73 7.470 15.903 11.595 1.00 0.00 H new ATOM 0 HA GLU A 73 7.456 13.122 10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.131 12.482 12.845 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.283 13.611 12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.053 14.532 14.246 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.799 15.419 13.403 1.00 0.00 H new ATOM 1087 N GLU A 74 5.330 14.687 12.543 1.00 0.00 N ATOM 1088 CA GLU A 74 3.969 14.653 13.064 1.00 0.00 C ATOM 1089 C GLU A 74 2.950 14.753 11.932 1.00 0.00 C ATOM 1090 O GLU A 74 1.878 14.153 11.995 1.00 0.00 O ATOM 1091 CB GLU A 74 3.752 15.793 14.062 1.00 0.00 C ATOM 1092 CG GLU A 74 3.857 17.175 13.439 1.00 0.00 C ATOM 1093 CD GLU A 74 2.552 17.636 12.820 1.00 0.00 C ATOM 1094 OE1 GLU A 74 1.485 17.175 13.275 1.00 0.00 O ATOM 1095 OE2 GLU A 74 2.598 18.458 11.881 1.00 0.00 O ATOM 0 H GLU A 74 5.831 15.556 12.728 1.00 0.00 H new ATOM 0 HA GLU A 74 3.827 13.701 13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.768 15.683 14.518 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.486 15.708 14.863 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.166 17.890 14.201 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.634 17.167 12.675 1.00 0.00 H new ATOM 1102 N GLU A 75 3.295 15.515 10.899 1.00 0.00 N ATOM 1103 CA GLU A 75 2.410 15.694 9.754 1.00 0.00 C ATOM 1104 C GLU A 75 1.889 14.350 9.253 1.00 0.00 C ATOM 1105 O GLU A 75 2.616 13.590 8.613 1.00 0.00 O ATOM 1106 CB GLU A 75 3.141 16.423 8.625 1.00 0.00 C ATOM 1107 CG GLU A 75 2.309 16.583 7.364 1.00 0.00 C ATOM 1108 CD GLU A 75 0.937 17.167 7.640 1.00 0.00 C ATOM 1109 OE1 GLU A 75 0.808 18.409 7.633 1.00 0.00 O ATOM 1110 OE2 GLU A 75 -0.007 16.381 7.864 1.00 0.00 O ATOM 0 H GLU A 75 4.180 16.018 10.831 1.00 0.00 H new ATOM 0 HA GLU A 75 1.560 16.296 10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.444 17.409 8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.052 15.877 8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.839 17.227 6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.196 15.612 6.882 1.00 0.00 H new ATOM 1117 N VAL A 76 0.626 14.063 9.550 1.00 0.00 N ATOM 1118 CA VAL A 76 0.007 12.812 9.130 1.00 0.00 C ATOM 1119 C VAL A 76 -0.833 13.009 7.873 1.00 0.00 C ATOM 1120 O VAL A 76 -2.046 13.208 7.949 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.883 12.225 10.242 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.660 13.329 10.943 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -1.826 11.177 9.671 1.00 0.00 C ATOM 0 H VAL A 76 0.011 14.680 10.080 1.00 0.00 H new ATOM 0 HA VAL A 76 0.817 12.114 8.917 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.242 11.741 10.979 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.283 12.895 11.725 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.963 14.039 11.387 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.292 13.845 10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.447 10.773 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.462 11.634 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.245 10.372 9.220 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.181 12.952 6.718 1.00 0.00 N ATOM 1134 CA LEU A 77 -0.868 13.124 5.442 1.00 0.00 C ATOM 1135 C LEU A 77 -2.131 12.271 5.385 1.00 0.00 C ATOM 1136 O LEU A 77 -3.228 12.782 5.163 1.00 0.00 O ATOM 1137 CB LEU A 77 0.063 12.756 4.285 1.00 0.00 C ATOM 1138 CG LEU A 77 1.404 13.490 4.243 1.00 0.00 C ATOM 1139 CD1 LEU A 77 2.248 12.994 3.079 1.00 0.00 C ATOM 1140 CD2 LEU A 77 1.186 14.993 4.144 1.00 0.00 C ATOM 0 H LEU A 77 0.823 12.788 6.638 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.155 14.172 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.259 11.685 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.462 12.945 3.349 1.00 0.00 H new ATOM 0 HG LEU A 77 1.940 13.281 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.198 13.528 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.433 11.926 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.718 13.172 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.151 15.499 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.629 15.221 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.622 15.337 5.011 1.00 0.00 H new ATOM 1152 N VAL A 78 -1.968 10.967 5.587 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.095 10.043 5.562 1.00 0.00 C ATOM 1154 C VAL A 78 -2.946 8.965 6.630 1.00 0.00 C ATOM 1155 O VAL A 78 -1.885 8.359 6.770 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.237 9.369 4.185 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.295 8.276 4.231 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.572 10.401 3.119 1.00 0.00 C ATOM 0 H VAL A 78 -1.066 10.527 5.770 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.990 10.630 5.765 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.284 8.908 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.381 7.811 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.008 7.523 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.254 8.710 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.669 9.907 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.512 10.893 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.776 11.144 3.069 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.018 8.732 7.381 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.006 7.727 8.437 1.00 0.00 C ATOM 1170 C GLU A 79 -4.946 6.573 8.101 1.00 0.00 C ATOM 1171 O GLU A 79 -6.151 6.649 8.346 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.408 8.354 9.774 1.00 0.00 C ATOM 1173 CG GLU A 79 -4.083 7.485 10.977 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.511 8.117 12.287 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -5.401 8.993 12.260 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.956 7.736 13.338 1.00 0.00 O ATOM 0 H GLU A 79 -4.905 9.225 7.278 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.992 7.335 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.902 9.313 9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.479 8.558 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.576 6.519 10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.010 7.295 11.003 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.388 5.507 7.540 1.00 0.00 N ATOM 1184 CA CYS A 80 -5.176 4.337 7.168 1.00 0.00 C ATOM 1185 C CYS A 80 -4.895 3.171 8.111 1.00 0.00 C ATOM 1186 O CYS A 80 -3.770 2.994 8.578 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.871 3.928 5.727 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.998 2.681 5.060 1.00 0.00 S ATOM 0 H CYS A 80 -3.392 5.428 7.332 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.231 4.599 7.247 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.910 4.814 5.093 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.852 3.545 5.677 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.621 2.353 3.860 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.926 2.379 8.387 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.791 1.231 9.276 1.00 0.00 C ATOM 1196 C ARG A 81 -6.102 -0.068 8.538 1.00 0.00 C ATOM 1197 O ARG A 81 -7.150 -0.199 7.906 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.721 1.381 10.481 1.00 0.00 C ATOM 1199 CG ARG A 81 -6.105 2.158 11.633 1.00 0.00 C ATOM 1200 CD ARG A 81 -5.889 3.618 11.268 1.00 0.00 C ATOM 1201 NE ARG A 81 -5.638 4.446 12.445 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.575 4.770 13.328 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -7.819 4.337 13.170 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -6.270 5.527 14.374 1.00 0.00 N ATOM 0 H ARG A 81 -6.864 2.511 8.008 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.759 1.192 9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.635 1.882 10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.007 0.390 10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.754 2.092 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.152 1.706 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.046 3.699 10.582 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.766 3.993 10.741 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.691 4.794 12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.058 3.753 12.368 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.537 4.588 13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.315 5.861 14.501 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.991 5.775 15.052 1.00 0.00 H new ATOM 1218 N VAL A 82 -5.184 -1.025 8.623 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.360 -2.314 7.965 1.00 0.00 C ATOM 1220 C VAL A 82 -6.817 -2.760 8.011 1.00 0.00 C ATOM 1221 O VAL A 82 -7.385 -3.165 6.997 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.481 -3.400 8.613 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -4.731 -4.750 7.959 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -3.011 -3.019 8.522 1.00 0.00 C ATOM 0 H VAL A 82 -4.310 -0.932 9.141 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.056 -2.183 6.927 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.748 -3.479 9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.101 -5.505 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.779 -5.025 8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.492 -4.690 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.404 -3.797 8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.727 -2.912 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.847 -2.075 9.041 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.416 -2.684 9.195 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.807 -3.081 9.374 1.00 0.00 C ATOM 1236 C ARG A 83 -9.699 -2.429 8.321 1.00 0.00 C ATOM 1237 O ARG A 83 -10.542 -3.088 7.712 1.00 0.00 O ATOM 1238 CB ARG A 83 -9.292 -2.700 10.774 1.00 0.00 C ATOM 1239 CG ARG A 83 -8.470 -3.318 11.893 1.00 0.00 C ATOM 1240 CD ARG A 83 -8.587 -4.834 11.898 1.00 0.00 C ATOM 1241 NE ARG A 83 -8.278 -5.402 13.208 1.00 0.00 N ATOM 1242 CZ ARG A 83 -8.101 -6.701 13.422 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -8.202 -7.562 12.418 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -7.822 -7.142 14.642 1.00 0.00 N ATOM 0 H ARG A 83 -6.960 -2.351 10.044 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.867 -4.163 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.269 -1.615 10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.332 -3.008 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.424 -3.033 11.778 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.804 -2.923 12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.598 -5.121 11.608 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.911 -5.252 11.153 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.194 -4.767 14.001 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.416 -7.227 11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.066 -8.559 12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.743 -6.483 15.417 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.686 -8.140 14.805 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.506 -1.131 8.112 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.293 -0.389 7.133 1.00 0.00 C ATOM 1260 C PHE A 84 -9.966 -0.845 5.714 1.00 0.00 C ATOM 1261 O PHE A 84 -10.835 -0.871 4.842 1.00 0.00 O ATOM 1262 CB PHE A 84 -10.035 1.112 7.272 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.778 1.746 8.412 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -12.126 1.489 8.606 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -10.130 2.598 9.291 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -12.813 2.072 9.655 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -10.811 3.183 10.342 1.00 0.00 C ATOM 1268 CZ PHE A 84 -12.154 2.919 10.524 1.00 0.00 C ATOM 0 H PHE A 84 -8.812 -0.571 8.607 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.347 -0.588 7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.966 1.277 7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.318 1.608 6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.646 0.826 7.930 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.080 2.808 9.153 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.864 1.865 9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.293 3.846 11.020 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.688 3.374 11.345 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.706 -1.202 5.490 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.262 -1.656 4.177 1.00 0.00 C ATOM 1280 C LEU A 85 -9.219 -2.700 3.609 1.00 0.00 C ATOM 1281 O LEU A 85 -9.324 -3.809 4.132 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.850 -2.237 4.267 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.989 -2.108 3.010 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.516 -2.261 3.353 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.406 -3.139 1.970 1.00 0.00 C ATOM 0 H LEU A 85 -7.974 -1.186 6.200 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.252 -0.796 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.330 -1.749 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.929 -3.294 4.522 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.141 -1.114 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.919 -2.166 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.225 -1.485 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.346 -3.241 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.783 -3.033 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.284 -4.141 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.451 -2.982 1.701 1.00 0.00 H new ATOM 1297 N SER A 86 -9.912 -2.337 2.535 1.00 0.00 N ATOM 1298 CA SER A 86 -10.861 -3.242 1.897 1.00 0.00 C ATOM 1299 C SER A 86 -10.160 -4.134 0.878 1.00 0.00 C ATOM 1300 O SER A 86 -10.473 -5.319 0.753 1.00 0.00 O ATOM 1301 CB SER A 86 -11.976 -2.446 1.213 1.00 0.00 C ATOM 1302 OG SER A 86 -11.482 -1.740 0.088 1.00 0.00 O ATOM 0 H SER A 86 -9.834 -1.423 2.088 1.00 0.00 H new ATOM 0 HA SER A 86 -11.297 -3.875 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.771 -3.123 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.414 -1.744 1.923 1.00 0.00 H new ATOM 0 HG SER A 86 -10.708 -1.201 0.354 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.209 -3.557 0.150 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.463 -4.299 -0.860 1.00 0.00 C ATOM 1310 C PHE A 87 -7.234 -3.516 -1.312 1.00 0.00 C ATOM 1311 O PHE A 87 -7.304 -2.310 -1.542 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.358 -4.606 -2.062 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.622 -5.232 -3.213 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.120 -6.520 -3.113 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.430 -4.532 -4.393 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.443 -7.099 -4.170 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.754 -5.105 -5.453 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.259 -6.390 -5.341 1.00 0.00 C ATOM 0 H PHE A 87 -8.937 -2.578 0.241 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.131 -5.237 -0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.159 -5.274 -1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.828 -3.682 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.259 -7.078 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.813 -3.527 -4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.059 -8.104 -4.080 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.613 -4.549 -6.368 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.729 -6.839 -6.168 1.00 0.00 H new ATOM 1328 N MET A 88 -6.109 -4.213 -1.437 1.00 0.00 N ATOM 1329 CA MET A 88 -4.864 -3.583 -1.862 1.00 0.00 C ATOM 1330 C MET A 88 -4.274 -4.307 -3.068 1.00 0.00 C ATOM 1331 O MET A 88 -4.464 -5.511 -3.236 1.00 0.00 O ATOM 1332 CB MET A 88 -3.854 -3.574 -0.713 1.00 0.00 C ATOM 1333 CG MET A 88 -3.252 -4.939 -0.423 1.00 0.00 C ATOM 1334 SD MET A 88 -2.133 -4.918 0.991 1.00 0.00 S ATOM 1335 CE MET A 88 -3.200 -5.564 2.277 1.00 0.00 C ATOM 0 H MET A 88 -6.034 -5.213 -1.250 1.00 0.00 H new ATOM 0 HA MET A 88 -5.085 -2.555 -2.149 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.052 -2.875 -0.951 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.344 -3.203 0.187 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.054 -5.653 -0.236 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.712 -5.288 -1.303 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.975 -5.066 3.220 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.241 -5.383 2.011 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.033 -6.636 2.384 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.557 -3.564 -3.906 1.00 0.00 N ATOM 1346 CA GLY A 89 -2.950 -4.152 -5.086 1.00 0.00 C ATOM 1347 C GLY A 89 -1.876 -3.268 -5.688 1.00 0.00 C ATOM 1348 O GLY A 89 -1.494 -2.256 -5.101 1.00 0.00 O ATOM 0 H GLY A 89 -3.386 -2.565 -3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.517 -5.118 -4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.722 -4.340 -5.832 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.386 -3.651 -6.863 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.349 -2.886 -7.544 1.00 0.00 C ATOM 1354 C VAL A 90 -0.763 -2.548 -8.972 1.00 0.00 C ATOM 1355 O VAL A 90 -1.413 -3.346 -9.646 1.00 0.00 O ATOM 1356 CB VAL A 90 0.986 -3.655 -7.577 1.00 0.00 C ATOM 1357 CG1 VAL A 90 2.010 -2.912 -8.421 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.507 -3.878 -6.166 1.00 0.00 C ATOM 0 H VAL A 90 -1.691 -4.486 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.215 -1.963 -6.980 1.00 0.00 H new ATOM 0 HB VAL A 90 0.813 -4.629 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.946 -3.470 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.636 -2.809 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.183 -1.923 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.450 -4.422 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.665 -2.915 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.779 -4.456 -5.597 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.382 -1.358 -9.427 1.00 0.00 N ATOM 1369 CA GLY A 91 -0.723 -0.935 -10.773 1.00 0.00 C ATOM 1370 C GLY A 91 0.156 -1.583 -11.824 1.00 0.00 C ATOM 1371 O GLY A 91 1.069 -2.343 -11.500 1.00 0.00 O ATOM 0 H GLY A 91 0.156 -0.680 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.766 -1.180 -10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.631 0.149 -10.844 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.119 -1.283 -13.089 1.00 0.00 N ATOM 1376 CA LYS A 92 0.652 -1.842 -14.193 1.00 0.00 C ATOM 1377 C LYS A 92 2.130 -1.944 -13.828 1.00 0.00 C ATOM 1378 O LYS A 92 2.759 -2.982 -14.035 1.00 0.00 O ATOM 1379 CB LYS A 92 0.485 -0.979 -15.447 1.00 0.00 C ATOM 1380 CG LYS A 92 1.228 -1.516 -16.658 1.00 0.00 C ATOM 1381 CD LYS A 92 0.617 -2.815 -17.157 1.00 0.00 C ATOM 1382 CE LYS A 92 -0.685 -2.568 -17.902 1.00 0.00 C ATOM 1383 NZ LYS A 92 -0.449 -2.211 -19.329 1.00 0.00 N ATOM 0 H LYS A 92 -0.871 -0.655 -13.375 1.00 0.00 H new ATOM 0 HA LYS A 92 0.275 -2.845 -14.395 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.576 -0.902 -15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.837 0.030 -15.233 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.209 -0.774 -17.456 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.274 -1.680 -16.400 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.323 -3.322 -17.815 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.434 -3.480 -16.313 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.308 -3.461 -17.849 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.236 -1.765 -17.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.361 -2.051 -19.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.125 -1.345 -19.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.055 -2.988 -19.803 1.00 0.00 H new ATOM 1397 N ASP A 93 2.676 -0.864 -13.282 1.00 0.00 N ATOM 1398 CA ASP A 93 4.079 -0.833 -12.884 1.00 0.00 C ATOM 1399 C ASP A 93 4.240 -1.253 -11.427 1.00 0.00 C ATOM 1400 O ASP A 93 3.655 -0.649 -10.527 1.00 0.00 O ATOM 1401 CB ASP A 93 4.659 0.566 -13.092 1.00 0.00 C ATOM 1402 CG ASP A 93 6.160 0.544 -13.306 1.00 0.00 C ATOM 1403 OD1 ASP A 93 6.883 0.093 -12.393 1.00 0.00 O ATOM 1404 OD2 ASP A 93 6.611 0.978 -14.387 1.00 0.00 O ATOM 0 H ASP A 93 2.168 0.003 -13.104 1.00 0.00 H new ATOM 0 HA ASP A 93 4.624 -1.540 -13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.179 1.031 -13.953 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.427 1.185 -12.225 1.00 0.00 H new ATOM 1409 N VAL A 94 5.036 -2.293 -11.200 1.00 0.00 N ATOM 1410 CA VAL A 94 5.274 -2.794 -9.852 1.00 0.00 C ATOM 1411 C VAL A 94 5.783 -1.687 -8.936 1.00 0.00 C ATOM 1412 O VAL A 94 5.676 -1.780 -7.713 1.00 0.00 O ATOM 1413 CB VAL A 94 6.291 -3.951 -9.855 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.848 -5.050 -10.809 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.677 -3.441 -10.222 1.00 0.00 C ATOM 0 H VAL A 94 5.527 -2.805 -11.933 1.00 0.00 H new ATOM 0 HA VAL A 94 4.318 -3.161 -9.477 1.00 0.00 H new ATOM 0 HB VAL A 94 6.338 -4.373 -8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.579 -5.858 -10.797 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.877 -5.434 -10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.770 -4.646 -11.818 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.383 -4.272 -10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.648 -2.992 -11.215 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.994 -2.693 -9.495 1.00 0.00 H new ATOM 1425 N HIS A 95 6.338 -0.638 -9.536 1.00 0.00 N ATOM 1426 CA HIS A 95 6.863 0.489 -8.774 1.00 0.00 C ATOM 1427 C HIS A 95 5.736 1.247 -8.079 1.00 0.00 C ATOM 1428 O HIS A 95 5.953 1.913 -7.067 1.00 0.00 O ATOM 1429 CB HIS A 95 7.640 1.434 -9.691 1.00 0.00 C ATOM 1430 CG HIS A 95 8.919 0.850 -10.208 1.00 0.00 C ATOM 1431 ND1 HIS A 95 9.025 -0.449 -10.659 1.00 0.00 N ATOM 1432 CD2 HIS A 95 10.150 1.396 -10.345 1.00 0.00 C ATOM 1433 CE1 HIS A 95 10.266 -0.676 -11.050 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.969 0.428 -10.871 1.00 0.00 N ATOM 0 H HIS A 95 6.435 -0.546 -10.547 1.00 0.00 H new ATOM 0 HA HIS A 95 7.538 0.098 -8.012 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.008 1.709 -10.536 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.863 2.352 -9.148 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.435 2.406 -10.088 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.642 -1.607 -11.449 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.959 0.543 -11.088 1.00 0.00 H new ATOM 1443 N THR A 96 4.531 1.143 -8.631 1.00 0.00 N ATOM 1444 CA THR A 96 3.371 1.820 -8.066 1.00 0.00 C ATOM 1445 C THR A 96 2.696 0.960 -7.004 1.00 0.00 C ATOM 1446 O THR A 96 2.771 -0.268 -7.044 1.00 0.00 O ATOM 1447 CB THR A 96 2.340 2.172 -9.156 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.951 0.989 -9.863 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.912 3.188 -10.133 1.00 0.00 C ATOM 0 H THR A 96 4.333 0.596 -9.469 1.00 0.00 H new ATOM 0 HA THR A 96 3.734 2.740 -7.608 1.00 0.00 H new ATOM 0 HB THR A 96 1.467 2.609 -8.672 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.713 0.649 -10.377 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.167 3.421 -10.893 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.180 4.098 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.800 2.774 -10.610 1.00 0.00 H new ATOM 1457 N PHE A 97 2.035 1.613 -6.053 1.00 0.00 N ATOM 1458 CA PHE A 97 1.346 0.907 -4.978 1.00 0.00 C ATOM 1459 C PHE A 97 0.068 1.638 -4.580 1.00 0.00 C ATOM 1460 O PHE A 97 0.112 2.763 -4.084 1.00 0.00 O ATOM 1461 CB PHE A 97 2.265 0.763 -3.763 1.00 0.00 C ATOM 1462 CG PHE A 97 1.542 0.357 -2.510 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.867 -0.851 -2.445 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.539 1.183 -1.398 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.201 -1.227 -1.294 1.00 0.00 C ATOM 1466 CE2 PHE A 97 0.875 0.812 -0.244 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.206 -0.395 -0.192 1.00 0.00 C ATOM 0 H PHE A 97 1.962 2.629 -6.005 1.00 0.00 H new ATOM 0 HA PHE A 97 1.078 -0.085 -5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.034 0.024 -3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.774 1.711 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.861 -1.506 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.061 2.128 -1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.323 -2.171 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.879 1.465 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.312 -0.688 0.709 1.00 0.00 H new ATOM 1477 N ALA A 98 -1.071 0.990 -4.803 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.362 1.576 -4.466 1.00 0.00 C ATOM 1479 C ALA A 98 -3.173 0.644 -3.572 1.00 0.00 C ATOM 1480 O ALA A 98 -3.037 -0.578 -3.647 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.140 1.903 -5.733 1.00 0.00 C ATOM 0 H ALA A 98 -1.125 0.059 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.181 2.499 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.102 2.340 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.573 2.613 -6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.302 0.990 -6.306 1.00 0.00 H new ATOM 1487 N PHE A 99 -4.015 1.227 -2.726 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.846 0.448 -1.816 1.00 0.00 C ATOM 1489 C PHE A 99 -6.141 1.188 -1.493 1.00 0.00 C ATOM 1490 O PHE A 99 -6.144 2.406 -1.313 1.00 0.00 O ATOM 1491 CB PHE A 99 -4.082 0.147 -0.524 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.777 1.372 0.290 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.747 1.942 1.098 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.520 1.953 0.247 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.470 3.068 1.850 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.236 3.079 0.997 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.213 3.638 1.798 1.00 0.00 C ATOM 0 H PHE A 99 -4.140 2.237 -2.652 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.098 -0.491 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.666 -0.546 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.148 -0.357 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.732 1.501 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.753 1.521 -0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.235 3.501 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.251 3.521 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.994 4.519 2.383 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.239 0.443 -1.423 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.540 1.028 -1.122 1.00 0.00 C ATOM 1509 C ILE A 100 -8.870 0.901 0.361 1.00 0.00 C ATOM 1510 O ILE A 100 -8.754 -0.177 0.943 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.660 0.362 -1.944 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.399 0.541 -3.441 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -11.013 0.944 -1.564 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -8.649 -0.614 -4.066 1.00 0.00 C ATOM 0 H ILE A 100 -7.254 -0.566 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.481 2.083 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.669 -0.705 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.352 0.666 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.831 1.458 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.794 0.464 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.199 0.770 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.017 2.016 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.500 -0.419 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.681 -0.726 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.225 -1.531 -3.943 1.00 0.00 H new ATOM 1526 N MET A 101 -9.283 2.010 0.966 1.00 0.00 N ATOM 1527 CA MET A 101 -9.633 2.023 2.382 1.00 0.00 C ATOM 1528 C MET A 101 -11.093 2.416 2.578 1.00 0.00 C ATOM 1529 O MET A 101 -11.647 3.191 1.798 1.00 0.00 O ATOM 1530 CB MET A 101 -8.725 2.990 3.145 1.00 0.00 C ATOM 1531 CG MET A 101 -8.927 4.446 2.757 1.00 0.00 C ATOM 1532 SD MET A 101 -7.702 5.538 3.504 1.00 0.00 S ATOM 1533 CE MET A 101 -8.409 5.778 5.132 1.00 0.00 C ATOM 0 H MET A 101 -9.383 2.911 0.498 1.00 0.00 H new ATOM 0 HA MET A 101 -9.491 1.016 2.775 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.906 2.879 4.214 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.685 2.716 2.968 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.878 4.539 1.672 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.925 4.764 3.060 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.624 6.066 5.831 1.00 0.00 H new ATOM 0 HE2 MET A 101 -9.163 6.564 5.089 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.871 4.850 5.468 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.712 1.877 3.622 1.00 0.00 N ATOM 1544 CA ASP A 102 -13.108 2.172 3.920 1.00 0.00 C ATOM 1545 C ASP A 102 -13.219 3.181 5.060 1.00 0.00 C ATOM 1546 O ASP A 102 -12.926 2.865 6.214 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.857 0.889 4.283 1.00 0.00 C ATOM 1548 CG ASP A 102 -15.028 1.145 5.213 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -14.820 1.136 6.444 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -16.151 1.354 4.709 1.00 0.00 O ATOM 0 H ASP A 102 -11.268 1.233 4.277 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.560 2.607 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.218 0.412 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.167 0.190 4.756 1.00 0.00 H new ATOM 1555 N THR A 103 -13.643 4.396 4.729 1.00 0.00 N ATOM 1556 CA THR A 103 -13.790 5.452 5.723 1.00 0.00 C ATOM 1557 C THR A 103 -15.156 5.385 6.397 1.00 0.00 C ATOM 1558 O THR A 103 -15.379 6.009 7.434 1.00 0.00 O ATOM 1559 CB THR A 103 -13.608 6.846 5.094 1.00 0.00 C ATOM 1560 OG1 THR A 103 -14.594 7.057 4.077 1.00 0.00 O ATOM 1561 CG2 THR A 103 -12.217 6.992 4.497 1.00 0.00 C ATOM 0 H THR A 103 -13.891 4.674 3.779 1.00 0.00 H new ATOM 0 HA THR A 103 -13.011 5.295 6.469 1.00 0.00 H new ATOM 0 HB THR A 103 -13.730 7.593 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 103 -14.473 7.946 3.683 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.112 7.984 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.470 6.860 5.279 1.00 0.00 H new ATOM 0 HG23 THR A 103 -12.071 6.237 3.725 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.550 4.931 0.189 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.566 5.787 -0.461 1.00 0.00 C ATOM 1609 C ARG A 107 -16.161 5.492 0.058 1.00 0.00 C ATOM 1610 O ARG A 107 -15.770 5.965 1.125 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.907 7.260 -0.230 1.00 0.00 C ATOM 1612 CG ARG A 107 -18.896 7.822 -1.238 1.00 0.00 C ATOM 1613 CD ARG A 107 -19.507 9.127 -0.752 1.00 0.00 C ATOM 1614 NE ARG A 107 -18.514 10.193 -0.656 1.00 0.00 N ATOM 1615 CZ ARG A 107 -18.820 11.486 -0.669 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -20.085 11.870 -0.773 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -17.860 12.397 -0.577 1.00 0.00 N ATOM 0 HA ARG A 107 -17.591 5.579 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.318 7.376 0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.989 7.847 -0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.392 7.988 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.687 7.094 -1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -20.301 9.432 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.967 8.971 0.224 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.532 9.931 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.826 11.172 -0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.317 12.863 -0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.886 12.105 -0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.096 13.389 -0.587 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.408 4.706 -0.704 1.00 0.00 N ATOM 1632 CA PHE A 108 -14.048 4.346 -0.321 1.00 0.00 C ATOM 1633 C PHE A 108 -13.026 5.113 -1.156 1.00 0.00 C ATOM 1634 O PHE A 108 -13.251 5.382 -2.335 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.830 2.840 -0.486 1.00 0.00 C ATOM 1636 CG PHE A 108 -15.001 2.013 -0.037 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.599 2.243 1.191 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.503 1.004 -0.844 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.677 1.484 1.607 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.580 0.242 -0.434 1.00 0.00 C ATOM 1641 CZ PHE A 108 -17.167 0.481 0.794 1.00 0.00 C ATOM 0 H PHE A 108 -15.716 4.306 -1.590 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.910 4.614 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.623 2.623 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.947 2.544 0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.218 3.025 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.047 0.811 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -17.135 1.675 2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.963 -0.540 -1.073 1.00 0.00 H new ATOM 0 HZ PHE A 108 -18.007 -0.115 1.117 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.904 5.461 -0.534 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.849 6.198 -1.220 1.00 0.00 C ATOM 1653 C GLU A 109 -9.650 5.298 -1.499 1.00 0.00 C ATOM 1654 O GLU A 109 -9.368 4.368 -0.742 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.413 7.403 -0.384 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.558 8.326 -0.002 1.00 0.00 C ATOM 1657 CD GLU A 109 -11.264 9.136 1.246 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -10.083 9.201 1.647 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -12.215 9.705 1.821 1.00 0.00 O ATOM 0 H GLU A 109 -11.702 5.245 0.442 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.246 6.550 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.926 7.047 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.670 7.972 -0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.765 9.004 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.459 7.734 0.158 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.947 5.580 -2.590 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.778 4.795 -2.972 1.00 0.00 C ATOM 1668 C CYS A 110 -6.539 5.679 -3.070 1.00 0.00 C ATOM 1669 O CYS A 110 -6.429 6.516 -3.967 1.00 0.00 O ATOM 1670 CB CYS A 110 -8.024 4.091 -4.306 1.00 0.00 C ATOM 1671 SG CYS A 110 -6.614 3.131 -4.906 1.00 0.00 S ATOM 0 H CYS A 110 -9.166 6.347 -3.226 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.607 4.044 -2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -8.883 3.428 -4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.287 4.838 -5.055 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.003 2.582 -3.899 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.607 5.488 -2.141 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.375 6.268 -2.122 1.00 0.00 C ATOM 1679 C HIS A 111 -3.274 5.564 -2.908 1.00 0.00 C ATOM 1680 O HIS A 111 -3.056 4.362 -2.751 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.919 6.505 -0.682 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.858 7.360 0.111 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.971 7.039 0.811 1.00 0.00 N flip ATOM 1684 CD2 HIS A 111 -4.702 8.724 0.247 1.00 0.00 C flip ATOM 1685 CE1 HIS A 111 -6.462 8.201 1.353 1.00 0.00 C flip ATOM 1686 NE2 HIS A 111 -5.677 9.203 0.998 1.00 0.00 N flip ATOM 0 H HIS A 111 -5.682 4.800 -1.392 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.575 7.230 -2.594 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.807 5.543 -0.182 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.935 6.975 -0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.907 9.309 -0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -7.345 8.283 1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -5.803 10.181 1.260 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.582 6.319 -3.755 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.503 5.768 -4.566 1.00 0.00 C ATOM 1696 C VAL A 112 -0.154 6.344 -4.150 1.00 0.00 C ATOM 1697 O VAL A 112 -0.019 7.549 -3.940 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.728 6.046 -6.064 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.587 5.471 -6.891 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.064 5.477 -6.516 1.00 0.00 C ATOM 0 H VAL A 112 -2.750 7.315 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.501 4.691 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.748 7.125 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.763 5.677 -7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.353 5.930 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.532 4.393 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.207 5.682 -7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.075 4.400 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.869 5.940 -5.945 1.00 0.00 H new ATOM 1710 N PHE A 113 0.844 5.474 -4.034 1.00 0.00 N ATOM 1711 CA PHE A 113 2.184 5.895 -3.643 1.00 0.00 C ATOM 1712 C PHE A 113 3.242 5.214 -4.506 1.00 0.00 C ATOM 1713 O PHE A 113 3.188 4.006 -4.736 1.00 0.00 O ATOM 1714 CB PHE A 113 2.432 5.577 -2.167 1.00 0.00 C ATOM 1715 CG PHE A 113 1.327 6.038 -1.261 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.145 5.322 -1.166 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.470 7.190 -0.503 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.874 5.744 -0.333 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.455 7.616 0.332 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.719 6.893 0.417 1.00 0.00 C ATOM 0 H PHE A 113 0.750 4.473 -4.205 1.00 0.00 H new ATOM 0 HA PHE A 113 2.257 6.972 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.560 4.501 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.366 6.044 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.018 4.423 -1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.385 7.761 -0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.790 5.176 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.579 8.514 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.514 7.226 1.068 1.00 0.00 H new ATOM 1730 N TRP A 114 4.203 5.998 -4.982 1.00 0.00 N ATOM 1731 CA TRP A 114 5.274 5.472 -5.820 1.00 0.00 C ATOM 1732 C TRP A 114 6.430 4.960 -4.969 1.00 0.00 C ATOM 1733 O TRP A 114 6.999 5.702 -4.168 1.00 0.00 O ATOM 1734 CB TRP A 114 5.772 6.550 -6.784 1.00 0.00 C ATOM 1735 CG TRP A 114 6.770 6.042 -7.780 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.125 5.977 -7.621 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.492 5.530 -9.087 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.706 5.455 -8.752 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.726 5.172 -9.666 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.321 5.337 -9.825 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.819 4.634 -10.947 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.415 4.804 -11.097 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.656 4.456 -11.647 1.00 0.00 C ATOM 0 H TRP A 114 4.262 7.000 -4.802 1.00 0.00 H new ATOM 0 HA TRP A 114 4.874 4.637 -6.395 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.920 6.972 -7.317 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.222 7.360 -6.210 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.661 6.290 -6.737 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.705 5.303 -8.889 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.360 5.600 -9.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.775 4.367 -11.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.516 4.653 -11.677 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.696 4.039 -12.643 1.00 0.00 H new ATOM 1754 N CYS A 115 6.773 3.689 -5.148 1.00 0.00 N ATOM 1755 CA CYS A 115 7.863 3.078 -4.394 1.00 0.00 C ATOM 1756 C CYS A 115 9.146 3.053 -5.218 1.00 0.00 C ATOM 1757 O CYS A 115 9.113 3.195 -6.440 1.00 0.00 O ATOM 1758 CB CYS A 115 7.485 1.658 -3.973 1.00 0.00 C ATOM 1759 SG CYS A 115 6.017 1.565 -2.921 1.00 0.00 S ATOM 0 H CYS A 115 6.313 3.062 -5.808 1.00 0.00 H new ATOM 0 HA CYS A 115 8.038 3.679 -3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.316 1.058 -4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.327 1.211 -3.444 1.00 0.00 H new ATOM 0 HG CYS A 115 5.039 1.027 -3.587 1.00 0.00 H new ATOM 1765 N GLU A 116 10.275 2.873 -4.540 1.00 0.00 N ATOM 1766 CA GLU A 116 11.570 2.833 -5.210 1.00 0.00 C ATOM 1767 C GLU A 116 12.517 1.865 -4.506 1.00 0.00 C ATOM 1768 O GLU A 116 12.710 1.919 -3.291 1.00 0.00 O ATOM 1769 CB GLU A 116 12.191 4.230 -5.253 1.00 0.00 C ATOM 1770 CG GLU A 116 11.380 5.232 -6.057 1.00 0.00 C ATOM 1771 CD GLU A 116 12.117 6.539 -6.276 1.00 0.00 C ATOM 1772 OE1 GLU A 116 13.238 6.502 -6.826 1.00 0.00 O ATOM 1773 OE2 GLU A 116 11.575 7.598 -5.897 1.00 0.00 O ATOM 0 H GLU A 116 10.319 2.753 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 116 11.412 2.483 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.303 4.600 -4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.192 4.161 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.126 4.796 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.441 5.431 -5.541 1.00 0.00 H new ATOM 1780 N PRO A 117 13.122 0.957 -5.286 1.00 0.00 N ATOM 1781 CA PRO A 117 12.900 0.883 -6.733 1.00 0.00 C ATOM 1782 C PRO A 117 11.499 0.391 -7.080 1.00 0.00 C ATOM 1783 O PRO A 117 10.803 0.996 -7.895 1.00 0.00 O ATOM 1784 CB PRO A 117 13.952 -0.125 -7.202 1.00 0.00 C ATOM 1785 CG PRO A 117 14.225 -0.971 -6.007 1.00 0.00 C ATOM 1786 CD PRO A 117 14.069 -0.067 -4.815 1.00 0.00 C ATOM 0 HA PRO A 117 12.984 1.860 -7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.583 -0.724 -8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.856 0.377 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.530 -1.809 -5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.229 -1.392 -6.048 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.681 -0.605 -3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 117 15.021 0.373 -4.517 1.00 0.00 H new ATOM 1794 N ASN A 118 11.091 -0.709 -6.456 1.00 0.00 N ATOM 1795 CA ASN A 118 9.772 -1.282 -6.699 1.00 0.00 C ATOM 1796 C ASN A 118 8.928 -1.262 -5.429 1.00 0.00 C ATOM 1797 O ASN A 118 9.369 -0.781 -4.385 1.00 0.00 O ATOM 1798 CB ASN A 118 9.904 -2.717 -7.214 1.00 0.00 C ATOM 1799 CG ASN A 118 11.123 -3.423 -6.653 1.00 0.00 C ATOM 1800 OD1 ASN A 118 11.218 -3.477 -5.330 1.00 0.00 O flip ATOM 1801 ND2 ASN A 118 11.968 -3.916 -7.401 1.00 0.00 N flip ATOM 0 H ASN A 118 11.655 -1.222 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 118 9.273 -0.676 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 118 9.008 -3.279 -6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.963 -2.705 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.854 -3.851 -8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 118 12.782 -4.390 -7.009 1.00 0.00 H new ATOM 1808 N ALA A 119 7.711 -1.788 -5.525 1.00 0.00 N ATOM 1809 CA ALA A 119 6.805 -1.832 -4.384 1.00 0.00 C ATOM 1810 C ALA A 119 6.770 -3.226 -3.765 1.00 0.00 C ATOM 1811 O ALA A 119 5.715 -3.704 -3.350 1.00 0.00 O ATOM 1812 CB ALA A 119 5.407 -1.403 -4.803 1.00 0.00 C ATOM 0 H ALA A 119 7.330 -2.190 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 119 7.175 -1.137 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.741 -1.441 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.440 -0.385 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.037 -2.075 -5.577 1.00 0.00 H new ATOM 1818 N ALA A 120 7.930 -3.872 -3.708 1.00 0.00 N ATOM 1819 CA ALA A 120 8.032 -5.210 -3.138 1.00 0.00 C ATOM 1820 C ALA A 120 8.041 -5.159 -1.614 1.00 0.00 C ATOM 1821 O ALA A 120 7.201 -5.774 -0.958 1.00 0.00 O ATOM 1822 CB ALA A 120 9.282 -5.909 -3.652 1.00 0.00 C ATOM 0 H ALA A 120 8.812 -3.491 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 120 7.156 -5.779 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.345 -6.907 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.234 -5.988 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.163 -5.334 -3.368 1.00 0.00 H new ATOM 1828 N ASN A 121 8.996 -4.421 -1.057 1.00 0.00 N ATOM 1829 CA ASN A 121 9.114 -4.291 0.391 1.00 0.00 C ATOM 1830 C ASN A 121 7.842 -3.701 0.990 1.00 0.00 C ATOM 1831 O ASN A 121 7.301 -4.224 1.965 1.00 0.00 O ATOM 1832 CB ASN A 121 10.315 -3.413 0.748 1.00 0.00 C ATOM 1833 CG ASN A 121 11.619 -4.186 0.745 1.00 0.00 C ATOM 1834 OD1 ASN A 121 12.297 -4.286 1.767 1.00 0.00 O ATOM 1835 ND2 ASN A 121 11.976 -4.739 -0.409 1.00 0.00 N ATOM 0 H ASN A 121 9.699 -3.904 -1.586 1.00 0.00 H new ATOM 0 HA ASN A 121 9.263 -5.286 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.383 -2.589 0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.159 -2.973 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.843 -5.272 -0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.383 -4.630 -1.232 1.00 0.00 H new ATOM 1842 N VAL A 122 7.367 -2.609 0.399 1.00 0.00 N ATOM 1843 CA VAL A 122 6.157 -1.948 0.873 1.00 0.00 C ATOM 1844 C VAL A 122 4.956 -2.885 0.803 1.00 0.00 C ATOM 1845 O VAL A 122 4.375 -3.244 1.827 1.00 0.00 O ATOM 1846 CB VAL A 122 5.853 -0.680 0.054 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.528 -0.070 0.486 1.00 0.00 C ATOM 1848 CG2 VAL A 122 6.984 0.328 0.194 1.00 0.00 C ATOM 0 H VAL A 122 7.802 -2.164 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 122 6.335 -1.667 1.911 1.00 0.00 H new ATOM 0 HB VAL A 122 5.772 -0.958 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.330 0.825 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.727 -0.792 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.577 0.195 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.753 1.218 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.099 0.603 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.912 -0.114 -0.169 1.00 0.00 H new ATOM 1858 N SER A 123 4.589 -3.278 -0.413 1.00 0.00 N ATOM 1859 CA SER A 123 3.454 -4.171 -0.617 1.00 0.00 C ATOM 1860 C SER A 123 3.560 -5.398 0.283 1.00 0.00 C ATOM 1861 O SER A 123 2.560 -5.879 0.814 1.00 0.00 O ATOM 1862 CB SER A 123 3.377 -4.604 -2.083 1.00 0.00 C ATOM 1863 OG SER A 123 3.279 -3.482 -2.942 1.00 0.00 O ATOM 0 H SER A 123 5.061 -2.992 -1.271 1.00 0.00 H new ATOM 0 HA SER A 123 2.545 -3.629 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.262 -5.187 -2.340 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.514 -5.254 -2.229 1.00 0.00 H new ATOM 0 HG SER A 123 4.073 -3.438 -3.514 1.00 0.00 H new ATOM 1869 N GLU A 124 4.780 -5.900 0.448 1.00 0.00 N ATOM 1870 CA GLU A 124 5.016 -7.072 1.283 1.00 0.00 C ATOM 1871 C GLU A 124 4.772 -6.750 2.754 1.00 0.00 C ATOM 1872 O GLU A 124 4.159 -7.534 3.479 1.00 0.00 O ATOM 1873 CB GLU A 124 6.447 -7.582 1.092 1.00 0.00 C ATOM 1874 CG GLU A 124 6.719 -8.904 1.788 1.00 0.00 C ATOM 1875 CD GLU A 124 5.936 -10.054 1.184 1.00 0.00 C ATOM 1876 OE1 GLU A 124 4.709 -10.118 1.407 1.00 0.00 O ATOM 1877 OE2 GLU A 124 6.551 -10.889 0.489 1.00 0.00 O ATOM 0 H GLU A 124 5.619 -5.514 0.015 1.00 0.00 H new ATOM 0 HA GLU A 124 4.316 -7.850 0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.644 -7.695 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.144 -6.833 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.785 -9.127 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.466 -8.813 2.844 1.00 0.00 H new ATOM 1884 N ALA A 125 5.256 -5.591 3.189 1.00 0.00 N ATOM 1885 CA ALA A 125 5.089 -5.164 4.572 1.00 0.00 C ATOM 1886 C ALA A 125 3.614 -4.987 4.918 1.00 0.00 C ATOM 1887 O ALA A 125 3.146 -5.468 5.950 1.00 0.00 O ATOM 1888 CB ALA A 125 5.850 -3.871 4.821 1.00 0.00 C ATOM 0 H ALA A 125 5.767 -4.931 2.603 1.00 0.00 H new ATOM 0 HA ALA A 125 5.496 -5.942 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.716 -3.564 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.910 -4.029 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.470 -3.092 4.160 1.00 0.00 H new ATOM 1894 N VAL A 126 2.886 -4.294 4.049 1.00 0.00 N ATOM 1895 CA VAL A 126 1.464 -4.053 4.262 1.00 0.00 C ATOM 1896 C VAL A 126 0.666 -5.348 4.157 1.00 0.00 C ATOM 1897 O VAL A 126 -0.152 -5.656 5.022 1.00 0.00 O ATOM 1898 CB VAL A 126 0.908 -3.036 3.248 1.00 0.00 C ATOM 1899 CG1 VAL A 126 1.045 -3.567 1.829 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.543 -2.707 3.565 1.00 0.00 C ATOM 0 H VAL A 126 3.258 -3.889 3.190 1.00 0.00 H new ATOM 0 HA VAL A 126 1.359 -3.645 5.267 1.00 0.00 H new ATOM 0 HB VAL A 126 1.490 -2.118 3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.647 -2.835 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.097 -3.747 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.489 -4.500 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -0.920 -1.987 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.141 -3.617 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.609 -2.281 4.566 1.00 0.00 H new ATOM 1910 N GLN A 127 0.911 -6.102 3.090 1.00 0.00 N ATOM 1911 CA GLN A 127 0.215 -7.364 2.871 1.00 0.00 C ATOM 1912 C GLN A 127 0.301 -8.255 4.106 1.00 0.00 C ATOM 1913 O GLN A 127 -0.704 -8.797 4.564 1.00 0.00 O ATOM 1914 CB GLN A 127 0.802 -8.092 1.661 1.00 0.00 C ATOM 1915 CG GLN A 127 0.175 -9.453 1.406 1.00 0.00 C ATOM 1916 CD GLN A 127 0.894 -10.233 0.323 1.00 0.00 C ATOM 1917 OE1 GLN A 127 0.416 -10.113 -0.910 1.00 0.00 O flip ATOM 1918 NE2 GLN A 127 1.868 -10.937 0.591 1.00 0.00 N flip ATOM 0 H GLN A 127 1.586 -5.861 2.364 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.834 -7.142 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.672 -7.470 0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.875 -8.217 1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.182 -10.031 2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.869 -9.320 1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.202 -11.001 1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 127 2.341 -11.457 -0.149 1.00 0.00 H new ATOM 1927 N ALA A 128 1.509 -8.403 4.640 1.00 0.00 N ATOM 1928 CA ALA A 128 1.727 -9.226 5.822 1.00 0.00 C ATOM 1929 C ALA A 128 1.085 -8.598 7.055 1.00 0.00 C ATOM 1930 O ALA A 128 0.472 -9.289 7.868 1.00 0.00 O ATOM 1931 CB ALA A 128 3.216 -9.439 6.051 1.00 0.00 C ATOM 0 H ALA A 128 2.352 -7.963 4.272 1.00 0.00 H new ATOM 0 HA ALA A 128 1.255 -10.194 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.363 -10.056 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.649 -9.939 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.704 -8.475 6.195 1.00 0.00 H new ATOM 1937 N ALA A 129 1.231 -7.283 7.187 1.00 0.00 N ATOM 1938 CA ALA A 129 0.665 -6.562 8.320 1.00 0.00 C ATOM 1939 C ALA A 129 -0.701 -7.123 8.701 1.00 0.00 C ATOM 1940 O ALA A 129 -0.985 -7.342 9.879 1.00 0.00 O ATOM 1941 CB ALA A 129 0.558 -5.078 8.000 1.00 0.00 C ATOM 0 H ALA A 129 1.736 -6.696 6.523 1.00 0.00 H new ATOM 0 HA ALA A 129 1.332 -6.692 9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.134 -4.551 8.855 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.549 -4.680 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.086 -4.939 7.132 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.541 -7.352 7.698 1.00 0.00 N ATOM 1948 CA CYS A 130 -2.879 -7.887 7.929 1.00 0.00 C ATOM 1949 C CYS A 130 -2.824 -9.120 8.824 1.00 0.00 C ATOM 1950 O CYS A 130 -3.539 -9.207 9.822 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.547 -8.236 6.598 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.678 -6.845 5.450 1.00 0.00 S ATOM 0 H CYS A 130 -1.320 -7.176 6.718 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.469 -7.121 8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -2.982 -9.036 6.119 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.546 -8.625 6.796 1.00 0.00 H new ATOM 0 HG CYS A 130 -4.254 -7.240 4.354 1.00 0.00 H new ATOM 2337 N HIS A 163 6.217 -11.686 -6.649 1.00 0.00 N ATOM 2338 CA HIS A 163 5.171 -11.204 -5.754 1.00 0.00 C ATOM 2339 C HIS A 163 4.486 -9.970 -6.335 1.00 0.00 C ATOM 2340 O HIS A 163 3.275 -9.967 -6.557 1.00 0.00 O ATOM 2341 CB HIS A 163 5.756 -10.878 -4.380 1.00 0.00 C ATOM 2342 CG HIS A 163 4.873 -10.003 -3.545 1.00 0.00 C ATOM 2343 ND1 HIS A 163 4.752 -8.655 -3.498 1.00 0.00 N flip ATOM 2344 CD2 HIS A 163 3.978 -10.499 -2.621 1.00 0.00 C flip ATOM 2345 CE1 HIS A 163 3.795 -8.366 -2.557 1.00 0.00 C flip ATOM 2346 NE2 HIS A 163 3.343 -9.495 -2.043 1.00 0.00 N flip ATOM 0 HA HIS A 163 4.427 -11.994 -5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.943 -11.808 -3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.720 -10.387 -4.512 1.00 0.00 H new ATOM 0 HD1 HIS A 163 5.274 -7.980 -4.057 1.00 0.00 H new ATOM 0 HD2 HIS A 163 3.821 -11.545 -2.404 1.00 0.00 H new ATOM 0 HE1 HIS A 163 3.465 -7.375 -2.282 1.00 0.00 H new ATOM 2354 N LEU A 164 5.269 -8.925 -6.577 1.00 0.00 N ATOM 2355 CA LEU A 164 4.738 -7.684 -7.131 1.00 0.00 C ATOM 2356 C LEU A 164 3.687 -7.970 -8.199 1.00 0.00 C ATOM 2357 O LEU A 164 2.553 -7.500 -8.110 1.00 0.00 O ATOM 2358 CB LEU A 164 5.869 -6.842 -7.725 1.00 0.00 C ATOM 2359 CG LEU A 164 6.652 -5.978 -6.736 1.00 0.00 C ATOM 2360 CD1 LEU A 164 8.065 -5.734 -7.243 1.00 0.00 C ATOM 2361 CD2 LEU A 164 5.935 -4.657 -6.497 1.00 0.00 C ATOM 0 H LEU A 164 6.273 -8.912 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 164 4.265 -7.127 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.569 -7.511 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.447 -6.191 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 164 6.714 -6.512 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.607 -5.117 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.578 -6.688 -7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.023 -5.222 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.507 -4.055 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.841 -4.118 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 164 4.943 -4.850 -6.089 1.00 0.00 H new ATOM 2373 N SER A 165 4.072 -8.746 -9.207 1.00 0.00 N ATOM 2374 CA SER A 165 3.163 -9.093 -10.294 1.00 0.00 C ATOM 2375 C SER A 165 1.868 -9.689 -9.749 1.00 0.00 C ATOM 2376 O SER A 165 0.773 -9.251 -10.103 1.00 0.00 O ATOM 2377 CB SER A 165 3.832 -10.085 -11.248 1.00 0.00 C ATOM 2378 OG SER A 165 4.524 -9.408 -12.283 1.00 0.00 O ATOM 0 H SER A 165 5.006 -9.146 -9.294 1.00 0.00 H new ATOM 0 HA SER A 165 2.922 -8.181 -10.839 1.00 0.00 H new ATOM 0 HB2 SER A 165 4.527 -10.716 -10.694 1.00 0.00 H new ATOM 0 HB3 SER A 165 3.079 -10.744 -11.680 1.00 0.00 H new ATOM 0 HG SER A 165 4.944 -10.063 -12.878 1.00 0.00 H new ATOM 2384 N LYS A 166 2.002 -10.690 -8.886 1.00 0.00 N ATOM 2385 CA LYS A 166 0.844 -11.346 -8.290 1.00 0.00 C ATOM 2386 C LYS A 166 -0.136 -10.320 -7.732 1.00 0.00 C ATOM 2387 O LYS A 166 -1.346 -10.433 -7.926 1.00 0.00 O ATOM 2388 CB LYS A 166 1.289 -12.299 -7.178 1.00 0.00 C ATOM 2389 CG LYS A 166 1.862 -13.609 -7.693 1.00 0.00 C ATOM 2390 CD LYS A 166 2.335 -14.496 -6.554 1.00 0.00 C ATOM 2391 CE LYS A 166 1.196 -15.328 -5.985 1.00 0.00 C ATOM 2392 NZ LYS A 166 0.895 -16.512 -6.836 1.00 0.00 N ATOM 0 H LYS A 166 2.901 -11.065 -8.583 1.00 0.00 H new ATOM 0 HA LYS A 166 0.340 -11.917 -9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 166 2.038 -11.801 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 166 0.437 -12.513 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 166 1.105 -14.135 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.695 -13.404 -8.366 1.00 0.00 H new ATOM 0 HD2 LYS A 166 3.126 -15.156 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 166 2.765 -13.879 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 166 1.456 -15.660 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 166 0.303 -14.709 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 0.113 -17.053 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 0.622 -16.195 -7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 1.739 -17.116 -6.901 1.00 0.00 H new ATOM 2406 N MET A 167 0.395 -9.317 -7.039 1.00 0.00 N ATOM 2407 CA MET A 167 -0.434 -8.269 -6.455 1.00 0.00 C ATOM 2408 C MET A 167 -1.332 -7.634 -7.512 1.00 0.00 C ATOM 2409 O MET A 167 -2.549 -7.567 -7.346 1.00 0.00 O ATOM 2410 CB MET A 167 0.443 -7.198 -5.804 1.00 0.00 C ATOM 2411 CG MET A 167 1.427 -7.754 -4.787 1.00 0.00 C ATOM 2412 SD MET A 167 0.621 -8.733 -3.505 1.00 0.00 S ATOM 2413 CE MET A 167 -0.189 -7.447 -2.556 1.00 0.00 C ATOM 0 H MET A 167 1.395 -9.208 -6.869 1.00 0.00 H new ATOM 0 HA MET A 167 -1.066 -8.723 -5.692 1.00 0.00 H new ATOM 0 HB2 MET A 167 0.996 -6.671 -6.582 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.197 -6.464 -5.314 1.00 0.00 H new ATOM 0 HG2 MET A 167 2.164 -8.371 -5.300 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.969 -6.930 -4.323 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.091 -7.664 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 167 0.276 -6.486 -2.775 1.00 0.00 H new ATOM 0 HE3 MET A 167 -1.245 -7.408 -2.823 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.722 -7.170 -8.598 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.468 -6.539 -9.681 1.00 0.00 C ATOM 2425 C GLN A 168 -2.353 -7.555 -10.396 1.00 0.00 C ATOM 2426 O GLN A 168 -3.355 -7.192 -11.013 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.507 -5.891 -10.680 1.00 0.00 C ATOM 2428 CG GLN A 168 0.498 -6.863 -11.276 1.00 0.00 C ATOM 2429 CD GLN A 168 1.233 -6.284 -12.469 1.00 0.00 C ATOM 2430 OE1 GLN A 168 1.268 -6.884 -13.543 1.00 0.00 O ATOM 2431 NE2 GLN A 168 1.826 -5.110 -12.286 1.00 0.00 N ATOM 0 H GLN A 168 0.285 -7.219 -8.751 1.00 0.00 H new ATOM 0 HA GLN A 168 -2.106 -5.769 -9.248 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -1.085 -5.439 -11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 168 0.031 -5.084 -10.183 1.00 0.00 H new ATOM 0 HG2 GLN A 168 1.221 -7.147 -10.511 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -0.019 -7.774 -11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.772 -4.647 -11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 168 2.336 -4.671 -13.053 1.00 0.00 H new ATOM 2440 N GLN A 169 -1.977 -8.826 -10.307 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.738 -9.893 -10.947 1.00 0.00 C ATOM 2442 C GLN A 169 -4.075 -10.106 -10.244 1.00 0.00 C ATOM 2443 O GLN A 169 -5.133 -9.823 -10.804 1.00 0.00 O ATOM 2444 CB GLN A 169 -1.934 -11.195 -10.942 1.00 0.00 C ATOM 2445 CG GLN A 169 -0.915 -11.285 -12.067 1.00 0.00 C ATOM 2446 CD GLN A 169 -0.440 -12.703 -12.312 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -0.570 -13.571 -11.449 1.00 0.00 O ATOM 2448 NE2 GLN A 169 0.116 -12.946 -13.494 1.00 0.00 N ATOM 0 H GLN A 169 -1.151 -9.142 -9.799 1.00 0.00 H new ATOM 0 HA GLN A 169 -2.933 -9.597 -11.978 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.418 -11.290 -9.987 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -2.622 -12.037 -11.018 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.355 -10.890 -12.983 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.058 -10.655 -11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 169 0.204 -12.196 -14.180 1.00 0.00 H new ATOM 0 HE22 GLN A 169 0.455 -13.882 -13.715 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.018 -10.605 -9.014 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.225 -10.856 -8.234 1.00 0.00 C ATOM 2459 C ASN A 170 -5.280 -9.949 -7.009 1.00 0.00 C ATOM 2460 O ASN A 170 -6.358 -9.620 -6.515 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.281 -12.322 -7.800 1.00 0.00 C ATOM 2462 CG ASN A 170 -3.994 -12.779 -7.141 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -3.886 -12.803 -5.915 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.011 -13.145 -7.955 1.00 0.00 N ATOM 0 H ASN A 170 -3.149 -10.844 -8.536 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.087 -10.637 -8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.110 -12.461 -7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.483 -12.948 -8.669 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.121 -13.462 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.145 -13.109 -8.965 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.109 -9.547 -6.524 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.046 -8.681 -5.361 1.00 0.00 C ATOM 2473 C GLY A 171 -4.444 -9.394 -4.085 1.00 0.00 C ATOM 2474 O GLY A 171 -4.644 -10.609 -4.081 1.00 0.00 O ATOM 0 H GLY A 171 -3.203 -9.805 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.033 -8.293 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -4.702 -7.824 -5.514 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.559 -8.639 -2.998 1.00 0.00 N ATOM 2479 CA TYR A 172 -4.933 -9.208 -1.708 1.00 0.00 C ATOM 2480 C TYR A 172 -6.168 -8.513 -1.143 1.00 0.00 C ATOM 2481 O TYR A 172 -6.255 -7.285 -1.139 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.771 -9.090 -0.720 1.00 0.00 C ATOM 2483 CG TYR A 172 -3.967 -9.897 0.544 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -3.726 -11.265 0.562 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.394 -9.291 1.719 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -3.904 -12.007 1.714 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -4.573 -10.024 2.876 1.00 0.00 C ATOM 2488 CZ TYR A 172 -4.327 -11.382 2.868 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.506 -12.116 4.018 1.00 0.00 O ATOM 0 H TYR A 172 -4.399 -7.632 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.169 -10.262 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -2.854 -9.416 -1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.636 -8.042 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -3.394 -11.757 -0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.589 -8.229 1.728 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -3.713 -13.070 1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -4.904 -9.537 3.782 1.00 0.00 H new ATOM 0 HH TYR A 172 -4.805 -11.525 4.740 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.120 -9.308 -0.667 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.351 -8.770 -0.100 1.00 0.00 C ATOM 2501 C GLU A 173 -8.398 -8.992 1.409 1.00 0.00 C ATOM 2502 O GLU A 173 -8.383 -10.129 1.880 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.570 -9.419 -0.760 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.627 -9.215 -2.264 1.00 0.00 C ATOM 2505 CD GLU A 173 -10.339 -10.348 -2.979 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -11.574 -10.263 -3.143 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -9.660 -11.318 -3.374 1.00 0.00 O ATOM 0 H GLU A 173 -7.063 -10.326 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.370 -7.697 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.562 -10.488 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.476 -9.011 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.137 -8.276 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -8.613 -9.125 -2.654 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.453 -7.898 2.161 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.501 -7.973 3.617 1.00 0.00 C ATOM 2516 C ASN A 174 -9.392 -9.123 4.074 1.00 0.00 C ATOM 2517 O ASN A 174 -10.589 -9.166 3.788 1.00 0.00 O ATOM 2518 CB ASN A 174 -9.013 -6.654 4.200 1.00 0.00 C ATOM 2519 CG ASN A 174 -8.435 -6.365 5.572 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -7.504 -7.035 6.019 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -8.988 -5.364 6.248 1.00 0.00 N ATOM 0 H ASN A 174 -8.465 -6.949 1.787 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.489 -8.155 3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.760 -5.838 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -10.100 -6.687 4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -8.642 -5.124 7.177 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -9.758 -4.836 5.838 1.00 0.00 H new