USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 751 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 119 MET CE :methyl 165:sc= -0.0209 (180deg=-0.366) USER MOD Set 1.2: A 122 GLN : amide:sc= 0.0385 X(o=0.018,f=-0.17) USER MOD Set 2.1: A 11 MET CE :methyl -167:sc= 0 (180deg=0) USER MOD Set 2.2: A 121 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.1!) USER MOD Single : A 13 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.29) USER MOD Single : A 20 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.99) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.268) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.46) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc=-0.00476 X(o=-0.0048,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -3.54! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -68:sc= 1.21 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.693 USER MOD Single : A 52 GLN : amide:sc= -0.921 K(o=-0.92,f=-3.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -44:sc= 1.01 USER MOD Single : A 60 ASN : amide:sc= -0.974 X(o=-0.97,f=-0.93) USER MOD Single : A 64 ASN : amide:sc= -4.62! C(o=-4.6!,f=-6.7!) USER MOD Single : A 69 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.9!) USER MOD Single : A 71 SER OG : rot -112:sc= -0.0338 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -1.89 K(o=-1.9,f=-4.2!) USER MOD Single : A 118 LYS NZ :NH3+ -151:sc= -0.0442 (180deg=-0.446) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.684 3.635 8.319 1.00 0.00 N ATOM 173 CA MET A 11 -3.437 2.986 7.953 1.00 0.00 C ATOM 174 C MET A 11 -3.273 1.656 8.692 1.00 0.00 C ATOM 175 O MET A 11 -2.737 0.697 8.139 1.00 0.00 O ATOM 176 CB MET A 11 -2.263 3.907 8.292 1.00 0.00 C ATOM 177 CG MET A 11 -2.194 4.175 9.797 1.00 0.00 C ATOM 178 SD MET A 11 -0.726 5.115 10.182 1.00 0.00 S ATOM 179 CE MET A 11 -0.150 4.217 11.613 1.00 0.00 C ATOM 0 HA MET A 11 -3.455 2.785 6.882 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.331 3.452 7.957 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.369 4.850 7.755 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.081 4.721 10.119 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.186 3.232 10.343 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.622 4.796 12.120 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.983 4.047 12.295 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.263 3.258 11.299 1.00 0.00 H new ATOM 189 N ARG A 12 -3.745 1.642 9.929 1.00 0.00 N ATOM 190 CA ARG A 12 -3.657 0.445 10.750 1.00 0.00 C ATOM 191 C ARG A 12 -4.288 -0.744 10.023 1.00 0.00 C ATOM 192 O ARG A 12 -3.690 -1.815 9.942 1.00 0.00 O ATOM 193 CB ARG A 12 -4.362 0.646 12.093 1.00 0.00 C ATOM 194 CG ARG A 12 -3.376 0.508 13.255 1.00 0.00 C ATOM 195 CD ARG A 12 -4.056 -0.105 14.481 1.00 0.00 C ATOM 196 NE ARG A 12 -3.265 -1.254 14.976 1.00 0.00 N ATOM 197 CZ ARG A 12 -3.639 -2.040 15.995 1.00 0.00 C ATOM 198 NH1 ARG A 12 -4.794 -1.807 16.632 1.00 0.00 N ATOM 199 NH2 ARG A 12 -2.857 -3.059 16.376 1.00 0.00 N ATOM 0 H ARG A 12 -4.190 2.440 10.384 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.601 0.245 10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.826 1.632 12.120 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.162 -0.086 12.201 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.535 -0.116 12.951 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.971 1.487 13.511 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.154 0.645 15.266 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.064 -0.431 14.224 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.380 -1.460 14.513 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.389 -1.031 16.342 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.078 -2.405 17.408 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.978 -3.236 15.891 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.141 -3.658 17.152 1.00 0.00 H new ATOM 213 N GLN A 13 -5.489 -0.515 9.513 1.00 0.00 N ATOM 214 CA GLN A 13 -6.208 -1.554 8.795 1.00 0.00 C ATOM 215 C GLN A 13 -5.520 -1.852 7.462 1.00 0.00 C ATOM 216 O GLN A 13 -5.653 -2.949 6.922 1.00 0.00 O ATOM 217 CB GLN A 13 -7.671 -1.162 8.582 1.00 0.00 C ATOM 218 CG GLN A 13 -7.802 -0.113 7.476 1.00 0.00 C ATOM 219 CD GLN A 13 -9.262 0.058 7.051 1.00 0.00 C ATOM 220 OE1 GLN A 13 -9.954 -0.891 6.722 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.690 1.317 7.078 1.00 0.00 N ATOM 0 H GLN A 13 -5.983 0.375 9.583 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.194 -2.461 9.399 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.254 -2.045 8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.085 -0.770 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.408 0.841 7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.202 -0.410 6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.058 2.065 7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.651 1.535 6.813 1.00 0.00 H new ATOM 230 N LEU A 14 -4.800 -0.855 6.968 1.00 0.00 N ATOM 231 CA LEU A 14 -4.091 -0.996 5.708 1.00 0.00 C ATOM 232 C LEU A 14 -3.023 -2.082 5.847 1.00 0.00 C ATOM 233 O LEU A 14 -2.945 -2.990 5.021 1.00 0.00 O ATOM 234 CB LEU A 14 -3.538 0.356 5.250 1.00 0.00 C ATOM 235 CG LEU A 14 -4.342 1.077 4.166 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.089 0.456 2.791 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.831 1.106 4.516 1.00 0.00 C ATOM 0 H LEU A 14 -4.693 0.054 7.418 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.773 -1.319 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.468 1.011 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.523 0.205 4.882 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.002 2.111 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.672 0.987 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.029 0.531 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.385 -0.593 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.380 1.624 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.203 0.086 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.972 1.629 5.462 1.00 0.00 H new ATOM 249 N ILE A 15 -2.227 -1.953 6.899 1.00 0.00 N ATOM 250 CA ILE A 15 -1.167 -2.912 7.157 1.00 0.00 C ATOM 251 C ILE A 15 -1.779 -4.217 7.669 1.00 0.00 C ATOM 252 O ILE A 15 -1.231 -5.295 7.443 1.00 0.00 O ATOM 253 CB ILE A 15 -0.120 -2.313 8.098 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.548 -1.089 7.468 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.903 -3.369 8.523 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.096 0.199 8.159 1.00 0.00 C ATOM 0 H ILE A 15 -2.295 -1.199 7.582 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.635 -3.149 6.235 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.627 -1.974 9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.631 -1.184 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.303 -1.042 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.636 -2.917 9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.393 -4.182 9.040 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.409 -3.761 7.641 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.586 1.054 7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.985 0.303 8.063 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.365 0.159 9.215 1.00 0.00 H new ATOM 268 N ASP A 16 -2.908 -4.077 8.349 1.00 0.00 N ATOM 269 CA ASP A 16 -3.600 -5.231 8.896 1.00 0.00 C ATOM 270 C ASP A 16 -4.073 -6.127 7.749 1.00 0.00 C ATOM 271 O ASP A 16 -3.699 -7.296 7.675 1.00 0.00 O ATOM 272 CB ASP A 16 -4.830 -4.806 9.701 1.00 0.00 C ATOM 273 CG ASP A 16 -5.059 -5.589 10.995 1.00 0.00 C ATOM 274 OD1 ASP A 16 -4.492 -5.162 12.024 1.00 0.00 O ATOM 275 OD2 ASP A 16 -5.794 -6.598 10.925 1.00 0.00 O ATOM 0 H ASP A 16 -3.360 -3.182 8.533 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.907 -5.761 9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.737 -3.748 9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.712 -4.911 9.070 1.00 0.00 H new ATOM 280 N ILE A 17 -4.888 -5.543 6.882 1.00 0.00 N ATOM 281 CA ILE A 17 -5.416 -6.274 5.742 1.00 0.00 C ATOM 282 C ILE A 17 -4.254 -6.837 4.921 1.00 0.00 C ATOM 283 O ILE A 17 -4.297 -7.986 4.485 1.00 0.00 O ATOM 284 CB ILE A 17 -6.369 -5.391 4.934 1.00 0.00 C ATOM 285 CG1 ILE A 17 -5.712 -4.055 4.581 1.00 0.00 C ATOM 286 CG2 ILE A 17 -7.696 -5.200 5.671 1.00 0.00 C ATOM 287 CD1 ILE A 17 -5.360 -3.994 3.093 1.00 0.00 C ATOM 0 H ILE A 17 -5.195 -4.573 6.946 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.012 -7.123 6.076 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.592 -5.898 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.386 -3.236 4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.810 -3.920 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.355 -4.569 5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.167 -6.170 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.512 -4.725 6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.894 -3.034 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.667 -4.799 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.268 -4.105 2.500 1.00 0.00 H new ATOM 299 N VAL A 18 -3.243 -6.001 4.734 1.00 0.00 N ATOM 300 CA VAL A 18 -2.072 -6.401 3.973 1.00 0.00 C ATOM 301 C VAL A 18 -1.592 -7.768 4.464 1.00 0.00 C ATOM 302 O VAL A 18 -1.642 -8.750 3.726 1.00 0.00 O ATOM 303 CB VAL A 18 -0.994 -5.319 4.065 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.359 -5.852 3.587 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.400 -4.071 3.279 1.00 0.00 C ATOM 0 H VAL A 18 -3.211 -5.048 5.097 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.320 -6.505 2.917 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.892 -5.036 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.108 -5.064 3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.657 -6.697 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.276 -6.176 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.616 -3.318 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.544 -4.332 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.330 -3.672 3.684 1.00 0.00 H new ATOM 315 N ASP A 19 -1.137 -7.787 5.709 1.00 0.00 N ATOM 316 CA ASP A 19 -0.648 -9.017 6.308 1.00 0.00 C ATOM 317 C ASP A 19 -1.741 -10.085 6.234 1.00 0.00 C ATOM 318 O ASP A 19 -1.454 -11.255 5.985 1.00 0.00 O ATOM 319 CB ASP A 19 -0.290 -8.808 7.781 1.00 0.00 C ATOM 320 CG ASP A 19 0.949 -7.946 8.029 1.00 0.00 C ATOM 321 OD1 ASP A 19 1.697 -7.732 7.051 1.00 0.00 O ATOM 322 OD2 ASP A 19 1.121 -7.521 9.192 1.00 0.00 O ATOM 0 H ASP A 19 -1.097 -6.970 6.319 1.00 0.00 H new ATOM 0 HA ASP A 19 0.242 -9.328 5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.141 -8.348 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.135 -9.783 8.243 1.00 0.00 H new ATOM 327 N GLN A 20 -2.971 -9.644 6.454 1.00 0.00 N ATOM 328 CA GLN A 20 -4.108 -10.547 6.415 1.00 0.00 C ATOM 329 C GLN A 20 -4.174 -11.260 5.062 1.00 0.00 C ATOM 330 O GLN A 20 -4.649 -12.391 4.975 1.00 0.00 O ATOM 331 CB GLN A 20 -5.412 -9.801 6.705 1.00 0.00 C ATOM 332 CG GLN A 20 -6.321 -10.622 7.621 1.00 0.00 C ATOM 333 CD GLN A 20 -6.274 -10.095 9.057 1.00 0.00 C ATOM 334 OE1 GLN A 20 -5.348 -9.413 9.465 1.00 0.00 O ATOM 335 NE2 GLN A 20 -7.320 -10.449 9.797 1.00 0.00 N ATOM 0 H GLN A 20 -3.205 -8.673 6.660 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.977 -11.298 7.194 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.190 -8.841 7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.929 -9.588 5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.345 -10.586 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.012 -11.667 7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.061 -11.022 9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.382 -10.148 10.770 1.00 0.00 H new ATOM 344 N LEU A 21 -3.690 -10.568 4.041 1.00 0.00 N ATOM 345 CA LEU A 21 -3.688 -11.121 2.697 1.00 0.00 C ATOM 346 C LEU A 21 -2.384 -11.888 2.468 1.00 0.00 C ATOM 347 O LEU A 21 -2.381 -12.935 1.822 1.00 0.00 O ATOM 348 CB LEU A 21 -3.944 -10.021 1.665 1.00 0.00 C ATOM 349 CG LEU A 21 -2.717 -9.519 0.901 1.00 0.00 C ATOM 350 CD1 LEU A 21 -2.640 -10.152 -0.489 1.00 0.00 C ATOM 351 CD2 LEU A 21 -2.699 -7.990 0.838 1.00 0.00 C ATOM 0 H LEU A 21 -3.297 -9.630 4.117 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.503 -11.835 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.671 -10.391 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.403 -9.173 2.173 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.825 -9.829 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.759 -9.778 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.572 -11.236 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.534 -9.894 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.817 -7.659 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.596 -7.636 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.671 -7.584 1.849 1.00 0.00 H new ATOM 363 N LYS A 22 -1.308 -11.337 3.009 1.00 0.00 N ATOM 364 CA LYS A 22 -0.001 -11.956 2.872 1.00 0.00 C ATOM 365 C LYS A 22 0.012 -13.285 3.631 1.00 0.00 C ATOM 366 O LYS A 22 0.683 -14.231 3.222 1.00 0.00 O ATOM 367 CB LYS A 22 1.100 -10.988 3.310 1.00 0.00 C ATOM 368 CG LYS A 22 2.288 -11.037 2.348 1.00 0.00 C ATOM 369 CD LYS A 22 3.487 -10.275 2.917 1.00 0.00 C ATOM 370 CE LYS A 22 4.218 -11.110 3.969 1.00 0.00 C ATOM 371 NZ LYS A 22 5.362 -11.826 3.360 1.00 0.00 N ATOM 0 H LYS A 22 -1.314 -10.468 3.543 1.00 0.00 H new ATOM 0 HA LYS A 22 0.204 -12.183 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.702 -9.974 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.432 -11.241 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.567 -12.074 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.001 -10.607 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.174 -10.017 2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.150 -9.338 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.572 -10.464 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.529 -11.827 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.000 -12.163 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.012 -12.638 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.879 -11.181 2.729 1.00 0.00 H new ATOM 385 N ASN A 23 -0.738 -13.313 4.723 1.00 0.00 N ATOM 386 CA ASN A 23 -0.822 -14.510 5.542 1.00 0.00 C ATOM 387 C ASN A 23 -1.481 -15.630 4.736 1.00 0.00 C ATOM 388 O ASN A 23 -1.464 -16.789 5.147 1.00 0.00 O ATOM 389 CB ASN A 23 -1.670 -14.264 6.791 1.00 0.00 C ATOM 390 CG ASN A 23 -0.795 -14.203 8.045 1.00 0.00 C ATOM 391 OD1 ASN A 23 -0.397 -13.145 8.505 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.519 -15.393 8.571 1.00 0.00 N ATOM 0 H ASN A 23 -1.293 -12.526 5.059 1.00 0.00 H new ATOM 0 HA ASN A 23 0.189 -14.785 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.221 -13.330 6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.408 -15.059 6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.058 -15.459 9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.884 -16.240 8.136 1.00 0.00 H new ATOM 399 N TYR A 24 -2.047 -15.245 3.601 1.00 0.00 N ATOM 400 CA TYR A 24 -2.712 -16.202 2.733 1.00 0.00 C ATOM 401 C TYR A 24 -1.972 -16.340 1.401 1.00 0.00 C ATOM 402 O TYR A 24 -2.580 -16.654 0.379 1.00 0.00 O ATOM 403 CB TYR A 24 -4.109 -15.636 2.472 1.00 0.00 C ATOM 404 CG TYR A 24 -5.090 -15.840 3.628 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.237 -17.090 4.195 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.827 -14.775 4.104 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.160 -17.282 5.283 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.750 -14.967 5.192 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.871 -16.211 5.728 1.00 0.00 C ATOM 410 OH TYR A 24 -7.743 -16.393 6.756 1.00 0.00 O ATOM 0 H TYR A 24 -2.059 -14.283 3.263 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.741 -17.187 3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.025 -14.569 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.517 -16.103 1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.660 -17.923 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.711 -13.797 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.285 -18.254 5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.333 -14.142 5.574 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.180 -15.542 6.969 1.00 0.00 H new ATOM 420 N VAL A 25 -0.671 -16.098 1.455 1.00 0.00 N ATOM 421 CA VAL A 25 0.158 -16.190 0.265 1.00 0.00 C ATOM 422 C VAL A 25 -0.163 -17.491 -0.474 1.00 0.00 C ATOM 423 O VAL A 25 -0.089 -17.546 -1.701 1.00 0.00 O ATOM 424 CB VAL A 25 1.635 -16.068 0.646 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.532 -16.675 -0.435 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.013 -14.610 0.916 1.00 0.00 C ATOM 0 H VAL A 25 -0.170 -15.838 2.305 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.057 -15.367 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 25 1.791 -16.631 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.576 -16.575 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.289 -17.730 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.370 -16.152 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.068 -14.551 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.833 -14.016 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.408 -14.223 1.736 1.00 0.00 H new ATOM 436 N ASN A 26 -0.513 -18.505 0.302 1.00 0.00 N ATOM 437 CA ASN A 26 -0.845 -19.802 -0.264 1.00 0.00 C ATOM 438 C ASN A 26 -1.929 -19.625 -1.329 1.00 0.00 C ATOM 439 O ASN A 26 -2.024 -20.422 -2.261 1.00 0.00 O ATOM 440 CB ASN A 26 -1.386 -20.749 0.809 1.00 0.00 C ATOM 441 CG ASN A 26 -1.993 -22.003 0.177 1.00 0.00 C ATOM 442 OD1 ASN A 26 -1.435 -22.608 -0.724 1.00 0.00 O ATOM 443 ND2 ASN A 26 -3.163 -22.360 0.698 1.00 0.00 N ATOM 0 H ASN A 26 -0.574 -18.455 1.319 1.00 0.00 H new ATOM 0 HA ASN A 26 0.063 -20.226 -0.694 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.582 -21.032 1.488 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.141 -20.236 1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.648 -23.185 0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.575 -21.809 1.451 1.00 0.00 H new ATOM 450 N ASP A 27 -2.719 -18.575 -1.156 1.00 0.00 N ATOM 451 CA ASP A 27 -3.792 -18.284 -2.091 1.00 0.00 C ATOM 452 C ASP A 27 -3.485 -16.976 -2.822 1.00 0.00 C ATOM 453 O ASP A 27 -4.369 -16.142 -3.008 1.00 0.00 O ATOM 454 CB ASP A 27 -5.127 -18.116 -1.362 1.00 0.00 C ATOM 455 CG ASP A 27 -5.594 -19.343 -0.576 1.00 0.00 C ATOM 456 OD1 ASP A 27 -4.715 -20.010 0.009 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.820 -19.585 -0.579 1.00 0.00 O ATOM 0 H ASP A 27 -2.637 -17.916 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.865 -19.117 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.045 -17.273 -0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.893 -17.859 -2.093 1.00 0.00 H new ATOM 462 N LEU A 28 -2.228 -16.838 -3.217 1.00 0.00 N ATOM 463 CA LEU A 28 -1.792 -15.645 -3.924 1.00 0.00 C ATOM 464 C LEU A 28 -1.217 -16.045 -5.284 1.00 0.00 C ATOM 465 O LEU A 28 -0.334 -16.899 -5.362 1.00 0.00 O ATOM 466 CB LEU A 28 -0.824 -14.834 -3.061 1.00 0.00 C ATOM 467 CG LEU A 28 -1.462 -13.930 -2.005 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.396 -13.147 -1.237 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.509 -13.008 -2.634 1.00 0.00 C ATOM 0 H LEU A 28 -1.497 -17.532 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.638 -14.986 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.150 -15.527 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.213 -14.216 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.980 -14.561 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.877 -12.512 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.279 -13.843 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.171 -12.527 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.948 -12.376 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.035 -12.382 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.291 -13.609 -3.098 1.00 0.00 H new ATOM 481 N VAL A 29 -1.740 -15.410 -6.322 1.00 0.00 N ATOM 482 CA VAL A 29 -1.290 -15.689 -7.675 1.00 0.00 C ATOM 483 C VAL A 29 -0.184 -14.701 -8.054 1.00 0.00 C ATOM 484 O VAL A 29 -0.386 -13.489 -8.004 1.00 0.00 O ATOM 485 CB VAL A 29 -2.477 -15.656 -8.640 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.670 -14.255 -9.224 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.310 -16.695 -9.750 1.00 0.00 C ATOM 0 H VAL A 29 -2.472 -14.703 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.866 -16.691 -7.737 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.375 -15.910 -8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.520 -14.259 -9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.856 -13.547 -8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.771 -13.960 -9.766 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.167 -16.651 -10.422 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.399 -16.486 -10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.245 -17.690 -9.310 1.00 0.00 H new ATOM 497 N PRO A 30 0.991 -15.272 -8.434 1.00 0.00 N ATOM 498 CA PRO A 30 2.128 -14.455 -8.821 1.00 0.00 C ATOM 499 C PRO A 30 1.927 -13.859 -10.216 1.00 0.00 C ATOM 500 O PRO A 30 1.984 -14.575 -11.214 1.00 0.00 O ATOM 501 CB PRO A 30 3.327 -15.386 -8.740 1.00 0.00 C ATOM 502 CG PRO A 30 2.761 -16.797 -8.763 1.00 0.00 C ATOM 503 CD PRO A 30 1.266 -16.703 -8.504 1.00 0.00 C ATOM 0 HA PRO A 30 2.266 -13.592 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.005 -15.223 -9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.898 -15.209 -7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.953 -17.270 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.242 -17.414 -8.004 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.695 -17.177 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.993 -17.205 -7.576 1.00 0.00 H new ATOM 511 N GLU A 31 1.694 -12.555 -10.239 1.00 0.00 N ATOM 512 CA GLU A 31 1.484 -11.855 -11.495 1.00 0.00 C ATOM 513 C GLU A 31 2.344 -10.591 -11.549 1.00 0.00 C ATOM 514 O GLU A 31 2.824 -10.118 -10.520 1.00 0.00 O ATOM 515 CB GLU A 31 0.004 -11.521 -11.696 1.00 0.00 C ATOM 516 CG GLU A 31 -0.457 -10.456 -10.699 1.00 0.00 C ATOM 517 CD GLU A 31 -1.859 -9.952 -11.045 1.00 0.00 C ATOM 518 OE1 GLU A 31 -1.996 -9.358 -12.137 1.00 0.00 O ATOM 519 OE2 GLU A 31 -2.764 -10.171 -10.211 1.00 0.00 O ATOM 0 H GLU A 31 1.646 -11.965 -9.408 1.00 0.00 H new ATOM 0 HA GLU A 31 1.788 -12.512 -12.310 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.158 -11.166 -12.714 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.596 -12.423 -11.574 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.454 -10.871 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.244 -9.622 -10.702 1.00 0.00 H new ATOM 526 N PHE A 32 2.512 -10.079 -12.760 1.00 0.00 N ATOM 527 CA PHE A 32 3.305 -8.879 -12.961 1.00 0.00 C ATOM 528 C PHE A 32 2.646 -7.668 -12.297 1.00 0.00 C ATOM 529 O PHE A 32 1.700 -7.097 -12.839 1.00 0.00 O ATOM 530 CB PHE A 32 3.380 -8.640 -14.470 1.00 0.00 C ATOM 531 CG PHE A 32 4.459 -9.463 -15.177 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.688 -9.602 -14.612 1.00 0.00 C ATOM 533 CD2 PHE A 32 4.189 -10.055 -16.372 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.689 -10.365 -15.268 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.190 -10.819 -17.028 1.00 0.00 C ATOM 536 CZ PHE A 32 6.419 -10.958 -16.462 1.00 0.00 C ATOM 0 H PHE A 32 2.112 -10.474 -13.611 1.00 0.00 H new ATOM 0 HA PHE A 32 4.293 -9.008 -12.520 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.412 -8.872 -14.913 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.568 -7.582 -14.651 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.903 -9.132 -13.664 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.213 -9.944 -16.822 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.665 -10.475 -14.819 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.976 -11.290 -17.976 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.181 -11.539 -16.961 1.00 0.00 H new ATOM 546 N LEU A 33 3.171 -7.312 -11.134 1.00 0.00 N ATOM 547 CA LEU A 33 2.645 -6.179 -10.391 1.00 0.00 C ATOM 548 C LEU A 33 3.714 -5.087 -10.311 1.00 0.00 C ATOM 549 O LEU A 33 4.864 -5.362 -9.972 1.00 0.00 O ATOM 550 CB LEU A 33 2.124 -6.630 -9.025 1.00 0.00 C ATOM 551 CG LEU A 33 0.608 -6.560 -8.830 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.129 -7.006 -10.094 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.176 -7.364 -7.601 1.00 0.00 C ATOM 0 H LEU A 33 3.955 -7.788 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 33 1.787 -5.749 -10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.445 -7.658 -8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.598 -6.018 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 33 0.335 -5.521 -8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.205 -6.947 -9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.147 -6.356 -10.924 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.145 -8.034 -10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.906 -7.298 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.464 -8.407 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.662 -6.960 -6.713 1.00 0.00 H new ATOM 565 N PRO A 34 3.284 -3.838 -10.638 1.00 0.00 N ATOM 566 CA PRO A 34 4.191 -2.703 -10.607 1.00 0.00 C ATOM 567 C PRO A 34 4.474 -2.267 -9.168 1.00 0.00 C ATOM 568 O PRO A 34 3.548 -2.026 -8.395 1.00 0.00 O ATOM 569 CB PRO A 34 3.502 -1.627 -11.429 1.00 0.00 C ATOM 570 CG PRO A 34 2.038 -2.030 -11.500 1.00 0.00 C ATOM 571 CD PRO A 34 1.930 -3.476 -11.044 1.00 0.00 C ATOM 0 HA PRO A 34 5.171 -2.936 -11.022 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.615 -0.648 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.937 -1.559 -12.426 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.433 -1.383 -10.865 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.661 -1.921 -12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.228 -3.579 -10.217 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.572 -4.119 -11.848 1.00 0.00 H new ATOM 579 N ALA A 35 5.758 -2.179 -8.851 1.00 0.00 N ATOM 580 CA ALA A 35 6.174 -1.776 -7.519 1.00 0.00 C ATOM 581 C ALA A 35 7.231 -0.676 -7.630 1.00 0.00 C ATOM 582 O ALA A 35 8.148 -0.772 -8.445 1.00 0.00 O ATOM 583 CB ALA A 35 6.683 -2.998 -6.752 1.00 0.00 C ATOM 0 H ALA A 35 6.524 -2.380 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 35 5.331 -1.368 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.995 -2.696 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.886 -3.737 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.531 -3.432 -7.281 1.00 0.00 H new ATOM 589 N PRO A 36 7.064 0.371 -6.778 1.00 0.00 N ATOM 590 CA PRO A 36 7.993 1.488 -6.774 1.00 0.00 C ATOM 591 C PRO A 36 9.310 1.103 -6.097 1.00 0.00 C ATOM 592 O PRO A 36 9.332 0.243 -5.218 1.00 0.00 O ATOM 593 CB PRO A 36 7.260 2.606 -6.052 1.00 0.00 C ATOM 594 CG PRO A 36 6.138 1.936 -5.275 1.00 0.00 C ATOM 595 CD PRO A 36 5.990 0.518 -5.800 1.00 0.00 C ATOM 0 HA PRO A 36 8.280 1.800 -7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.931 3.144 -5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.864 3.334 -6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.365 1.927 -4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.206 2.488 -5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.083 -0.213 -4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.013 0.365 -6.259 1.00 0.00 H new ATOM 603 N GLU A 37 10.376 1.758 -6.533 1.00 0.00 N ATOM 604 CA GLU A 37 11.694 1.495 -5.980 1.00 0.00 C ATOM 605 C GLU A 37 12.325 2.793 -5.472 1.00 0.00 C ATOM 606 O GLU A 37 12.683 3.665 -6.262 1.00 0.00 O ATOM 607 CB GLU A 37 12.596 0.815 -7.012 1.00 0.00 C ATOM 608 CG GLU A 37 13.090 1.819 -8.055 1.00 0.00 C ATOM 609 CD GLU A 37 13.557 1.105 -9.325 1.00 0.00 C ATOM 610 OE1 GLU A 37 12.712 0.408 -9.928 1.00 0.00 O ATOM 611 OE2 GLU A 37 14.748 1.273 -9.666 1.00 0.00 O ATOM 0 H GLU A 37 10.354 2.470 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 37 11.583 0.813 -5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.449 0.358 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.049 0.012 -7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.290 2.518 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.910 2.405 -7.641 1.00 0.00 H new ATOM 618 N ASP A 38 12.442 2.880 -4.155 1.00 0.00 N ATOM 619 CA ASP A 38 13.023 4.057 -3.531 1.00 0.00 C ATOM 620 C ASP A 38 12.262 5.301 -3.992 1.00 0.00 C ATOM 621 O ASP A 38 12.594 5.893 -5.018 1.00 0.00 O ATOM 622 CB ASP A 38 14.490 4.225 -3.933 1.00 0.00 C ATOM 623 CG ASP A 38 15.501 3.625 -2.954 1.00 0.00 C ATOM 624 OD1 ASP A 38 15.654 4.216 -1.863 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.098 2.589 -3.318 1.00 0.00 O ATOM 0 H ASP A 38 12.144 2.155 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 38 12.956 3.934 -2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.638 3.767 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.701 5.289 -4.044 1.00 0.00 H new ATOM 630 N VAL A 39 11.255 5.663 -3.210 1.00 0.00 N ATOM 631 CA VAL A 39 10.443 6.826 -3.524 1.00 0.00 C ATOM 632 C VAL A 39 10.839 7.983 -2.604 1.00 0.00 C ATOM 633 O VAL A 39 11.061 7.783 -1.411 1.00 0.00 O ATOM 634 CB VAL A 39 8.958 6.469 -3.431 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.414 6.026 -4.790 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.718 5.396 -2.367 1.00 0.00 C ATOM 0 H VAL A 39 10.983 5.171 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 39 10.621 7.150 -4.549 1.00 0.00 H new ATOM 0 HB VAL A 39 8.416 7.366 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.357 5.778 -4.695 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.534 6.835 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.963 5.149 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.655 5.160 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.278 4.497 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.050 5.765 -1.397 1.00 0.00 H new ATOM 646 N GLU A 40 10.917 9.166 -3.195 1.00 0.00 N ATOM 647 CA GLU A 40 11.282 10.355 -2.443 1.00 0.00 C ATOM 648 C GLU A 40 10.344 10.537 -1.248 1.00 0.00 C ATOM 649 O GLU A 40 9.276 9.929 -1.195 1.00 0.00 O ATOM 650 CB GLU A 40 11.276 11.594 -3.340 1.00 0.00 C ATOM 651 CG GLU A 40 11.797 12.820 -2.585 1.00 0.00 C ATOM 652 CD GLU A 40 12.331 13.875 -3.556 1.00 0.00 C ATOM 653 OE1 GLU A 40 11.823 13.904 -4.698 1.00 0.00 O ATOM 654 OE2 GLU A 40 13.234 14.629 -3.134 1.00 0.00 O ATOM 0 H GLU A 40 10.734 9.327 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 40 12.296 10.225 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.895 11.414 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.264 11.785 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.996 13.248 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.588 12.519 -1.898 1.00 0.00 H new ATOM 661 N THR A 41 10.777 11.377 -0.319 1.00 0.00 N ATOM 662 CA THR A 41 9.988 11.646 0.871 1.00 0.00 C ATOM 663 C THR A 41 8.590 12.134 0.486 1.00 0.00 C ATOM 664 O THR A 41 7.646 12.000 1.263 1.00 0.00 O ATOM 665 CB THR A 41 10.763 12.643 1.735 1.00 0.00 C ATOM 666 OG1 THR A 41 11.386 11.832 2.727 1.00 0.00 O ATOM 667 CG2 THR A 41 9.840 13.566 2.535 1.00 0.00 C ATOM 0 H THR A 41 11.663 11.880 -0.366 1.00 0.00 H new ATOM 0 HA THR A 41 9.831 10.739 1.455 1.00 0.00 H new ATOM 0 HB THR A 41 11.415 13.243 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.911 12.398 3.330 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.440 14.253 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.211 14.134 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.211 12.969 3.195 1.00 0.00 H new ATOM 675 N ASN A 42 8.502 12.690 -0.714 1.00 0.00 N ATOM 676 CA ASN A 42 7.235 13.198 -1.212 1.00 0.00 C ATOM 677 C ASN A 42 6.856 12.447 -2.490 1.00 0.00 C ATOM 678 O ASN A 42 6.239 13.017 -3.389 1.00 0.00 O ATOM 679 CB ASN A 42 7.334 14.687 -1.550 1.00 0.00 C ATOM 680 CG ASN A 42 7.406 15.535 -0.278 1.00 0.00 C ATOM 681 OD1 ASN A 42 6.431 15.723 0.430 1.00 0.00 O ATOM 682 ND2 ASN A 42 8.614 16.033 -0.028 1.00 0.00 N ATOM 0 H ASN A 42 9.287 12.800 -1.356 1.00 0.00 H new ATOM 0 HA ASN A 42 6.485 13.053 -0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.218 14.867 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.470 14.987 -2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.766 16.611 0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.388 15.837 -0.663 1.00 0.00 H new ATOM 689 N CYS A 43 7.241 11.180 -2.530 1.00 0.00 N ATOM 690 CA CYS A 43 6.949 10.345 -3.683 1.00 0.00 C ATOM 691 C CYS A 43 6.095 9.165 -3.217 1.00 0.00 C ATOM 692 O CYS A 43 5.158 8.762 -3.905 1.00 0.00 O ATOM 693 CB CYS A 43 8.228 9.883 -4.384 1.00 0.00 C ATOM 694 SG CYS A 43 7.962 9.043 -5.988 1.00 0.00 S ATOM 0 H CYS A 43 7.753 10.711 -1.783 1.00 0.00 H new ATOM 0 HA CYS A 43 6.395 10.922 -4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.870 10.749 -4.545 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.766 9.206 -3.720 1.00 0.00 H new ATOM 0 HG CYS A 43 9.109 8.697 -6.492 1.00 0.00 H new ATOM 699 N GLU A 44 6.449 8.643 -2.052 1.00 0.00 N ATOM 700 CA GLU A 44 5.726 7.516 -1.486 1.00 0.00 C ATOM 701 C GLU A 44 4.231 7.639 -1.788 1.00 0.00 C ATOM 702 O GLU A 44 3.542 6.632 -1.949 1.00 0.00 O ATOM 703 CB GLU A 44 5.974 7.406 0.020 1.00 0.00 C ATOM 704 CG GLU A 44 7.450 7.132 0.314 1.00 0.00 C ATOM 705 CD GLU A 44 7.973 8.065 1.408 1.00 0.00 C ATOM 706 OE1 GLU A 44 8.206 9.249 1.081 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.129 7.574 2.547 1.00 0.00 O ATOM 0 H GLU A 44 7.227 8.979 -1.484 1.00 0.00 H new ATOM 0 HA GLU A 44 6.096 6.602 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.667 8.329 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.362 6.605 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.576 6.095 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.037 7.266 -0.595 1.00 0.00 H new ATOM 714 N TRP A 45 3.774 8.880 -1.857 1.00 0.00 N ATOM 715 CA TRP A 45 2.373 9.147 -2.137 1.00 0.00 C ATOM 716 C TRP A 45 2.094 8.736 -3.584 1.00 0.00 C ATOM 717 O TRP A 45 1.313 7.819 -3.833 1.00 0.00 O ATOM 718 CB TRP A 45 2.026 10.610 -1.853 1.00 0.00 C ATOM 719 CG TRP A 45 1.767 10.913 -0.376 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.498 11.673 0.451 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.665 10.428 0.420 1.00 0.00 C ATOM 722 NE1 TRP A 45 1.950 11.713 1.717 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.800 10.933 1.697 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.410 9.592 0.072 1.00 0.00 C ATOM 725 CZ2 TRP A 45 -0.105 10.657 2.730 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.305 9.326 1.115 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.184 9.826 2.407 1.00 0.00 C ATOM 0 H TRP A 45 4.349 9.712 -1.724 1.00 0.00 H new ATOM 0 HA TRP A 45 1.730 8.563 -1.479 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.842 11.241 -2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.142 10.881 -2.429 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.402 12.189 0.163 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.321 12.222 2.520 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.536 9.187 -0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.023 11.064 3.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.149 8.687 0.901 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.919 9.574 3.157 1.00 0.00 H new ATOM 738 N SER A 46 2.747 9.435 -4.501 1.00 0.00 N ATOM 739 CA SER A 46 2.579 9.155 -5.916 1.00 0.00 C ATOM 740 C SER A 46 2.796 7.664 -6.184 1.00 0.00 C ATOM 741 O SER A 46 2.311 7.131 -7.180 1.00 0.00 O ATOM 742 CB SER A 46 3.541 9.991 -6.762 1.00 0.00 C ATOM 743 OG SER A 46 3.302 9.831 -8.158 1.00 0.00 O ATOM 0 H SER A 46 3.394 10.195 -4.291 1.00 0.00 H new ATOM 0 HA SER A 46 1.561 9.425 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.438 11.043 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.567 9.703 -6.535 1.00 0.00 H new ATOM 0 HG SER A 46 3.935 10.382 -8.664 1.00 0.00 H new ATOM 749 N ALA A 47 3.526 7.033 -5.276 1.00 0.00 N ATOM 750 CA ALA A 47 3.814 5.614 -5.402 1.00 0.00 C ATOM 751 C ALA A 47 2.579 4.809 -4.991 1.00 0.00 C ATOM 752 O ALA A 47 2.357 3.708 -5.492 1.00 0.00 O ATOM 753 CB ALA A 47 5.043 5.266 -4.560 1.00 0.00 C ATOM 0 H ALA A 47 3.927 7.478 -4.450 1.00 0.00 H new ATOM 0 HA ALA A 47 4.045 5.359 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.259 4.202 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.899 5.843 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.848 5.505 -3.515 1.00 0.00 H new ATOM 759 N PHE A 48 1.808 5.391 -4.084 1.00 0.00 N ATOM 760 CA PHE A 48 0.602 4.742 -3.600 1.00 0.00 C ATOM 761 C PHE A 48 -0.255 4.239 -4.765 1.00 0.00 C ATOM 762 O PHE A 48 -0.878 3.183 -4.671 1.00 0.00 O ATOM 763 CB PHE A 48 -0.189 5.792 -2.818 1.00 0.00 C ATOM 764 CG PHE A 48 -1.145 5.205 -1.778 1.00 0.00 C ATOM 765 CD1 PHE A 48 -0.668 4.385 -0.802 1.00 0.00 C ATOM 766 CD2 PHE A 48 -2.471 5.501 -1.829 1.00 0.00 C ATOM 767 CE1 PHE A 48 -1.556 3.840 0.163 1.00 0.00 C ATOM 768 CE2 PHE A 48 -3.358 4.956 -0.863 1.00 0.00 C ATOM 769 CZ PHE A 48 -2.882 4.137 0.112 1.00 0.00 C ATOM 0 H PHE A 48 1.995 6.305 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 48 0.864 3.885 -2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.511 6.460 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.761 6.399 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.385 4.149 -0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.850 6.151 -2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.178 3.189 0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.411 5.192 -0.903 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.557 3.722 0.846 1.00 0.00 H new ATOM 779 N SER A 49 -0.258 5.020 -5.835 1.00 0.00 N ATOM 780 CA SER A 49 -1.028 4.668 -7.016 1.00 0.00 C ATOM 781 C SER A 49 -0.434 3.421 -7.674 1.00 0.00 C ATOM 782 O SER A 49 -1.132 2.696 -8.382 1.00 0.00 O ATOM 783 CB SER A 49 -1.067 5.827 -8.014 1.00 0.00 C ATOM 784 OG SER A 49 0.217 6.094 -8.572 1.00 0.00 O ATOM 0 H SER A 49 0.260 5.895 -5.909 1.00 0.00 H new ATOM 0 HA SER A 49 -2.052 4.456 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.769 5.593 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.439 6.722 -7.516 1.00 0.00 H new ATOM 0 HG SER A 49 0.808 6.450 -7.876 1.00 0.00 H new ATOM 790 N CYS A 50 0.848 3.208 -7.417 1.00 0.00 N ATOM 791 CA CYS A 50 1.543 2.061 -7.976 1.00 0.00 C ATOM 792 C CYS A 50 0.993 0.796 -7.313 1.00 0.00 C ATOM 793 O CYS A 50 0.900 -0.252 -7.950 1.00 0.00 O ATOM 794 CB CYS A 50 3.059 2.180 -7.807 1.00 0.00 C ATOM 795 SG CYS A 50 3.797 3.684 -8.545 1.00 0.00 S ATOM 0 H CYS A 50 1.424 3.810 -6.829 1.00 0.00 H new ATOM 0 HA CYS A 50 1.366 2.014 -9.050 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.295 2.161 -6.743 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.530 1.304 -8.253 1.00 0.00 H new ATOM 0 HG CYS A 50 5.081 3.682 -8.341 1.00 0.00 H new ATOM 800 N PHE A 51 0.642 0.937 -6.043 1.00 0.00 N ATOM 801 CA PHE A 51 0.104 -0.181 -5.287 1.00 0.00 C ATOM 802 C PHE A 51 -1.415 -0.270 -5.447 1.00 0.00 C ATOM 803 O PHE A 51 -2.031 -1.247 -5.023 1.00 0.00 O ATOM 804 CB PHE A 51 0.437 0.072 -3.816 1.00 0.00 C ATOM 805 CG PHE A 51 1.928 -0.024 -3.489 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.561 -1.227 -3.550 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.622 1.092 -3.139 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.946 -1.316 -3.247 1.00 0.00 C ATOM 809 CE2 PHE A 51 4.006 1.002 -2.836 1.00 0.00 C ATOM 810 CZ PHE A 51 4.639 -0.200 -2.897 1.00 0.00 C ATOM 0 H PHE A 51 0.720 1.808 -5.519 1.00 0.00 H new ATOM 0 HA PHE A 51 0.535 -1.115 -5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.078 1.063 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.106 -0.647 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.011 -2.114 -3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.120 2.047 -3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.449 -2.271 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.556 1.888 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.692 -0.268 -2.667 1.00 0.00 H new ATOM 820 N GLN A 52 -1.975 0.763 -6.058 1.00 0.00 N ATOM 821 CA GLN A 52 -3.410 0.814 -6.279 1.00 0.00 C ATOM 822 C GLN A 52 -3.771 0.120 -7.593 1.00 0.00 C ATOM 823 O GLN A 52 -4.612 -0.777 -7.615 1.00 0.00 O ATOM 824 CB GLN A 52 -3.916 2.258 -6.265 1.00 0.00 C ATOM 825 CG GLN A 52 -5.082 2.422 -5.287 1.00 0.00 C ATOM 826 CD GLN A 52 -6.319 2.977 -5.997 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.419 2.982 -7.213 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.252 3.442 -5.172 1.00 0.00 N ATOM 0 H GLN A 52 -1.461 1.572 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.902 0.283 -5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.104 2.929 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.234 2.545 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.319 1.459 -4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.791 3.092 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.104 3.407 -4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.116 3.833 -5.548 1.00 0.00 H new ATOM 837 N LYS A 53 -3.116 0.560 -8.657 1.00 0.00 N ATOM 838 CA LYS A 53 -3.356 -0.008 -9.973 1.00 0.00 C ATOM 839 C LYS A 53 -2.885 -1.463 -9.989 1.00 0.00 C ATOM 840 O LYS A 53 -3.469 -2.301 -10.675 1.00 0.00 O ATOM 841 CB LYS A 53 -2.713 0.859 -11.057 1.00 0.00 C ATOM 842 CG LYS A 53 -1.199 0.639 -11.108 1.00 0.00 C ATOM 843 CD LYS A 53 -0.526 1.671 -12.015 1.00 0.00 C ATOM 844 CE LYS A 53 0.154 0.993 -13.206 1.00 0.00 C ATOM 845 NZ LYS A 53 0.637 2.005 -14.172 1.00 0.00 N ATOM 0 H LYS A 53 -2.419 1.304 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.423 -0.015 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.152 0.621 -12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.925 1.910 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.784 0.707 -10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.986 -0.366 -11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.268 2.385 -12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.211 2.236 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.990 0.386 -12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.547 0.318 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.096 1.528 -14.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.167 2.567 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.322 2.632 -13.704 1.00 0.00 H new ATOM 859 N ALA A 54 -1.833 -1.719 -9.226 1.00 0.00 N ATOM 860 CA ALA A 54 -1.276 -3.059 -9.143 1.00 0.00 C ATOM 861 C ALA A 54 -2.415 -4.073 -9.013 1.00 0.00 C ATOM 862 O ALA A 54 -2.710 -4.805 -9.956 1.00 0.00 O ATOM 863 CB ALA A 54 -0.293 -3.133 -7.974 1.00 0.00 C ATOM 0 H ALA A 54 -1.351 -1.021 -8.659 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.721 -3.300 -10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.124 -4.138 -7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.512 -2.415 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.814 -2.899 -7.045 1.00 0.00 H new ATOM 869 N GLN A 55 -3.024 -4.082 -7.836 1.00 0.00 N ATOM 870 CA GLN A 55 -4.123 -4.994 -7.570 1.00 0.00 C ATOM 871 C GLN A 55 -3.598 -6.418 -7.377 1.00 0.00 C ATOM 872 O GLN A 55 -2.940 -6.966 -8.260 1.00 0.00 O ATOM 873 CB GLN A 55 -5.163 -4.941 -8.691 1.00 0.00 C ATOM 874 CG GLN A 55 -6.479 -5.585 -8.249 1.00 0.00 C ATOM 875 CD GLN A 55 -7.285 -6.069 -9.457 1.00 0.00 C ATOM 876 OE1 GLN A 55 -7.564 -5.330 -10.386 1.00 0.00 O ATOM 877 NE2 GLN A 55 -7.640 -7.349 -9.391 1.00 0.00 N ATOM 0 H GLN A 55 -2.777 -3.472 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.613 -4.681 -6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.340 -3.905 -8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.780 -5.456 -9.572 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.272 -6.424 -7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.067 -4.865 -7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.373 -7.911 -8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.179 -7.768 -10.148 1.00 0.00 H new ATOM 886 N LEU A 56 -3.908 -6.976 -6.216 1.00 0.00 N ATOM 887 CA LEU A 56 -3.475 -8.326 -5.896 1.00 0.00 C ATOM 888 C LEU A 56 -4.555 -9.319 -6.328 1.00 0.00 C ATOM 889 O LEU A 56 -5.746 -9.036 -6.212 1.00 0.00 O ATOM 890 CB LEU A 56 -3.099 -8.431 -4.416 1.00 0.00 C ATOM 891 CG LEU A 56 -2.884 -9.847 -3.878 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.218 -10.579 -3.710 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.910 -10.628 -4.763 1.00 0.00 C ATOM 0 H LEU A 56 -4.453 -6.518 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.570 -8.578 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.186 -7.859 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.883 -7.955 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.431 -9.771 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.036 -11.583 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.848 -10.031 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.721 -10.645 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.775 -11.631 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.311 -10.696 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.949 -10.114 -4.788 1.00 0.00 H new ATOM 905 N LYS A 57 -4.100 -10.463 -6.819 1.00 0.00 N ATOM 906 CA LYS A 57 -5.012 -11.500 -7.269 1.00 0.00 C ATOM 907 C LYS A 57 -4.716 -12.797 -6.514 1.00 0.00 C ATOM 908 O LYS A 57 -3.559 -13.108 -6.235 1.00 0.00 O ATOM 909 CB LYS A 57 -4.948 -11.647 -8.791 1.00 0.00 C ATOM 910 CG LYS A 57 -6.292 -12.112 -9.354 1.00 0.00 C ATOM 911 CD LYS A 57 -7.283 -10.950 -9.441 1.00 0.00 C ATOM 912 CE LYS A 57 -8.726 -11.457 -9.421 1.00 0.00 C ATOM 913 NZ LYS A 57 -9.428 -11.072 -10.665 1.00 0.00 N ATOM 0 H LYS A 57 -3.111 -10.694 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.042 -11.226 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.672 -10.693 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.171 -12.363 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.145 -12.544 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.703 -12.898 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.122 -10.267 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.105 -10.384 -10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.735 -12.542 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.250 -11.046 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.406 -11.424 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.436 -10.036 -10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.936 -11.485 -11.483 1.00 0.00 H new ATOM 927 N SER A 58 -5.782 -13.520 -6.203 1.00 0.00 N ATOM 928 CA SER A 58 -5.652 -14.777 -5.485 1.00 0.00 C ATOM 929 C SER A 58 -5.329 -15.907 -6.464 1.00 0.00 C ATOM 930 O SER A 58 -5.561 -15.779 -7.665 1.00 0.00 O ATOM 931 CB SER A 58 -6.926 -15.099 -4.703 1.00 0.00 C ATOM 932 OG SER A 58 -6.647 -15.468 -3.355 1.00 0.00 O ATOM 0 H SER A 58 -6.740 -13.259 -6.435 1.00 0.00 H new ATOM 0 HA SER A 58 -4.835 -14.680 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.586 -14.231 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.460 -15.910 -5.198 1.00 0.00 H new ATOM 0 HG SER A 58 -5.886 -16.086 -3.336 1.00 0.00 H new ATOM 938 N ALA A 59 -4.799 -16.990 -5.914 1.00 0.00 N ATOM 939 CA ALA A 59 -4.442 -18.143 -6.724 1.00 0.00 C ATOM 940 C ALA A 59 -5.718 -18.829 -7.216 1.00 0.00 C ATOM 941 O ALA A 59 -5.656 -19.756 -8.022 1.00 0.00 O ATOM 942 CB ALA A 59 -3.551 -19.083 -5.909 1.00 0.00 C ATOM 0 H ALA A 59 -4.608 -17.093 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.874 -17.835 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.283 -19.948 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.645 -18.556 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.089 -19.416 -5.021 1.00 0.00 H new ATOM 948 N ASN A 60 -6.844 -18.347 -6.711 1.00 0.00 N ATOM 949 CA ASN A 60 -8.132 -18.903 -7.090 1.00 0.00 C ATOM 950 C ASN A 60 -8.344 -20.231 -6.361 1.00 0.00 C ATOM 951 O ASN A 60 -9.179 -21.039 -6.765 1.00 0.00 O ATOM 952 CB ASN A 60 -8.194 -19.174 -8.595 1.00 0.00 C ATOM 953 CG ASN A 60 -7.575 -18.019 -9.386 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.853 -16.854 -9.153 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.723 -18.407 -10.331 1.00 0.00 N ATOM 0 H ASN A 60 -6.891 -17.578 -6.043 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.903 -18.181 -6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.666 -20.100 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.231 -19.314 -8.901 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.257 -17.712 -10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.536 -19.400 -10.473 1.00 0.00 H new ATOM 997 N ASN A 64 -8.932 -19.119 0.656 1.00 0.00 N ATOM 998 CA ASN A 64 -8.796 -17.733 1.071 1.00 0.00 C ATOM 999 C ASN A 64 -8.894 -16.825 -0.156 1.00 0.00 C ATOM 1000 O ASN A 64 -8.116 -15.883 -0.300 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.438 -17.488 1.733 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.953 -18.739 2.468 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -5.857 -19.230 2.254 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -7.827 -19.226 3.344 1.00 0.00 N ATOM 0 HA ASN A 64 -9.591 -17.515 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.708 -17.200 0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.516 -16.657 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.596 -20.059 3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.728 -18.766 3.475 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.856 -17.140 -1.011 1.00 0.00 N ATOM 1012 CA GLU A 65 -10.066 -16.365 -2.221 1.00 0.00 C ATOM 1013 C GLU A 65 -11.046 -15.220 -1.955 1.00 0.00 C ATOM 1014 O GLU A 65 -10.681 -14.050 -2.057 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.560 -17.255 -3.364 1.00 0.00 C ATOM 1016 CG GLU A 65 -9.841 -16.917 -4.672 1.00 0.00 C ATOM 1017 CD GLU A 65 -10.797 -17.013 -5.863 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -11.206 -18.153 -6.172 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.097 -15.944 -6.437 1.00 0.00 O ATOM 0 H GLU A 65 -10.499 -17.922 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.111 -15.937 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.392 -18.302 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.635 -17.126 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.426 -15.911 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.003 -17.599 -4.818 1.00 0.00 H new ATOM 1026 N ARG A 66 -12.270 -15.598 -1.619 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.305 -14.618 -1.338 1.00 0.00 C ATOM 1028 C ARG A 66 -12.891 -13.731 -0.162 1.00 0.00 C ATOM 1029 O ARG A 66 -13.392 -12.617 -0.013 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.635 -15.299 -1.009 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.707 -15.676 0.472 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.409 -17.022 0.662 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.639 -17.072 -0.161 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.387 -18.171 -0.327 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -17.035 -19.318 0.271 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.486 -18.124 -1.092 1.00 0.00 N ATOM 0 H ARG A 66 -12.569 -16.570 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.434 -14.007 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.460 -14.632 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.751 -16.193 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.701 -15.725 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.242 -14.902 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.739 -17.834 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.659 -17.166 1.713 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.935 -16.216 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.198 -19.354 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.605 -20.155 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.753 -17.252 -1.548 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.056 -18.961 -1.218 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.980 -14.258 0.642 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.492 -13.528 1.800 1.00 0.00 C ATOM 1052 C ILE A 67 -10.471 -12.483 1.346 1.00 0.00 C ATOM 1053 O ILE A 67 -10.535 -11.326 1.759 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.953 -14.495 2.856 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -11.141 -13.929 4.265 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.494 -14.858 2.574 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -9.993 -12.989 4.636 1.00 0.00 C ATOM 0 H ILE A 67 -11.567 -15.182 0.515 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.308 -12.989 2.281 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.531 -15.418 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.088 -13.392 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.194 -14.746 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.136 -15.546 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.420 -15.333 1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.885 -13.954 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.151 -12.601 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.050 -13.535 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.958 -12.160 3.929 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.552 -12.927 0.501 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.519 -12.045 -0.014 1.00 0.00 C ATOM 1071 C ILE A 68 -9.168 -10.774 -0.565 1.00 0.00 C ATOM 1072 O ILE A 68 -8.582 -9.695 -0.501 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.645 -12.780 -1.032 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.264 -13.086 -0.449 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.553 -11.997 -2.343 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.358 -14.132 0.664 1.00 0.00 C ATOM 0 H ILE A 68 -9.502 -13.887 0.160 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.846 -11.739 0.787 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.117 -13.735 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.604 -13.447 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.820 -12.171 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.926 -12.542 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.551 -11.874 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.117 -11.017 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.363 -14.331 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.999 -13.757 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.780 -15.054 0.263 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.371 -10.944 -1.095 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.106 -9.824 -1.658 1.00 0.00 C ATOM 1090 C ASN A 69 -11.374 -8.793 -0.560 1.00 0.00 C ATOM 1091 O ASN A 69 -11.739 -7.654 -0.848 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.455 -10.277 -2.220 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.266 -9.083 -2.728 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -12.742 -8.017 -3.005 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -14.570 -9.322 -2.834 1.00 0.00 N ATOM 0 H ASN A 69 -10.855 -11.841 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.506 -9.396 -2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.295 -10.985 -3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.018 -10.801 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.198 -8.589 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.942 -10.238 -2.585 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.183 -9.229 0.677 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.400 -8.357 1.819 1.00 0.00 C ATOM 1104 C VAL A 70 -10.192 -7.433 1.986 1.00 0.00 C ATOM 1105 O VAL A 70 -10.325 -6.317 2.488 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.689 -9.194 3.068 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.662 -10.332 2.752 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.394 -9.732 3.679 1.00 0.00 C ATOM 0 H VAL A 70 -10.881 -10.174 0.913 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.273 -7.725 1.657 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.162 -8.545 3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.850 -10.911 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.601 -9.917 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.229 -10.980 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.628 -10.323 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.880 -10.359 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.750 -8.898 3.959 1.00 0.00 H new ATOM 1118 N SER A 71 -9.042 -7.930 1.557 1.00 0.00 N ATOM 1119 CA SER A 71 -7.812 -7.163 1.652 1.00 0.00 C ATOM 1120 C SER A 71 -7.684 -6.227 0.448 1.00 0.00 C ATOM 1121 O SER A 71 -7.254 -5.083 0.589 1.00 0.00 O ATOM 1122 CB SER A 71 -6.593 -8.083 1.740 1.00 0.00 C ATOM 1123 OG SER A 71 -6.738 -9.064 2.763 1.00 0.00 O ATOM 0 H SER A 71 -8.936 -8.856 1.142 1.00 0.00 H new ATOM 0 HA SER A 71 -7.851 -6.568 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.443 -8.579 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.702 -7.486 1.933 1.00 0.00 H new ATOM 0 HG SER A 71 -6.092 -8.888 3.479 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.067 -6.747 -0.709 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.000 -5.973 -1.936 1.00 0.00 C ATOM 1131 C ILE A 72 -8.808 -4.684 -1.765 1.00 0.00 C ATOM 1132 O ILE A 72 -8.269 -3.587 -1.906 1.00 0.00 O ATOM 1133 CB ILE A 72 -8.443 -6.821 -3.130 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -7.575 -8.075 -3.263 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -8.455 -5.994 -4.417 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -7.948 -8.869 -4.516 1.00 0.00 C ATOM 0 H ILE A 72 -8.425 -7.695 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.971 -5.681 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.466 -7.153 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.524 -7.791 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.698 -8.702 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.773 -6.621 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.147 -5.159 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.453 -5.612 -4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.317 -9.755 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.993 -9.172 -4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.800 -8.247 -5.399 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.086 -4.860 -1.464 1.00 0.00 N ATOM 1149 CA LYS A 73 -10.972 -3.725 -1.272 1.00 0.00 C ATOM 1150 C LYS A 73 -10.243 -2.642 -0.474 1.00 0.00 C ATOM 1151 O LYS A 73 -10.284 -1.467 -0.834 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.289 -4.175 -0.637 1.00 0.00 C ATOM 1153 CG LYS A 73 -13.465 -3.942 -1.588 1.00 0.00 C ATOM 1154 CD LYS A 73 -14.786 -3.874 -0.821 1.00 0.00 C ATOM 1155 CE LYS A 73 -15.974 -3.783 -1.781 1.00 0.00 C ATOM 1156 NZ LYS A 73 -16.748 -5.044 -1.768 1.00 0.00 N ATOM 0 H LYS A 73 -10.529 -5.771 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.241 -3.286 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.230 -5.232 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.454 -3.629 0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.313 -3.014 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.508 -4.746 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.890 -4.757 -0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.782 -3.008 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.618 -2.951 -1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.618 -3.578 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.551 -4.966 -2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.135 -5.831 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.103 -5.223 -0.807 1.00 0.00 H new ATOM 1170 N LYS A 74 -9.592 -3.078 0.594 1.00 0.00 N ATOM 1171 CA LYS A 74 -8.854 -2.161 1.446 1.00 0.00 C ATOM 1172 C LYS A 74 -7.593 -1.696 0.716 1.00 0.00 C ATOM 1173 O LYS A 74 -7.438 -0.509 0.430 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.575 -2.801 2.808 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.650 -2.413 3.826 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.924 -3.234 3.617 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.989 -2.866 4.652 1.00 0.00 C ATOM 1178 NZ LYS A 74 -13.149 -3.779 4.549 1.00 0.00 N ATOM 0 H LYS A 74 -9.560 -4.054 0.889 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.449 -1.272 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.542 -3.886 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.596 -2.485 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.273 -2.571 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.878 -1.351 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.312 -3.061 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.692 -4.297 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.564 -2.920 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.314 -1.837 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.862 -3.515 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.564 -3.708 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.837 -4.757 4.718 1.00 0.00 H new ATOM 1192 N LEU A 75 -6.723 -2.654 0.435 1.00 0.00 N ATOM 1193 CA LEU A 75 -5.480 -2.358 -0.257 1.00 0.00 C ATOM 1194 C LEU A 75 -5.749 -1.342 -1.368 1.00 0.00 C ATOM 1195 O LEU A 75 -4.876 -0.546 -1.712 1.00 0.00 O ATOM 1196 CB LEU A 75 -4.820 -3.647 -0.750 1.00 0.00 C ATOM 1197 CG LEU A 75 -3.988 -3.529 -2.028 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -2.631 -4.217 -1.865 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.760 -4.064 -3.236 1.00 0.00 C ATOM 0 H LEU A 75 -6.854 -3.637 0.674 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.764 -1.902 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.178 -4.029 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.600 -4.391 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.793 -2.472 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.060 -4.118 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.082 -3.750 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.783 -5.273 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.146 -3.968 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.006 -5.114 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.679 -3.492 -3.363 1.00 0.00 H new ATOM 1211 N LYS A 76 -6.962 -1.401 -1.899 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.357 -0.496 -2.965 1.00 0.00 C ATOM 1213 C LYS A 76 -7.767 0.849 -2.360 1.00 0.00 C ATOM 1214 O LYS A 76 -8.854 1.352 -2.637 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.441 -1.134 -3.836 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.100 -1.000 -5.321 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.331 -0.587 -6.131 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.272 -1.159 -7.549 1.00 0.00 C ATOM 1219 NZ LYS A 76 -9.105 -0.072 -8.539 1.00 0.00 N ATOM 0 H LYS A 76 -7.684 -2.061 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.517 -0.304 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.547 -2.187 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.401 -0.658 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.310 -0.261 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.714 -1.948 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.234 -0.937 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.393 0.500 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.444 -1.863 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.185 -1.715 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.067 -0.477 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.909 0.584 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.222 0.442 -8.345 1.00 0.00 H new ATOM 1233 N ARG A 77 -6.874 1.391 -1.545 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.130 2.667 -0.899 1.00 0.00 C ATOM 1235 C ARG A 77 -6.861 3.818 -1.871 1.00 0.00 C ATOM 1236 O ARG A 77 -6.196 3.632 -2.889 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.251 2.842 0.342 1.00 0.00 C ATOM 1238 CG ARG A 77 -7.047 3.460 1.494 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.120 2.494 1.999 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.303 3.251 2.466 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.368 2.692 3.057 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.404 1.367 3.257 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.396 3.457 3.448 1.00 0.00 N ATOM 0 H ARG A 77 -5.973 0.970 -1.317 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.177 2.680 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.851 1.875 0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.399 3.478 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.372 3.718 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.514 4.387 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.408 1.808 1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.722 1.888 2.812 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.308 4.262 2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.621 0.785 2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.214 0.941 3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.368 4.465 3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.206 3.031 3.898 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.391 4.981 -1.522 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.217 6.162 -2.351 1.00 0.00 C ATOM 1259 C LYS A 78 -6.416 7.210 -1.576 1.00 0.00 C ATOM 1260 O LYS A 78 -6.576 7.348 -0.365 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.571 6.669 -2.853 1.00 0.00 C ATOM 1262 CG LYS A 78 -8.845 6.182 -4.277 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.090 7.360 -5.222 1.00 0.00 C ATOM 1264 CE LYS A 78 -9.971 6.943 -6.401 1.00 0.00 C ATOM 1265 NZ LYS A 78 -9.184 6.927 -7.655 1.00 0.00 N ATOM 0 H LYS A 78 -7.941 5.131 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.643 5.919 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.362 6.323 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.587 7.759 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.999 5.595 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.713 5.523 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.567 8.175 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.137 7.739 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.392 5.955 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.809 7.633 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.797 6.642 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.803 7.877 -7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.399 6.251 -7.564 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.549 7.941 -2.327 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.723 8.973 -1.724 1.00 0.00 C ATOM 1281 C PRO A 79 -5.551 10.219 -1.402 1.00 0.00 C ATOM 1282 O PRO A 79 -6.724 10.300 -1.762 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.621 9.237 -2.736 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.129 8.685 -4.058 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.334 7.806 -3.765 1.00 0.00 C ATOM 0 HA PRO A 79 -4.301 8.668 -0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.409 10.303 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.693 8.748 -2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.404 9.498 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.349 8.109 -4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.208 8.132 -4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.145 6.769 -4.042 1.00 0.00 H new ATOM 1628 N LYS A 102 8.645 -4.929 -12.505 1.00 0.00 N ATOM 1629 CA LYS A 102 7.551 -5.716 -11.960 1.00 0.00 C ATOM 1630 C LYS A 102 8.052 -6.509 -10.751 1.00 0.00 C ATOM 1631 O LYS A 102 9.243 -6.796 -10.643 1.00 0.00 O ATOM 1632 CB LYS A 102 6.923 -6.587 -13.050 1.00 0.00 C ATOM 1633 CG LYS A 102 5.770 -5.855 -13.740 1.00 0.00 C ATOM 1634 CD LYS A 102 6.283 -4.661 -14.548 1.00 0.00 C ATOM 1635 CE LYS A 102 6.376 -3.408 -13.674 1.00 0.00 C ATOM 1636 NZ LYS A 102 5.818 -2.237 -14.387 1.00 0.00 N ATOM 0 HA LYS A 102 6.752 -5.065 -11.605 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.680 -6.856 -13.786 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.559 -7.517 -12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.240 -6.543 -14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.054 -5.512 -12.993 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.264 -4.893 -14.964 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.616 -4.473 -15.390 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.833 -3.566 -12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.416 -3.218 -13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.889 -1.395 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.353 -2.077 -15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.820 -2.414 -14.618 1.00 0.00 H new ATOM 1650 N LYS A 103 7.117 -6.841 -9.873 1.00 0.00 N ATOM 1651 CA LYS A 103 7.448 -7.595 -8.676 1.00 0.00 C ATOM 1652 C LYS A 103 6.296 -8.545 -8.342 1.00 0.00 C ATOM 1653 O LYS A 103 5.182 -8.372 -8.834 1.00 0.00 O ATOM 1654 CB LYS A 103 7.816 -6.649 -7.531 1.00 0.00 C ATOM 1655 CG LYS A 103 9.288 -6.239 -7.610 1.00 0.00 C ATOM 1656 CD LYS A 103 10.055 -6.710 -6.373 1.00 0.00 C ATOM 1657 CE LYS A 103 11.530 -6.953 -6.702 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.388 -5.994 -5.971 1.00 0.00 N ATOM 0 H LYS A 103 6.130 -6.602 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 103 8.331 -8.211 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.185 -5.761 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.621 -7.136 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.740 -6.664 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.363 -5.155 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.973 -5.963 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.608 -7.628 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.805 -7.973 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.691 -6.850 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.386 -6.172 -6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.136 -5.023 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.246 -6.112 -4.947 1.00 0.00 H new ATOM 1672 N PRO A 104 6.613 -9.554 -7.487 1.00 0.00 N ATOM 1673 CA PRO A 104 5.617 -10.532 -7.082 1.00 0.00 C ATOM 1674 C PRO A 104 4.641 -9.933 -6.068 1.00 0.00 C ATOM 1675 O PRO A 104 4.810 -8.793 -5.637 1.00 0.00 O ATOM 1676 CB PRO A 104 6.416 -11.697 -6.521 1.00 0.00 C ATOM 1677 CG PRO A 104 7.795 -11.143 -6.204 1.00 0.00 C ATOM 1678 CD PRO A 104 7.922 -9.790 -6.886 1.00 0.00 C ATOM 0 HA PRO A 104 4.988 -10.859 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.942 -12.100 -5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.479 -12.511 -7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.927 -11.041 -5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.570 -11.823 -6.558 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.176 -9.008 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.708 -9.799 -7.641 1.00 0.00 H new ATOM 1686 N PRO A 105 3.614 -10.748 -5.708 1.00 0.00 N ATOM 1687 CA PRO A 105 2.611 -10.311 -4.752 1.00 0.00 C ATOM 1688 C PRO A 105 3.167 -10.324 -3.327 1.00 0.00 C ATOM 1689 O PRO A 105 3.172 -9.299 -2.649 1.00 0.00 O ATOM 1690 CB PRO A 105 1.443 -11.265 -4.943 1.00 0.00 C ATOM 1691 CG PRO A 105 2.010 -12.478 -5.663 1.00 0.00 C ATOM 1692 CD PRO A 105 3.382 -12.104 -6.198 1.00 0.00 C ATOM 0 HA PRO A 105 2.297 -9.280 -4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.009 -11.548 -3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.650 -10.799 -5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.084 -13.326 -4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.352 -12.780 -6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.148 -12.791 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.406 -12.141 -7.287 1.00 0.00 H new ATOM 1700 N LYS A 106 3.624 -11.498 -2.916 1.00 0.00 N ATOM 1701 CA LYS A 106 4.181 -11.659 -1.584 1.00 0.00 C ATOM 1702 C LYS A 106 5.017 -10.426 -1.233 1.00 0.00 C ATOM 1703 O LYS A 106 4.881 -9.869 -0.145 1.00 0.00 O ATOM 1704 CB LYS A 106 4.955 -12.975 -1.482 1.00 0.00 C ATOM 1705 CG LYS A 106 5.716 -13.265 -2.778 1.00 0.00 C ATOM 1706 CD LYS A 106 7.171 -13.639 -2.487 1.00 0.00 C ATOM 1707 CE LYS A 106 7.313 -15.144 -2.250 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.557 -15.436 -1.502 1.00 0.00 N ATOM 0 H LYS A 106 3.620 -12.346 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 106 3.384 -11.726 -0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.655 -12.926 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.265 -13.792 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.228 -14.078 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.684 -12.389 -3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.802 -13.338 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.522 -13.094 -1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.452 -15.513 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.324 -15.669 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.638 -16.462 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.377 -15.101 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.531 -14.950 -0.583 1.00 0.00 H new ATOM 1722 N GLU A 107 5.862 -10.036 -2.175 1.00 0.00 N ATOM 1723 CA GLU A 107 6.720 -8.879 -1.979 1.00 0.00 C ATOM 1724 C GLU A 107 5.909 -7.589 -2.114 1.00 0.00 C ATOM 1725 O GLU A 107 5.862 -6.781 -1.187 1.00 0.00 O ATOM 1726 CB GLU A 107 7.893 -8.894 -2.961 1.00 0.00 C ATOM 1727 CG GLU A 107 9.227 -9.004 -2.218 1.00 0.00 C ATOM 1728 CD GLU A 107 10.402 -8.985 -3.198 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.791 -10.088 -3.640 1.00 0.00 O ATOM 1730 OE2 GLU A 107 10.886 -7.868 -3.482 1.00 0.00 O ATOM 0 H GLU A 107 5.971 -10.500 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 107 7.132 -8.923 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.785 -9.732 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.881 -7.985 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.324 -8.179 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.249 -9.925 -1.636 1.00 0.00 H new ATOM 1737 N PHE A 108 5.290 -7.435 -3.276 1.00 0.00 N ATOM 1738 CA PHE A 108 4.484 -6.256 -3.544 1.00 0.00 C ATOM 1739 C PHE A 108 3.679 -5.850 -2.307 1.00 0.00 C ATOM 1740 O PHE A 108 3.502 -4.662 -2.041 1.00 0.00 O ATOM 1741 CB PHE A 108 3.515 -6.624 -4.670 1.00 0.00 C ATOM 1742 CG PHE A 108 2.393 -5.605 -4.882 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.656 -4.424 -5.503 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.133 -5.882 -4.452 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.615 -3.479 -5.700 1.00 0.00 C ATOM 1746 CE2 PHE A 108 0.092 -4.937 -4.649 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.355 -3.755 -5.269 1.00 0.00 C ATOM 0 H PHE A 108 5.331 -8.107 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 108 5.127 -5.419 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.076 -6.730 -5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.073 -7.596 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.656 -4.205 -5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.924 -6.821 -3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.824 -2.541 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.909 -5.156 -4.307 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.437 -3.036 -5.419 1.00 0.00 H new ATOM 1757 N LEU A 109 3.214 -6.859 -1.585 1.00 0.00 N ATOM 1758 CA LEU A 109 2.433 -6.621 -0.384 1.00 0.00 C ATOM 1759 C LEU A 109 3.372 -6.250 0.765 1.00 0.00 C ATOM 1760 O LEU A 109 3.190 -5.220 1.413 1.00 0.00 O ATOM 1761 CB LEU A 109 1.536 -7.824 -0.081 1.00 0.00 C ATOM 1762 CG LEU A 109 0.175 -7.838 -0.778 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.485 -6.459 -0.720 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.299 -8.354 -2.213 1.00 0.00 C ATOM 0 H LEU A 109 3.363 -7.843 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 109 1.758 -5.778 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.073 -8.731 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.371 -7.867 0.996 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.476 -8.529 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.451 -6.497 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.628 -6.168 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.154 -5.729 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.683 -8.354 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.973 -7.707 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.696 -9.369 -2.202 1.00 0.00 H new ATOM 1776 N GLU A 110 4.357 -7.109 0.984 1.00 0.00 N ATOM 1777 CA GLU A 110 5.325 -6.884 2.043 1.00 0.00 C ATOM 1778 C GLU A 110 6.018 -5.534 1.851 1.00 0.00 C ATOM 1779 O GLU A 110 6.514 -4.944 2.810 1.00 0.00 O ATOM 1780 CB GLU A 110 6.347 -8.022 2.103 1.00 0.00 C ATOM 1781 CG GLU A 110 6.666 -8.397 3.551 1.00 0.00 C ATOM 1782 CD GLU A 110 7.874 -7.613 4.068 1.00 0.00 C ATOM 1783 OE1 GLU A 110 7.665 -6.450 4.474 1.00 0.00 O ATOM 1784 OE2 GLU A 110 8.980 -8.196 4.044 1.00 0.00 O ATOM 0 H GLU A 110 4.505 -7.962 0.445 1.00 0.00 H new ATOM 0 HA GLU A 110 4.795 -6.866 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.958 -8.893 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.261 -7.722 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.800 -8.195 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.867 -9.466 3.618 1.00 0.00 H new ATOM 1791 N ARG A 111 6.031 -5.084 0.605 1.00 0.00 N ATOM 1792 CA ARG A 111 6.656 -3.814 0.274 1.00 0.00 C ATOM 1793 C ARG A 111 5.637 -2.678 0.381 1.00 0.00 C ATOM 1794 O ARG A 111 5.897 -1.664 1.028 1.00 0.00 O ATOM 1795 CB ARG A 111 7.237 -3.838 -1.141 1.00 0.00 C ATOM 1796 CG ARG A 111 8.597 -3.139 -1.187 1.00 0.00 C ATOM 1797 CD ARG A 111 9.738 -4.157 -1.134 1.00 0.00 C ATOM 1798 NE ARG A 111 10.574 -3.920 0.064 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.516 -2.971 0.147 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.748 -2.164 -0.897 1.00 0.00 N ATOM 1801 NH2 ARG A 111 12.225 -2.828 1.275 1.00 0.00 N ATOM 0 H ARG A 111 5.619 -5.576 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 111 7.466 -3.648 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.343 -4.869 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.548 -3.347 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.675 -2.547 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.683 -2.447 -0.349 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.333 -5.169 -1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.348 -4.079 -2.034 1.00 0.00 H new ATOM 0 HE ARG A 111 10.424 -4.517 0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.207 -2.272 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.465 -1.442 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.047 -3.442 2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.942 -2.106 1.338 1.00 0.00 H new ATOM 1815 N PHE A 112 4.497 -2.885 -0.263 1.00 0.00 N ATOM 1816 CA PHE A 112 3.438 -1.891 -0.249 1.00 0.00 C ATOM 1817 C PHE A 112 3.161 -1.405 1.175 1.00 0.00 C ATOM 1818 O PHE A 112 3.328 -0.223 1.475 1.00 0.00 O ATOM 1819 CB PHE A 112 2.181 -2.569 -0.797 1.00 0.00 C ATOM 1820 CG PHE A 112 0.912 -1.722 -0.672 1.00 0.00 C ATOM 1821 CD1 PHE A 112 1.000 -0.365 -0.649 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.303 -2.327 -0.584 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.177 0.420 -0.533 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.480 -1.541 -0.468 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.392 -0.184 -0.445 1.00 0.00 C ATOM 0 H PHE A 112 4.284 -3.727 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 112 3.729 -1.029 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.341 -2.813 -1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.030 -3.511 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.965 0.115 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.373 -3.405 -0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.107 1.498 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.445 -2.021 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.287 0.414 -0.357 1.00 0.00 H new ATOM 1835 N LYS A 113 2.744 -2.341 2.015 1.00 0.00 N ATOM 1836 CA LYS A 113 2.443 -2.022 3.401 1.00 0.00 C ATOM 1837 C LYS A 113 3.550 -1.132 3.967 1.00 0.00 C ATOM 1838 O LYS A 113 3.298 0.008 4.355 1.00 0.00 O ATOM 1839 CB LYS A 113 2.210 -3.302 4.206 1.00 0.00 C ATOM 1840 CG LYS A 113 2.302 -3.029 5.708 1.00 0.00 C ATOM 1841 CD LYS A 113 3.118 -4.114 6.414 1.00 0.00 C ATOM 1842 CE LYS A 113 4.270 -3.501 7.213 1.00 0.00 C ATOM 1843 NZ LYS A 113 5.307 -4.519 7.493 1.00 0.00 N ATOM 0 H LYS A 113 2.607 -3.320 1.763 1.00 0.00 H new ATOM 0 HA LYS A 113 1.514 -1.456 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.229 -3.713 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.948 -4.053 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.762 -2.055 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.300 -2.986 6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.471 -4.684 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.513 -4.814 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.707 -2.673 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.893 -3.091 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.081 -4.086 8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.890 -5.296 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.679 -4.891 6.596 1.00 0.00 H new ATOM 1857 N SER A 114 4.753 -1.686 3.998 1.00 0.00 N ATOM 1858 CA SER A 114 5.900 -0.956 4.511 1.00 0.00 C ATOM 1859 C SER A 114 5.881 0.482 3.991 1.00 0.00 C ATOM 1860 O SER A 114 6.018 1.428 4.766 1.00 0.00 O ATOM 1861 CB SER A 114 7.210 -1.644 4.120 1.00 0.00 C ATOM 1862 OG SER A 114 7.694 -2.497 5.154 1.00 0.00 O ATOM 0 H SER A 114 4.958 -2.632 3.676 1.00 0.00 H new ATOM 0 HA SER A 114 5.838 -0.943 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.057 -2.226 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.962 -0.889 3.891 1.00 0.00 H new ATOM 0 HG SER A 114 8.530 -2.919 4.866 1.00 0.00 H new ATOM 1868 N LEU A 115 5.708 0.603 2.683 1.00 0.00 N ATOM 1869 CA LEU A 115 5.669 1.910 2.050 1.00 0.00 C ATOM 1870 C LEU A 115 4.472 2.696 2.589 1.00 0.00 C ATOM 1871 O LEU A 115 4.544 3.914 2.746 1.00 0.00 O ATOM 1872 CB LEU A 115 5.677 1.769 0.527 1.00 0.00 C ATOM 1873 CG LEU A 115 6.220 2.967 -0.255 1.00 0.00 C ATOM 1874 CD1 LEU A 115 7.331 3.673 0.526 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.680 2.546 -1.652 1.00 0.00 C ATOM 0 H LEU A 115 5.593 -0.184 2.044 1.00 0.00 H new ATOM 0 HA LEU A 115 6.564 2.480 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.269 0.892 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.657 1.575 0.195 1.00 0.00 H new ATOM 0 HG LEU A 115 5.411 3.686 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.700 4.521 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.938 4.027 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.148 2.975 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.061 3.416 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.469 1.799 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.838 2.123 -2.200 1.00 0.00 H new ATOM 1887 N LEU A 116 3.398 1.968 2.857 1.00 0.00 N ATOM 1888 CA LEU A 116 2.187 2.582 3.375 1.00 0.00 C ATOM 1889 C LEU A 116 2.379 2.906 4.858 1.00 0.00 C ATOM 1890 O LEU A 116 1.773 3.844 5.375 1.00 0.00 O ATOM 1891 CB LEU A 116 0.973 1.695 3.091 1.00 0.00 C ATOM 1892 CG LEU A 116 -0.247 1.923 3.985 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.013 1.358 5.387 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.633 3.403 4.020 1.00 0.00 C ATOM 0 H LEU A 116 3.341 0.958 2.725 1.00 0.00 H new ATOM 0 HA LEU A 116 1.990 3.525 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.672 1.846 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.279 0.653 3.186 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.090 1.381 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.896 1.534 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.176 0.287 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.848 1.851 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.503 3.537 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.200 3.987 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.871 3.741 3.011 1.00 0.00 H new ATOM 1906 N GLN A 117 3.224 2.113 5.500 1.00 0.00 N ATOM 1907 CA GLN A 117 3.502 2.304 6.913 1.00 0.00 C ATOM 1908 C GLN A 117 4.791 3.108 7.096 1.00 0.00 C ATOM 1909 O GLN A 117 5.199 3.385 8.222 1.00 0.00 O ATOM 1910 CB GLN A 117 3.586 0.961 7.641 1.00 0.00 C ATOM 1911 CG GLN A 117 5.026 0.445 7.677 1.00 0.00 C ATOM 1912 CD GLN A 117 5.710 0.820 8.994 1.00 0.00 C ATOM 1913 OE1 GLN A 117 5.076 1.178 9.973 1.00 0.00 O ATOM 1914 NE2 GLN A 117 7.036 0.719 8.963 1.00 0.00 N ATOM 0 H GLN A 117 3.725 1.337 5.068 1.00 0.00 H new ATOM 0 HA GLN A 117 2.679 2.868 7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 117 3.210 1.071 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 117 2.947 0.232 7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.031 -0.638 7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.587 0.862 6.840 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.504 0.413 8.110 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.584 0.948 9.792 1.00 0.00 H new ATOM 1923 N LYS A 118 5.396 3.460 5.971 1.00 0.00 N ATOM 1924 CA LYS A 118 6.630 4.227 5.992 1.00 0.00 C ATOM 1925 C LYS A 118 6.309 5.707 5.779 1.00 0.00 C ATOM 1926 O LYS A 118 6.762 6.560 6.541 1.00 0.00 O ATOM 1927 CB LYS A 118 7.630 3.662 4.981 1.00 0.00 C ATOM 1928 CG LYS A 118 8.526 2.604 5.628 1.00 0.00 C ATOM 1929 CD LYS A 118 9.971 2.740 5.144 1.00 0.00 C ATOM 1930 CE LYS A 118 10.932 2.905 6.323 1.00 0.00 C ATOM 1931 NZ LYS A 118 10.616 4.136 7.080 1.00 0.00 N ATOM 0 H LYS A 118 5.054 3.228 5.038 1.00 0.00 H new ATOM 0 HA LYS A 118 7.114 4.143 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.093 3.224 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 118 8.244 4.469 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.491 2.706 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.151 1.609 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.248 1.859 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.056 3.599 4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.862 2.039 6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.959 2.948 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.483 4.504 7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.227 4.851 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.916 3.920 7.818 1.00 0.00 H new ATOM 1945 N MET A 119 5.530 5.967 4.739 1.00 0.00 N ATOM 1946 CA MET A 119 5.143 7.330 4.416 1.00 0.00 C ATOM 1947 C MET A 119 3.823 7.701 5.094 1.00 0.00 C ATOM 1948 O MET A 119 3.811 8.447 6.072 1.00 0.00 O ATOM 1949 CB MET A 119 4.997 7.473 2.900 1.00 0.00 C ATOM 1950 CG MET A 119 4.511 8.875 2.526 1.00 0.00 C ATOM 1951 SD MET A 119 5.883 10.017 2.528 1.00 0.00 S ATOM 1952 CE MET A 119 5.132 11.401 3.370 1.00 0.00 C ATOM 0 H MET A 119 5.156 5.257 4.109 1.00 0.00 H new ATOM 0 HA MET A 119 5.918 8.004 4.781 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.955 7.276 2.419 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.293 6.729 2.527 1.00 0.00 H new ATOM 0 HG2 MET A 119 4.044 8.856 1.541 1.00 0.00 H new ATOM 0 HG3 MET A 119 3.751 9.206 3.233 1.00 0.00 H new ATOM 0 HE1 MET A 119 5.908 12.094 3.694 1.00 0.00 H new ATOM 0 HE2 MET A 119 4.449 11.912 2.692 1.00 0.00 H new ATOM 0 HE3 MET A 119 4.580 11.042 4.239 1.00 0.00 H new ATOM 1962 N ILE A 120 2.742 7.162 4.548 1.00 0.00 N ATOM 1963 CA ILE A 120 1.420 7.427 5.088 1.00 0.00 C ATOM 1964 C ILE A 120 1.493 7.450 6.616 1.00 0.00 C ATOM 1965 O ILE A 120 0.941 8.346 7.254 1.00 0.00 O ATOM 1966 CB ILE A 120 0.405 6.424 4.536 1.00 0.00 C ATOM 1967 CG1 ILE A 120 -0.053 6.824 3.132 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.773 6.251 5.496 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.142 7.175 2.244 1.00 0.00 C ATOM 0 H ILE A 120 2.755 6.543 3.737 1.00 0.00 H new ATOM 0 HA ILE A 120 1.069 8.409 4.770 1.00 0.00 H new ATOM 0 HB ILE A 120 0.895 5.454 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.616 6.006 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.727 7.678 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.479 5.533 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.409 5.887 6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.271 7.210 5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.788 7.456 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.689 8.009 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.801 6.311 2.163 1.00 0.00 H new ATOM 1981 N HIS A 121 2.178 6.455 7.159 1.00 0.00 N ATOM 1982 CA HIS A 121 2.330 6.350 8.600 1.00 0.00 C ATOM 1983 C HIS A 121 2.886 7.663 9.155 1.00 0.00 C ATOM 1984 O HIS A 121 2.173 8.409 9.825 1.00 0.00 O ATOM 1985 CB HIS A 121 3.190 5.139 8.969 1.00 0.00 C ATOM 1986 CG HIS A 121 3.585 5.088 10.426 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.005 5.894 11.389 1.00 0.00 N ATOM 1988 CD2 HIS A 121 4.507 4.317 11.072 1.00 0.00 C ATOM 1989 CE1 HIS A 121 3.561 5.615 12.559 1.00 0.00 C ATOM 1990 NE2 HIS A 121 4.492 4.638 12.360 1.00 0.00 N ATOM 0 H HIS A 121 2.634 5.714 6.627 1.00 0.00 H new ATOM 0 HA HIS A 121 1.356 6.185 9.061 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.645 4.229 8.719 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.093 5.148 8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.141 3.572 10.614 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.320 6.079 13.504 1.00 0.00 H new ATOM 0 HE2 HIS A 121 5.080 4.222 13.082 1.00 0.00 H new ATOM 1998 N GLN A 122 4.153 7.905 8.855 1.00 0.00 N ATOM 1999 CA GLN A 122 4.813 9.115 9.315 1.00 0.00 C ATOM 2000 C GLN A 122 3.928 10.335 9.052 1.00 0.00 C ATOM 2001 O GLN A 122 3.962 11.306 9.806 1.00 0.00 O ATOM 2002 CB GLN A 122 6.183 9.279 8.653 1.00 0.00 C ATOM 2003 CG GLN A 122 6.042 9.475 7.142 1.00 0.00 C ATOM 2004 CD GLN A 122 7.318 10.072 6.545 1.00 0.00 C ATOM 2005 OE1 GLN A 122 7.364 11.220 6.135 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.348 9.231 6.520 1.00 0.00 N ATOM 0 H GLN A 122 4.741 7.284 8.299 1.00 0.00 H new ATOM 0 HA GLN A 122 4.973 9.031 10.390 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.701 10.134 9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 122 6.795 8.400 8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.827 8.518 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 122 5.197 10.132 6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.241 8.283 6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.245 9.534 6.141 1.00 0.00 H new