USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=11 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 122 GLN : amide:sc= -2.87 K(o=-2.9,f=-1) USER MOD Set 2.1: A 114 SER OG : rot 180:sc= 0.33 USER MOD Set 2.2: A 118 LYS NZ :NH3+ -161:sc= 0.249 (180deg=-0.175) USER MOD Set 3.1: A 58 SER OG : rot 51:sc= 0.305 USER MOD Set 3.2: A 60 ASN : amide:sc= -4.09! C(o=-3.8!,f=-14!) USER MOD Single : A 11 MET CE :methyl 157:sc= -0.0913 (180deg=-1.24) USER MOD Single : A 13 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.6!) USER MOD Single : A 20 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.19) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.48!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.827 K(o=-0.83,f=-3.9!) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 46 SER OG : rot -40:sc= 1.13 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.03 K(o=-1,f=-4.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00267 K(o=-0.0027,f=-0.98) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -4.47! C(o=-4.5!,f=-4.4!) USER MOD Single : A 69 ASN : amide:sc= -0.0826 K(o=-0.083,f=-1.7!) USER MOD Single : A 71 SER OG : rot -112:sc= -0.108 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 117 GLN : amide:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.465 3.758 7.240 1.00 0.00 N ATOM 173 CA MET A 11 -3.081 3.347 7.404 1.00 0.00 C ATOM 174 C MET A 11 -2.994 1.929 7.971 1.00 0.00 C ATOM 175 O MET A 11 -2.594 1.000 7.271 1.00 0.00 O ATOM 176 CB MET A 11 -2.368 4.319 8.346 1.00 0.00 C ATOM 177 CG MET A 11 -2.270 5.713 7.723 1.00 0.00 C ATOM 178 SD MET A 11 -2.285 6.956 9.004 1.00 0.00 S ATOM 179 CE MET A 11 -1.149 6.218 10.166 1.00 0.00 C ATOM 0 HA MET A 11 -2.600 3.357 6.426 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.907 4.376 9.292 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.369 3.946 8.571 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.355 5.795 7.136 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.103 5.874 7.039 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.726 6.994 10.804 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.679 5.491 10.781 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.347 5.718 9.623 1.00 0.00 H new ATOM 189 N ARG A 12 -3.375 1.807 9.234 1.00 0.00 N ATOM 190 CA ARG A 12 -3.344 0.518 9.904 1.00 0.00 C ATOM 191 C ARG A 12 -4.030 -0.544 9.042 1.00 0.00 C ATOM 192 O ARG A 12 -3.529 -1.660 8.910 1.00 0.00 O ATOM 193 CB ARG A 12 -4.039 0.587 11.265 1.00 0.00 C ATOM 194 CG ARG A 12 -5.514 0.964 11.109 1.00 0.00 C ATOM 195 CD ARG A 12 -6.099 1.451 12.436 1.00 0.00 C ATOM 196 NE ARG A 12 -7.299 0.658 12.783 1.00 0.00 N ATOM 197 CZ ARG A 12 -7.261 -0.523 13.416 1.00 0.00 C ATOM 198 NH1 ARG A 12 -6.084 -1.054 13.775 1.00 0.00 N ATOM 199 NH2 ARG A 12 -8.401 -1.173 13.689 1.00 0.00 N ATOM 0 H ARG A 12 -3.707 2.580 9.811 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.299 0.249 10.056 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.957 -0.376 11.768 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.537 1.320 11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.616 1.744 10.355 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.078 0.101 10.754 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.353 1.362 13.226 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.360 2.507 12.362 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.212 1.033 12.525 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.217 -0.559 13.567 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.056 -1.953 14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.297 -0.769 13.415 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.373 -2.072 14.171 1.00 0.00 H new ATOM 213 N GLN A 13 -5.166 -0.160 8.479 1.00 0.00 N ATOM 214 CA GLN A 13 -5.926 -1.065 7.634 1.00 0.00 C ATOM 215 C GLN A 13 -5.057 -1.570 6.480 1.00 0.00 C ATOM 216 O GLN A 13 -5.008 -2.770 6.214 1.00 0.00 O ATOM 217 CB GLN A 13 -7.195 -0.390 7.110 1.00 0.00 C ATOM 218 CG GLN A 13 -8.330 -0.488 8.131 1.00 0.00 C ATOM 219 CD GLN A 13 -9.020 -1.852 8.056 1.00 0.00 C ATOM 220 OE1 GLN A 13 -8.414 -2.866 7.751 1.00 0.00 O ATOM 221 NE2 GLN A 13 -10.317 -1.819 8.349 1.00 0.00 N ATOM 0 H GLN A 13 -5.579 0.766 8.592 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.231 -1.922 8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.989 0.657 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.501 -0.859 6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.935 -0.331 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.058 0.302 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.762 -0.935 8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.867 -2.678 8.326 1.00 0.00 H new ATOM 230 N LEU A 14 -4.393 -0.628 5.826 1.00 0.00 N ATOM 231 CA LEU A 14 -3.529 -0.962 4.707 1.00 0.00 C ATOM 232 C LEU A 14 -2.522 -2.027 5.146 1.00 0.00 C ATOM 233 O LEU A 14 -2.343 -3.036 4.464 1.00 0.00 O ATOM 234 CB LEU A 14 -2.879 0.300 4.136 1.00 0.00 C ATOM 235 CG LEU A 14 -3.638 0.992 3.002 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.378 0.297 1.664 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.132 1.084 3.319 1.00 0.00 C ATOM 0 H LEU A 14 -4.436 0.366 6.050 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.111 -1.390 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.747 1.016 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.884 0.040 3.775 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.264 2.012 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.929 0.809 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.312 0.327 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.708 -0.740 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.648 1.580 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.538 0.081 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.275 1.657 4.235 1.00 0.00 H new ATOM 249 N ILE A 15 -1.891 -1.767 6.281 1.00 0.00 N ATOM 250 CA ILE A 15 -0.907 -2.691 6.819 1.00 0.00 C ATOM 251 C ILE A 15 -1.616 -3.954 7.311 1.00 0.00 C ATOM 252 O ILE A 15 -1.025 -5.034 7.332 1.00 0.00 O ATOM 253 CB ILE A 15 -0.058 -2.005 7.891 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.774 -0.870 7.289 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.812 -3.021 8.635 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.051 0.471 7.427 1.00 0.00 C ATOM 0 H ILE A 15 -2.042 -0.930 6.843 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.208 -2.999 6.041 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.730 -1.558 8.624 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.742 -0.819 7.788 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.969 -1.076 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.405 -2.507 9.391 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.174 -3.763 9.116 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.477 -3.518 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.663 1.261 6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.905 0.424 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.121 0.685 8.482 1.00 0.00 H new ATOM 268 N ASP A 16 -2.871 -3.778 7.696 1.00 0.00 N ATOM 269 CA ASP A 16 -3.667 -4.891 8.187 1.00 0.00 C ATOM 270 C ASP A 16 -3.975 -5.842 7.028 1.00 0.00 C ATOM 271 O ASP A 16 -3.533 -6.990 7.028 1.00 0.00 O ATOM 272 CB ASP A 16 -4.996 -4.404 8.766 1.00 0.00 C ATOM 273 CG ASP A 16 -5.390 -5.036 10.103 1.00 0.00 C ATOM 274 OD1 ASP A 16 -4.467 -5.514 10.797 1.00 0.00 O ATOM 275 OD2 ASP A 16 -6.604 -5.026 10.399 1.00 0.00 O ATOM 0 H ASP A 16 -3.357 -2.881 7.678 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.097 -5.395 8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.945 -3.323 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.785 -4.602 8.041 1.00 0.00 H new ATOM 280 N ILE A 17 -4.731 -5.329 6.069 1.00 0.00 N ATOM 281 CA ILE A 17 -5.104 -6.118 4.907 1.00 0.00 C ATOM 282 C ILE A 17 -3.856 -6.793 4.333 1.00 0.00 C ATOM 283 O ILE A 17 -3.881 -7.980 4.010 1.00 0.00 O ATOM 284 CB ILE A 17 -5.858 -5.256 3.893 1.00 0.00 C ATOM 285 CG1 ILE A 17 -5.135 -3.928 3.658 1.00 0.00 C ATOM 286 CG2 ILE A 17 -7.312 -5.049 4.323 1.00 0.00 C ATOM 287 CD1 ILE A 17 -4.533 -3.873 2.252 1.00 0.00 C ATOM 0 H ILE A 17 -5.096 -4.376 6.073 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.795 -6.912 5.191 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.876 -5.786 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.833 -3.101 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.347 -3.803 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.826 -4.433 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.810 -6.016 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.337 -4.551 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.025 -2.919 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.818 -4.687 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.327 -3.974 1.512 1.00 0.00 H new ATOM 299 N VAL A 18 -2.795 -6.008 4.224 1.00 0.00 N ATOM 300 CA VAL A 18 -1.540 -6.515 3.694 1.00 0.00 C ATOM 301 C VAL A 18 -1.139 -7.775 4.464 1.00 0.00 C ATOM 302 O VAL A 18 -0.967 -8.839 3.872 1.00 0.00 O ATOM 303 CB VAL A 18 -0.472 -5.420 3.741 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.912 -5.991 3.427 1.00 0.00 C ATOM 305 CG2 VAL A 18 -0.821 -4.273 2.790 1.00 0.00 C ATOM 0 H VAL A 18 -2.778 -5.024 4.494 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.653 -6.796 2.647 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.447 -5.019 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.653 -5.192 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.164 -6.757 4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.906 -6.431 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.046 -3.508 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.887 -4.653 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.779 -3.840 3.079 1.00 0.00 H new ATOM 315 N ASP A 19 -1.001 -7.612 5.772 1.00 0.00 N ATOM 316 CA ASP A 19 -0.623 -8.723 6.628 1.00 0.00 C ATOM 317 C ASP A 19 -1.710 -9.799 6.570 1.00 0.00 C ATOM 318 O ASP A 19 -1.415 -10.990 6.659 1.00 0.00 O ATOM 319 CB ASP A 19 -0.481 -8.273 8.084 1.00 0.00 C ATOM 320 CG ASP A 19 0.056 -9.339 9.041 1.00 0.00 C ATOM 321 OD1 ASP A 19 1.296 -9.400 9.183 1.00 0.00 O ATOM 322 OD2 ASP A 19 -0.786 -10.068 9.608 1.00 0.00 O ATOM 0 H ASP A 19 -1.144 -6.727 6.259 1.00 0.00 H new ATOM 0 HA ASP A 19 0.333 -9.111 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.182 -7.408 8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.456 -7.942 8.443 1.00 0.00 H new ATOM 327 N GLN A 20 -2.944 -9.340 6.421 1.00 0.00 N ATOM 328 CA GLN A 20 -4.076 -10.249 6.350 1.00 0.00 C ATOM 329 C GLN A 20 -3.966 -11.138 5.110 1.00 0.00 C ATOM 330 O GLN A 20 -3.975 -12.363 5.218 1.00 0.00 O ATOM 331 CB GLN A 20 -5.398 -9.479 6.358 1.00 0.00 C ATOM 332 CG GLN A 20 -6.400 -10.119 7.321 1.00 0.00 C ATOM 333 CD GLN A 20 -5.921 -10.000 8.769 1.00 0.00 C ATOM 334 OE1 GLN A 20 -5.786 -8.919 9.319 1.00 0.00 O ATOM 335 NE2 GLN A 20 -5.673 -11.168 9.354 1.00 0.00 N ATOM 0 H GLN A 20 -3.185 -8.352 6.348 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.060 -10.888 7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.218 -8.444 6.649 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.817 -9.459 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.371 -9.636 7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.536 -11.170 7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.807 -12.036 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.349 -11.196 10.321 1.00 0.00 H new ATOM 344 N LEU A 21 -3.865 -10.486 3.961 1.00 0.00 N ATOM 345 CA LEU A 21 -3.753 -11.202 2.702 1.00 0.00 C ATOM 346 C LEU A 21 -2.456 -12.014 2.695 1.00 0.00 C ATOM 347 O LEU A 21 -2.414 -13.119 2.157 1.00 0.00 O ATOM 348 CB LEU A 21 -3.880 -10.236 1.523 1.00 0.00 C ATOM 349 CG LEU A 21 -3.220 -10.681 0.216 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.695 -10.652 0.334 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.735 -12.055 -0.218 1.00 0.00 C ATOM 0 H LEU A 21 -3.858 -9.470 3.876 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.574 -11.911 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.939 -10.065 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.450 -9.278 1.816 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.496 -9.972 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.251 -10.973 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.367 -9.638 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.379 -11.325 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.250 -12.348 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.509 -12.789 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.813 -12.008 -0.370 1.00 0.00 H new ATOM 363 N LYS A 22 -1.429 -11.434 3.298 1.00 0.00 N ATOM 364 CA LYS A 22 -0.134 -12.089 3.368 1.00 0.00 C ATOM 365 C LYS A 22 -0.299 -13.466 4.015 1.00 0.00 C ATOM 366 O LYS A 22 0.168 -14.469 3.477 1.00 0.00 O ATOM 367 CB LYS A 22 0.882 -11.194 4.079 1.00 0.00 C ATOM 368 CG LYS A 22 1.647 -10.329 3.075 1.00 0.00 C ATOM 369 CD LYS A 22 3.046 -9.992 3.596 1.00 0.00 C ATOM 370 CE LYS A 22 2.977 -8.959 4.723 1.00 0.00 C ATOM 371 NZ LYS A 22 3.665 -9.465 5.932 1.00 0.00 N ATOM 0 H LYS A 22 -1.467 -10.517 3.743 1.00 0.00 H new ATOM 0 HA LYS A 22 0.265 -12.251 2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.369 -10.555 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.583 -11.810 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.726 -10.854 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.094 -9.409 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.531 -10.898 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.658 -9.606 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.438 -8.026 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.936 -8.735 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.609 -8.752 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.207 -10.343 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.663 -9.656 5.709 1.00 0.00 H new ATOM 385 N ASN A 23 -0.964 -13.470 5.161 1.00 0.00 N ATOM 386 CA ASN A 23 -1.196 -14.707 5.887 1.00 0.00 C ATOM 387 C ASN A 23 -1.819 -15.738 4.943 1.00 0.00 C ATOM 388 O ASN A 23 -1.748 -16.940 5.197 1.00 0.00 O ATOM 389 CB ASN A 23 -2.163 -14.489 7.053 1.00 0.00 C ATOM 390 CG ASN A 23 -2.048 -15.618 8.079 1.00 0.00 C ATOM 391 OD1 ASN A 23 -0.972 -15.970 8.534 1.00 0.00 O ATOM 392 ND2 ASN A 23 -3.213 -16.163 8.417 1.00 0.00 N ATOM 0 H ASN A 23 -1.349 -12.636 5.605 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.238 -15.056 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.950 -13.534 7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.185 -14.437 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.242 -16.924 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.077 -15.820 7.998 1.00 0.00 H new ATOM 399 N TYR A 24 -2.416 -15.231 3.875 1.00 0.00 N ATOM 400 CA TYR A 24 -3.050 -16.093 2.892 1.00 0.00 C ATOM 401 C TYR A 24 -2.238 -16.138 1.596 1.00 0.00 C ATOM 402 O TYR A 24 -2.803 -16.251 0.509 1.00 0.00 O ATOM 403 CB TYR A 24 -4.416 -15.467 2.602 1.00 0.00 C ATOM 404 CG TYR A 24 -5.396 -15.541 3.775 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.623 -16.745 4.410 1.00 0.00 C ATOM 406 CD2 TYR A 24 -6.052 -14.403 4.199 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.545 -16.814 5.514 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.974 -14.472 5.303 1.00 0.00 C ATOM 409 CZ TYR A 24 -7.175 -15.674 5.906 1.00 0.00 C ATOM 410 OH TYR A 24 -8.046 -15.739 6.948 1.00 0.00 O ATOM 0 H TYR A 24 -2.474 -14.234 3.669 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.128 -17.113 3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.274 -14.422 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.858 -15.967 1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.109 -17.635 4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.874 -13.461 3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.732 -17.750 6.019 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.494 -13.589 5.644 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.420 -14.849 7.118 1.00 0.00 H new ATOM 420 N VAL A 25 -0.926 -16.047 1.754 1.00 0.00 N ATOM 421 CA VAL A 25 -0.030 -16.076 0.610 1.00 0.00 C ATOM 422 C VAL A 25 -0.381 -17.272 -0.276 1.00 0.00 C ATOM 423 O VAL A 25 -0.258 -17.201 -1.498 1.00 0.00 O ATOM 424 CB VAL A 25 1.424 -16.089 1.085 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.279 -17.002 0.204 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.000 -14.672 1.128 1.00 0.00 C ATOM 0 H VAL A 25 -0.461 -15.953 2.657 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.152 -15.177 0.006 1.00 0.00 H new ATOM 0 HB VAL A 25 1.442 -16.488 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.308 -16.994 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.888 -18.019 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.251 -16.645 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.035 -14.710 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.962 -14.234 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.414 -14.062 1.815 1.00 0.00 H new ATOM 436 N ASN A 26 -0.811 -18.344 0.374 1.00 0.00 N ATOM 437 CA ASN A 26 -1.181 -19.554 -0.340 1.00 0.00 C ATOM 438 C ASN A 26 -2.247 -19.219 -1.385 1.00 0.00 C ATOM 439 O ASN A 26 -2.470 -19.989 -2.318 1.00 0.00 O ATOM 440 CB ASN A 26 -1.764 -20.599 0.612 1.00 0.00 C ATOM 441 CG ASN A 26 -1.799 -21.981 -0.044 1.00 0.00 C ATOM 442 OD1 ASN A 26 -2.046 -22.127 -1.230 1.00 0.00 O ATOM 443 ND2 ASN A 26 -1.538 -22.983 0.790 1.00 0.00 N ATOM 0 H ASN A 26 -0.911 -18.399 1.388 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.283 -19.956 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.166 -20.640 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.772 -20.306 0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.537 -23.944 0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.339 -22.791 1.772 1.00 0.00 H new ATOM 450 N ASP A 27 -2.877 -18.070 -1.193 1.00 0.00 N ATOM 451 CA ASP A 27 -3.915 -17.623 -2.108 1.00 0.00 C ATOM 452 C ASP A 27 -3.440 -16.365 -2.836 1.00 0.00 C ATOM 453 O ASP A 27 -4.211 -15.425 -3.027 1.00 0.00 O ATOM 454 CB ASP A 27 -5.201 -17.277 -1.354 1.00 0.00 C ATOM 455 CG ASP A 27 -5.939 -18.473 -0.750 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.354 -19.101 0.159 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.071 -18.733 -1.211 1.00 0.00 O ATOM 0 H ASP A 27 -2.689 -17.434 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.116 -18.431 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.958 -16.578 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.876 -16.760 -2.036 1.00 0.00 H new ATOM 462 N LEU A 28 -2.173 -16.386 -3.224 1.00 0.00 N ATOM 463 CA LEU A 28 -1.586 -15.259 -3.927 1.00 0.00 C ATOM 464 C LEU A 28 -1.049 -15.730 -5.280 1.00 0.00 C ATOM 465 O LEU A 28 -0.153 -16.572 -5.337 1.00 0.00 O ATOM 466 CB LEU A 28 -0.535 -14.571 -3.054 1.00 0.00 C ATOM 467 CG LEU A 28 -1.067 -13.574 -2.022 1.00 0.00 C ATOM 468 CD1 LEU A 28 0.081 -12.858 -1.308 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.046 -12.589 -2.665 1.00 0.00 C ATOM 0 H LEU A 28 -1.537 -17.167 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.343 -14.502 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.031 -15.340 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.165 -14.049 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.620 -14.129 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.325 -12.155 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.705 -13.591 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.683 -12.317 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.409 -11.892 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.539 -12.036 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.888 -13.137 -3.088 1.00 0.00 H new ATOM 481 N VAL A 29 -1.618 -15.168 -6.335 1.00 0.00 N ATOM 482 CA VAL A 29 -1.208 -15.520 -7.684 1.00 0.00 C ATOM 483 C VAL A 29 -0.013 -14.655 -8.091 1.00 0.00 C ATOM 484 O VAL A 29 -0.052 -13.434 -7.954 1.00 0.00 O ATOM 485 CB VAL A 29 -2.393 -15.392 -8.642 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.469 -13.984 -9.236 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.323 -16.450 -9.746 1.00 0.00 C ATOM 0 H VAL A 29 -2.360 -14.471 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.886 -16.560 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.305 -15.564 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.320 -13.920 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.589 -13.256 -8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.552 -13.771 -9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.177 -16.337 -10.413 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.401 -16.324 -10.313 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.341 -17.444 -9.299 1.00 0.00 H new ATOM 497 N PRO A 30 1.047 -15.341 -8.598 1.00 0.00 N ATOM 498 CA PRO A 30 2.250 -14.648 -9.026 1.00 0.00 C ATOM 499 C PRO A 30 2.027 -13.937 -10.362 1.00 0.00 C ATOM 500 O PRO A 30 1.880 -14.585 -11.397 1.00 0.00 O ATOM 501 CB PRO A 30 3.320 -15.726 -9.097 1.00 0.00 C ATOM 502 CG PRO A 30 2.575 -17.049 -9.159 1.00 0.00 C ATOM 503 CD PRO A 30 1.127 -16.788 -8.775 1.00 0.00 C ATOM 0 HA PRO A 30 2.547 -13.856 -8.339 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.952 -15.592 -9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.973 -15.686 -8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.633 -17.473 -10.161 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.025 -17.773 -8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.443 -17.131 -9.552 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.859 -17.315 -7.859 1.00 0.00 H new ATOM 511 N GLU A 31 2.010 -12.614 -10.297 1.00 0.00 N ATOM 512 CA GLU A 31 1.807 -11.808 -11.489 1.00 0.00 C ATOM 513 C GLU A 31 2.656 -10.537 -11.421 1.00 0.00 C ATOM 514 O GLU A 31 3.088 -10.132 -10.343 1.00 0.00 O ATOM 515 CB GLU A 31 0.327 -11.469 -11.676 1.00 0.00 C ATOM 516 CG GLU A 31 -0.359 -12.492 -12.584 1.00 0.00 C ATOM 517 CD GLU A 31 -0.933 -11.819 -13.833 1.00 0.00 C ATOM 518 OE1 GLU A 31 -1.860 -10.999 -13.660 1.00 0.00 O ATOM 519 OE2 GLU A 31 -0.431 -12.140 -14.932 1.00 0.00 O ATOM 0 H GLU A 31 2.134 -12.080 -9.437 1.00 0.00 H new ATOM 0 HA GLU A 31 2.125 -12.388 -12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.170 -11.447 -10.706 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.230 -10.472 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.356 -13.261 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.158 -12.992 -12.036 1.00 0.00 H new ATOM 526 N PHE A 32 2.871 -9.944 -12.586 1.00 0.00 N ATOM 527 CA PHE A 32 3.661 -8.728 -12.672 1.00 0.00 C ATOM 528 C PHE A 32 2.949 -7.562 -11.983 1.00 0.00 C ATOM 529 O PHE A 32 2.072 -6.931 -12.571 1.00 0.00 O ATOM 530 CB PHE A 32 3.823 -8.404 -14.159 1.00 0.00 C ATOM 531 CG PHE A 32 4.544 -9.492 -14.957 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.859 -9.748 -14.724 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.870 -10.204 -15.900 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.528 -10.758 -15.466 1.00 0.00 C ATOM 535 CE2 PHE A 32 4.539 -11.213 -16.641 1.00 0.00 C ATOM 536 CZ PHE A 32 5.854 -11.469 -16.408 1.00 0.00 C ATOM 0 H PHE A 32 2.512 -10.283 -13.478 1.00 0.00 H new ATOM 0 HA PHE A 32 4.623 -8.873 -12.180 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.837 -8.241 -14.595 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.374 -7.469 -14.259 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.395 -9.184 -13.975 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.825 -10.001 -16.085 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.573 -10.961 -15.281 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.004 -11.778 -17.390 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.363 -12.237 -16.971 1.00 0.00 H new ATOM 546 N LEU A 33 3.353 -7.311 -10.747 1.00 0.00 N ATOM 547 CA LEU A 33 2.765 -6.232 -9.972 1.00 0.00 C ATOM 548 C LEU A 33 3.805 -5.127 -9.773 1.00 0.00 C ATOM 549 O LEU A 33 4.962 -5.407 -9.464 1.00 0.00 O ATOM 550 CB LEU A 33 2.181 -6.768 -8.664 1.00 0.00 C ATOM 551 CG LEU A 33 0.654 -6.841 -8.592 1.00 0.00 C ATOM 552 CD1 LEU A 33 0.062 -7.276 -9.934 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.202 -7.748 -7.445 1.00 0.00 C ATOM 0 H LEU A 33 4.081 -7.836 -10.263 1.00 0.00 H new ATOM 0 HA LEU A 33 1.927 -5.789 -10.511 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.581 -7.767 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.534 -6.139 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 33 0.274 -5.841 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.024 -7.320 -9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.341 -6.558 -10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.447 -8.261 -10.199 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.887 -7.782 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.593 -8.754 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.578 -7.355 -6.500 1.00 0.00 H new ATOM 565 N PRO A 34 3.343 -3.862 -9.963 1.00 0.00 N ATOM 566 CA PRO A 34 4.220 -2.714 -9.808 1.00 0.00 C ATOM 567 C PRO A 34 4.493 -2.428 -8.330 1.00 0.00 C ATOM 568 O PRO A 34 3.563 -2.320 -7.533 1.00 0.00 O ATOM 569 CB PRO A 34 3.501 -1.573 -10.510 1.00 0.00 C ATOM 570 CG PRO A 34 2.048 -2.004 -10.627 1.00 0.00 C ATOM 571 CD PRO A 34 1.979 -3.493 -10.330 1.00 0.00 C ATOM 0 HA PRO A 34 5.206 -2.876 -10.244 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.589 -0.647 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.933 -1.385 -11.493 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.427 -1.446 -9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.667 -1.796 -11.627 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.281 -3.703 -9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.637 -4.055 -11.199 1.00 0.00 H new ATOM 579 N ALA A 35 5.774 -2.315 -8.010 1.00 0.00 N ATOM 580 CA ALA A 35 6.182 -2.044 -6.642 1.00 0.00 C ATOM 581 C ALA A 35 7.279 -0.978 -6.642 1.00 0.00 C ATOM 582 O ALA A 35 8.398 -1.233 -7.085 1.00 0.00 O ATOM 583 CB ALA A 35 6.634 -3.346 -5.977 1.00 0.00 C ATOM 0 H ALA A 35 6.543 -2.406 -8.674 1.00 0.00 H new ATOM 0 HA ALA A 35 5.345 -1.655 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.940 -3.143 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.810 -4.059 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.475 -3.764 -6.530 1.00 0.00 H new ATOM 589 N PRO A 36 6.910 0.226 -6.129 1.00 0.00 N ATOM 590 CA PRO A 36 7.850 1.333 -6.066 1.00 0.00 C ATOM 591 C PRO A 36 8.867 1.125 -4.942 1.00 0.00 C ATOM 592 O PRO A 36 8.515 1.175 -3.764 1.00 0.00 O ATOM 593 CB PRO A 36 6.989 2.569 -5.868 1.00 0.00 C ATOM 594 CG PRO A 36 5.647 2.066 -5.363 1.00 0.00 C ATOM 595 CD PRO A 36 5.594 0.565 -5.596 1.00 0.00 C ATOM 0 HA PRO A 36 8.453 1.425 -6.969 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.445 3.252 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.874 3.118 -6.802 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.529 2.292 -4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.831 2.563 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.391 0.027 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.803 0.301 -6.297 1.00 0.00 H new ATOM 603 N GLU A 37 10.108 0.897 -5.345 1.00 0.00 N ATOM 604 CA GLU A 37 11.179 0.682 -4.386 1.00 0.00 C ATOM 605 C GLU A 37 11.914 1.995 -4.108 1.00 0.00 C ATOM 606 O GLU A 37 12.506 2.582 -5.012 1.00 0.00 O ATOM 607 CB GLU A 37 12.147 -0.395 -4.878 1.00 0.00 C ATOM 608 CG GLU A 37 12.261 -1.534 -3.863 1.00 0.00 C ATOM 609 CD GLU A 37 13.721 -1.951 -3.668 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.162 -2.843 -4.425 1.00 0.00 O ATOM 611 OE2 GLU A 37 14.362 -1.368 -2.768 1.00 0.00 O ATOM 0 H GLU A 37 10.396 0.856 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 37 10.740 0.330 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.803 -0.789 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.130 0.045 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.838 -1.219 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.677 -2.389 -4.204 1.00 0.00 H new ATOM 618 N ASP A 38 11.853 2.416 -2.853 1.00 0.00 N ATOM 619 CA ASP A 38 12.506 3.648 -2.445 1.00 0.00 C ATOM 620 C ASP A 38 11.916 4.819 -3.234 1.00 0.00 C ATOM 621 O ASP A 38 12.336 5.088 -4.358 1.00 0.00 O ATOM 622 CB ASP A 38 14.008 3.596 -2.729 1.00 0.00 C ATOM 623 CG ASP A 38 14.870 4.469 -1.815 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.284 5.079 -0.895 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.096 4.506 -2.056 1.00 0.00 O ATOM 0 H ASP A 38 11.361 1.926 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 38 12.346 3.775 -1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.343 2.563 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.178 3.900 -3.762 1.00 0.00 H new ATOM 630 N VAL A 39 10.951 5.482 -2.614 1.00 0.00 N ATOM 631 CA VAL A 39 10.299 6.618 -3.244 1.00 0.00 C ATOM 632 C VAL A 39 10.735 7.905 -2.542 1.00 0.00 C ATOM 633 O VAL A 39 11.063 7.890 -1.357 1.00 0.00 O ATOM 634 CB VAL A 39 8.782 6.419 -3.240 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.285 5.964 -4.614 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.362 5.430 -2.150 1.00 0.00 C ATOM 0 H VAL A 39 10.605 5.254 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 39 10.600 6.700 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 39 8.318 7.380 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.204 5.830 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.536 6.718 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.760 5.019 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.279 5.306 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.840 4.467 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.667 5.811 -1.176 1.00 0.00 H new ATOM 646 N GLU A 40 10.724 8.989 -3.304 1.00 0.00 N ATOM 647 CA GLU A 40 11.114 10.283 -2.769 1.00 0.00 C ATOM 648 C GLU A 40 10.275 10.623 -1.536 1.00 0.00 C ATOM 649 O GLU A 40 9.205 10.051 -1.332 1.00 0.00 O ATOM 650 CB GLU A 40 10.992 11.375 -3.834 1.00 0.00 C ATOM 651 CG GLU A 40 11.468 12.725 -3.292 1.00 0.00 C ATOM 652 CD GLU A 40 11.826 13.679 -4.433 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.827 13.389 -5.123 1.00 0.00 O ATOM 654 OE2 GLU A 40 11.089 14.677 -4.590 1.00 0.00 O ATOM 0 H GLU A 40 10.451 8.998 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 40 12.160 10.230 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.582 11.102 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.955 11.455 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.687 13.168 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.337 12.577 -2.651 1.00 0.00 H new ATOM 661 N THR A 41 10.792 11.553 -0.746 1.00 0.00 N ATOM 662 CA THR A 41 10.104 11.975 0.462 1.00 0.00 C ATOM 663 C THR A 41 8.601 12.105 0.201 1.00 0.00 C ATOM 664 O THR A 41 7.790 11.533 0.928 1.00 0.00 O ATOM 665 CB THR A 41 10.751 13.275 0.945 1.00 0.00 C ATOM 666 OG1 THR A 41 11.636 12.857 1.981 1.00 0.00 O ATOM 667 CG2 THR A 41 9.757 14.196 1.654 1.00 0.00 C ATOM 0 H THR A 41 11.679 12.026 -0.919 1.00 0.00 H new ATOM 0 HA THR A 41 10.202 11.232 1.254 1.00 0.00 H new ATOM 0 HB THR A 41 11.189 13.800 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.099 13.638 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.268 15.103 1.976 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.951 14.457 0.969 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.343 13.685 2.523 1.00 0.00 H new ATOM 675 N ASN A 42 8.277 12.862 -0.837 1.00 0.00 N ATOM 676 CA ASN A 42 6.886 13.074 -1.202 1.00 0.00 C ATOM 677 C ASN A 42 6.596 12.360 -2.523 1.00 0.00 C ATOM 678 O ASN A 42 6.155 12.985 -3.487 1.00 0.00 O ATOM 679 CB ASN A 42 6.588 14.563 -1.394 1.00 0.00 C ATOM 680 CG ASN A 42 6.176 15.214 -0.072 1.00 0.00 C ATOM 681 OD1 ASN A 42 6.997 15.580 0.752 1.00 0.00 O ATOM 682 ND2 ASN A 42 4.861 15.337 0.083 1.00 0.00 N ATOM 0 H ASN A 42 8.953 13.336 -1.436 1.00 0.00 H new ATOM 0 HA ASN A 42 6.263 12.682 -0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.469 15.066 -1.792 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.792 14.687 -2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.485 15.759 0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.229 15.009 -0.647 1.00 0.00 H new ATOM 689 N CYS A 43 6.854 11.060 -2.526 1.00 0.00 N ATOM 690 CA CYS A 43 6.626 10.255 -3.713 1.00 0.00 C ATOM 691 C CYS A 43 5.706 9.092 -3.335 1.00 0.00 C ATOM 692 O CYS A 43 4.793 8.749 -4.085 1.00 0.00 O ATOM 693 CB CYS A 43 7.940 9.766 -4.327 1.00 0.00 C ATOM 694 SG CYS A 43 8.351 10.506 -5.949 1.00 0.00 S ATOM 0 H CYS A 43 7.219 10.545 -1.725 1.00 0.00 H new ATOM 0 HA CYS A 43 6.147 10.863 -4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.751 9.978 -3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.891 8.683 -4.439 1.00 0.00 H new ATOM 0 HG CYS A 43 9.481 10.023 -6.372 1.00 0.00 H new ATOM 699 N GLU A 44 5.978 8.518 -2.172 1.00 0.00 N ATOM 700 CA GLU A 44 5.186 7.401 -1.686 1.00 0.00 C ATOM 701 C GLU A 44 3.715 7.587 -2.067 1.00 0.00 C ATOM 702 O GLU A 44 3.026 6.620 -2.385 1.00 0.00 O ATOM 703 CB GLU A 44 5.343 7.236 -0.173 1.00 0.00 C ATOM 704 CG GLU A 44 5.479 5.759 0.206 1.00 0.00 C ATOM 705 CD GLU A 44 4.108 5.127 0.449 1.00 0.00 C ATOM 706 OE1 GLU A 44 3.159 5.542 -0.251 1.00 0.00 O ATOM 707 OE2 GLU A 44 4.039 4.242 1.329 1.00 0.00 O ATOM 0 H GLU A 44 6.736 8.806 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 44 5.551 6.489 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.221 7.785 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.481 7.668 0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.995 5.222 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.091 5.665 1.103 1.00 0.00 H new ATOM 714 N TRP A 45 3.279 8.838 -2.022 1.00 0.00 N ATOM 715 CA TRP A 45 1.904 9.163 -2.358 1.00 0.00 C ATOM 716 C TRP A 45 1.660 8.742 -3.809 1.00 0.00 C ATOM 717 O TRP A 45 0.779 7.928 -4.083 1.00 0.00 O ATOM 718 CB TRP A 45 1.613 10.644 -2.109 1.00 0.00 C ATOM 719 CG TRP A 45 1.428 11.002 -0.633 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.089 11.923 0.082 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.489 10.404 0.285 1.00 0.00 C ATOM 722 NE1 TRP A 45 1.647 11.962 1.388 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.643 11.009 1.516 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.459 9.386 0.083 1.00 0.00 C ATOM 725 CZ2 TRP A 45 -0.118 10.665 2.640 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.211 9.053 1.216 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.068 9.652 2.462 1.00 0.00 C ATOM 0 H TRP A 45 3.854 9.638 -1.758 1.00 0.00 H new ATOM 0 HA TRP A 45 1.212 8.619 -1.716 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.431 11.238 -2.517 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.713 10.924 -2.656 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.870 12.555 -0.315 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.993 12.577 2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.596 8.899 -0.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.020 11.155 3.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.954 8.276 1.115 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.687 9.337 3.289 1.00 0.00 H new ATOM 738 N SER A 46 2.455 9.315 -4.700 1.00 0.00 N ATOM 739 CA SER A 46 2.337 9.010 -6.115 1.00 0.00 C ATOM 740 C SER A 46 2.546 7.512 -6.347 1.00 0.00 C ATOM 741 O SER A 46 2.122 6.973 -7.368 1.00 0.00 O ATOM 742 CB SER A 46 3.340 9.820 -6.939 1.00 0.00 C ATOM 743 OG SER A 46 4.669 9.326 -6.797 1.00 0.00 O ATOM 0 H SER A 46 3.184 9.990 -4.469 1.00 0.00 H new ATOM 0 HA SER A 46 1.334 9.285 -6.441 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.053 9.791 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.306 10.864 -6.628 1.00 0.00 H new ATOM 0 HG SER A 46 4.825 9.072 -5.864 1.00 0.00 H new ATOM 749 N ALA A 47 3.200 6.882 -5.382 1.00 0.00 N ATOM 750 CA ALA A 47 3.471 5.457 -5.468 1.00 0.00 C ATOM 751 C ALA A 47 2.271 4.681 -4.923 1.00 0.00 C ATOM 752 O ALA A 47 1.947 3.603 -5.419 1.00 0.00 O ATOM 753 CB ALA A 47 4.764 5.137 -4.715 1.00 0.00 C ATOM 0 H ALA A 47 3.550 7.332 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 47 3.615 5.155 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.967 4.068 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.591 5.691 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.656 5.423 -3.669 1.00 0.00 H new ATOM 759 N PHE A 48 1.643 5.259 -3.909 1.00 0.00 N ATOM 760 CA PHE A 48 0.486 4.635 -3.291 1.00 0.00 C ATOM 761 C PHE A 48 -0.520 4.176 -4.349 1.00 0.00 C ATOM 762 O PHE A 48 -1.312 3.268 -4.104 1.00 0.00 O ATOM 763 CB PHE A 48 -0.173 5.693 -2.404 1.00 0.00 C ATOM 764 CG PHE A 48 -1.353 5.170 -1.583 1.00 0.00 C ATOM 765 CD1 PHE A 48 -1.131 4.514 -0.413 1.00 0.00 C ATOM 766 CD2 PHE A 48 -2.626 5.362 -2.024 1.00 0.00 C ATOM 767 CE1 PHE A 48 -2.227 4.028 0.348 1.00 0.00 C ATOM 768 CE2 PHE A 48 -3.722 4.876 -1.263 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.499 4.220 -0.093 1.00 0.00 C ATOM 0 H PHE A 48 1.914 6.153 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 48 0.797 3.761 -2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.576 6.101 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.516 6.516 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.121 4.362 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.803 5.884 -2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.050 3.506 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.732 5.027 -1.613 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.333 3.851 0.486 1.00 0.00 H new ATOM 779 N SER A 49 -0.454 4.824 -5.502 1.00 0.00 N ATOM 780 CA SER A 49 -1.349 4.494 -6.598 1.00 0.00 C ATOM 781 C SER A 49 -0.862 3.229 -7.308 1.00 0.00 C ATOM 782 O SER A 49 -1.668 2.426 -7.775 1.00 0.00 O ATOM 783 CB SER A 49 -1.454 5.653 -7.592 1.00 0.00 C ATOM 784 OG SER A 49 -2.240 5.310 -8.730 1.00 0.00 O ATOM 0 H SER A 49 0.205 5.576 -5.701 1.00 0.00 H new ATOM 0 HA SER A 49 -2.342 4.313 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.893 6.518 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.455 5.945 -7.916 1.00 0.00 H new ATOM 0 HG SER A 49 -2.284 6.076 -9.340 1.00 0.00 H new ATOM 790 N CYS A 50 0.454 3.092 -7.368 1.00 0.00 N ATOM 791 CA CYS A 50 1.058 1.938 -8.013 1.00 0.00 C ATOM 792 C CYS A 50 0.585 0.679 -7.285 1.00 0.00 C ATOM 793 O CYS A 50 0.568 -0.407 -7.863 1.00 0.00 O ATOM 794 CB CYS A 50 2.584 2.041 -8.042 1.00 0.00 C ATOM 795 SG CYS A 50 3.265 2.949 -9.478 1.00 0.00 S ATOM 0 H CYS A 50 1.119 3.761 -6.981 1.00 0.00 H new ATOM 0 HA CYS A 50 0.742 1.894 -9.055 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.918 2.532 -7.128 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.002 1.034 -8.035 1.00 0.00 H new ATOM 0 HG CYS A 50 4.562 2.976 -9.399 1.00 0.00 H new ATOM 800 N PHE A 51 0.211 0.865 -6.028 1.00 0.00 N ATOM 801 CA PHE A 51 -0.261 -0.243 -5.215 1.00 0.00 C ATOM 802 C PHE A 51 -1.768 -0.445 -5.386 1.00 0.00 C ATOM 803 O PHE A 51 -2.325 -1.428 -4.899 1.00 0.00 O ATOM 804 CB PHE A 51 0.032 0.115 -3.757 1.00 0.00 C ATOM 805 CG PHE A 51 1.507 -0.010 -3.369 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.059 -1.239 -3.187 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.265 1.107 -3.206 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.428 -1.356 -2.827 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.633 0.990 -2.847 1.00 0.00 C ATOM 810 CZ PHE A 51 4.186 -0.239 -2.665 1.00 0.00 C ATOM 0 H PHE A 51 0.225 1.767 -5.552 1.00 0.00 H new ATOM 0 HA PHE A 51 0.238 -1.164 -5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.296 1.138 -3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.559 -0.532 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.457 -2.126 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.826 2.083 -3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.867 -2.332 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.235 1.877 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.227 -0.328 -2.392 1.00 0.00 H new ATOM 820 N GLN A 52 -2.385 0.502 -6.078 1.00 0.00 N ATOM 821 CA GLN A 52 -3.816 0.440 -6.319 1.00 0.00 C ATOM 822 C GLN A 52 -4.103 -0.293 -7.630 1.00 0.00 C ATOM 823 O GLN A 52 -4.899 -1.231 -7.660 1.00 0.00 O ATOM 824 CB GLN A 52 -4.431 1.841 -6.328 1.00 0.00 C ATOM 825 CG GLN A 52 -5.468 1.993 -5.213 1.00 0.00 C ATOM 826 CD GLN A 52 -6.757 2.624 -5.744 1.00 0.00 C ATOM 827 OE1 GLN A 52 -7.207 3.659 -5.283 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.323 1.943 -6.737 1.00 0.00 N ATOM 0 H GLN A 52 -1.920 1.316 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.278 -0.119 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.646 2.587 -6.204 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.900 2.030 -7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.688 1.017 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.059 2.611 -4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.893 1.082 -7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.187 2.282 -7.160 1.00 0.00 H new ATOM 837 N LYS A 53 -3.439 0.161 -8.683 1.00 0.00 N ATOM 838 CA LYS A 53 -3.612 -0.440 -9.994 1.00 0.00 C ATOM 839 C LYS A 53 -2.988 -1.837 -9.997 1.00 0.00 C ATOM 840 O LYS A 53 -3.307 -2.662 -10.851 1.00 0.00 O ATOM 841 CB LYS A 53 -3.061 0.482 -11.084 1.00 0.00 C ATOM 842 CG LYS A 53 -1.556 0.275 -11.267 1.00 0.00 C ATOM 843 CD LYS A 53 -1.033 1.080 -12.458 1.00 0.00 C ATOM 844 CE LYS A 53 -1.585 0.532 -13.776 1.00 0.00 C ATOM 845 NZ LYS A 53 -2.407 1.555 -14.459 1.00 0.00 N ATOM 0 H LYS A 53 -2.780 0.939 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.671 -0.563 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.576 0.287 -12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.260 1.521 -10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.031 0.577 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.347 -0.784 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.318 2.126 -12.347 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.056 1.046 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.762 0.227 -14.423 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.186 -0.357 -13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.774 1.167 -15.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.203 1.826 -13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.823 2.392 -14.660 1.00 0.00 H new ATOM 859 N ALA A 54 -2.109 -2.059 -9.030 1.00 0.00 N ATOM 860 CA ALA A 54 -1.437 -3.342 -8.910 1.00 0.00 C ATOM 861 C ALA A 54 -2.465 -4.466 -9.047 1.00 0.00 C ATOM 862 O ALA A 54 -2.248 -5.425 -9.786 1.00 0.00 O ATOM 863 CB ALA A 54 -0.682 -3.400 -7.581 1.00 0.00 C ATOM 0 H ALA A 54 -1.847 -1.372 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.704 -3.468 -9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.178 -4.362 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.056 -2.599 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.386 -3.280 -6.757 1.00 0.00 H new ATOM 869 N GLN A 55 -3.564 -4.311 -8.323 1.00 0.00 N ATOM 870 CA GLN A 55 -4.627 -5.301 -8.354 1.00 0.00 C ATOM 871 C GLN A 55 -4.129 -6.632 -7.787 1.00 0.00 C ATOM 872 O GLN A 55 -3.571 -7.451 -8.516 1.00 0.00 O ATOM 873 CB GLN A 55 -5.170 -5.478 -9.773 1.00 0.00 C ATOM 874 CG GLN A 55 -6.098 -6.691 -9.858 1.00 0.00 C ATOM 875 CD GLN A 55 -6.520 -6.960 -11.304 1.00 0.00 C ATOM 876 OE1 GLN A 55 -5.932 -6.464 -12.251 1.00 0.00 O ATOM 877 NE2 GLN A 55 -7.569 -7.770 -11.420 1.00 0.00 N ATOM 0 H GLN A 55 -3.741 -3.514 -7.711 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.446 -4.946 -7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.710 -4.581 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.341 -5.600 -10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.593 -7.568 -9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.982 -6.521 -9.243 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.014 -8.151 -10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.928 -8.011 -12.344 1.00 0.00 H new ATOM 886 N LEU A 56 -4.349 -6.806 -6.492 1.00 0.00 N ATOM 887 CA LEU A 56 -3.929 -8.024 -5.819 1.00 0.00 C ATOM 888 C LEU A 56 -4.844 -9.176 -6.241 1.00 0.00 C ATOM 889 O LEU A 56 -6.035 -9.171 -5.933 1.00 0.00 O ATOM 890 CB LEU A 56 -3.871 -7.807 -4.306 1.00 0.00 C ATOM 891 CG LEU A 56 -3.505 -9.032 -3.466 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.667 -10.026 -3.410 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.219 -9.683 -3.977 1.00 0.00 C ATOM 0 H LEU A 56 -4.812 -6.124 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.916 -8.295 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.146 -7.020 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.842 -7.441 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.315 -8.701 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.380 -10.887 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.537 -9.544 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.913 -10.356 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.982 -10.551 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.357 -9.998 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.401 -8.965 -3.922 1.00 0.00 H new ATOM 905 N LYS A 57 -4.252 -10.134 -6.938 1.00 0.00 N ATOM 906 CA LYS A 57 -4.999 -11.290 -7.405 1.00 0.00 C ATOM 907 C LYS A 57 -4.562 -12.526 -6.617 1.00 0.00 C ATOM 908 O LYS A 57 -3.369 -12.751 -6.421 1.00 0.00 O ATOM 909 CB LYS A 57 -4.857 -11.444 -8.921 1.00 0.00 C ATOM 910 CG LYS A 57 -6.031 -12.232 -9.505 1.00 0.00 C ATOM 911 CD LYS A 57 -7.290 -11.367 -9.579 1.00 0.00 C ATOM 912 CE LYS A 57 -8.551 -12.233 -9.584 1.00 0.00 C ATOM 913 NZ LYS A 57 -9.762 -11.385 -9.666 1.00 0.00 N ATOM 0 H LYS A 57 -3.264 -10.134 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.065 -11.155 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.807 -10.460 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.922 -11.954 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.773 -12.591 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.225 -13.111 -8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.317 -10.684 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.262 -10.754 -10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.524 -12.921 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.586 -12.840 -8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.609 -11.989 -9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.795 -10.746 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.734 -10.824 -10.541 1.00 0.00 H new ATOM 927 N SER A 58 -5.551 -13.296 -6.188 1.00 0.00 N ATOM 928 CA SER A 58 -5.284 -14.504 -5.426 1.00 0.00 C ATOM 929 C SER A 58 -5.251 -15.715 -6.360 1.00 0.00 C ATOM 930 O SER A 58 -5.883 -15.707 -7.415 1.00 0.00 O ATOM 931 CB SER A 58 -6.331 -14.707 -4.330 1.00 0.00 C ATOM 932 OG SER A 58 -7.643 -14.378 -4.778 1.00 0.00 O ATOM 0 H SER A 58 -6.539 -13.107 -6.354 1.00 0.00 H new ATOM 0 HA SER A 58 -4.311 -14.397 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.311 -15.745 -3.997 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.077 -14.091 -3.467 1.00 0.00 H new ATOM 0 HG SER A 58 -7.828 -14.844 -5.620 1.00 0.00 H new ATOM 938 N ALA A 59 -4.507 -16.727 -5.939 1.00 0.00 N ATOM 939 CA ALA A 59 -4.384 -17.943 -6.725 1.00 0.00 C ATOM 940 C ALA A 59 -5.777 -18.421 -7.139 1.00 0.00 C ATOM 941 O ALA A 59 -5.926 -19.111 -8.146 1.00 0.00 O ATOM 942 CB ALA A 59 -3.622 -18.997 -5.919 1.00 0.00 C ATOM 0 H ALA A 59 -3.983 -16.730 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.816 -17.755 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.530 -19.909 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.629 -18.620 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.164 -19.213 -4.998 1.00 0.00 H new ATOM 948 N ASN A 60 -6.762 -18.035 -6.341 1.00 0.00 N ATOM 949 CA ASN A 60 -8.137 -18.415 -6.613 1.00 0.00 C ATOM 950 C ASN A 60 -8.197 -19.914 -6.917 1.00 0.00 C ATOM 951 O ASN A 60 -8.384 -20.311 -8.066 1.00 0.00 O ATOM 952 CB ASN A 60 -8.687 -17.664 -7.827 1.00 0.00 C ATOM 953 CG ASN A 60 -8.445 -16.159 -7.697 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.679 -15.553 -6.664 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.963 -15.592 -8.799 1.00 0.00 N ATOM 0 H ASN A 60 -6.635 -17.463 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.735 -18.168 -5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.211 -18.035 -8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.755 -17.857 -7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.766 -14.591 -8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.790 -16.158 -9.630 1.00 0.00 H new ATOM 997 N ASN A 64 -8.942 -19.115 0.585 1.00 0.00 N ATOM 998 CA ASN A 64 -8.980 -17.732 1.030 1.00 0.00 C ATOM 999 C ASN A 64 -9.148 -16.815 -0.183 1.00 0.00 C ATOM 1000 O ASN A 64 -8.549 -15.743 -0.242 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.681 -17.346 1.739 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.185 -18.483 2.634 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.051 -18.925 2.551 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -8.096 -18.931 3.493 1.00 0.00 N ATOM 0 HA ASN A 64 -9.815 -17.623 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.918 -17.101 1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.842 -16.450 2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.863 -19.689 4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.028 -18.516 3.511 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.967 -17.270 -1.120 1.00 0.00 N ATOM 1012 CA GLU A 65 -10.221 -16.504 -2.328 1.00 0.00 C ATOM 1013 C GLU A 65 -11.193 -15.358 -2.035 1.00 0.00 C ATOM 1014 O GLU A 65 -10.833 -14.188 -2.155 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.754 -17.402 -3.446 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.677 -16.696 -4.801 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.945 -15.884 -5.069 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.082 -14.818 -4.430 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -12.749 -16.346 -5.907 1.00 0.00 O ATOM 0 H GLU A 65 -10.463 -18.160 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.278 -16.077 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.178 -18.326 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.787 -17.678 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.808 -16.038 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.539 -17.433 -5.592 1.00 0.00 H new ATOM 1026 N ARG A 66 -12.405 -15.735 -1.657 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.431 -14.754 -1.347 1.00 0.00 C ATOM 1028 C ARG A 66 -12.947 -13.811 -0.244 1.00 0.00 C ATOM 1029 O ARG A 66 -13.217 -12.611 -0.286 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.725 -15.435 -0.894 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.742 -14.405 -0.399 1.00 0.00 C ATOM 1032 CD ARG A 66 -16.214 -13.507 -1.544 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.055 -12.410 -1.013 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.959 -11.738 -1.740 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -18.144 -12.045 -3.031 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.677 -10.758 -1.175 1.00 0.00 N ATOM 0 H ARG A 66 -12.700 -16.706 -1.558 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.631 -14.185 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.150 -16.003 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.506 -16.147 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.597 -14.916 0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.295 -13.795 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.354 -13.094 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.781 -14.093 -2.267 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.939 -12.150 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.597 -12.791 -3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.832 -11.533 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.536 -10.524 -0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.365 -10.246 -1.727 1.00 0.00 H new ATOM 1050 N ILE A 67 -12.239 -14.388 0.716 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.714 -13.613 1.827 1.00 0.00 C ATOM 1052 C ILE A 67 -10.740 -12.560 1.295 1.00 0.00 C ATOM 1053 O ILE A 67 -10.828 -11.388 1.657 1.00 0.00 O ATOM 1054 CB ILE A 67 -11.105 -14.537 2.884 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -11.336 -13.986 4.293 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.622 -14.787 2.603 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -10.238 -12.994 4.681 1.00 0.00 C ATOM 0 H ILE A 67 -12.017 -15.383 0.747 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.518 -13.077 2.331 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.611 -15.501 2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.308 -13.495 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.359 -14.807 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.213 -15.446 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.511 -15.254 1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.084 -13.839 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.426 -12.618 5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.270 -13.495 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.234 -12.162 3.977 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.833 -13.016 0.443 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.844 -12.129 -0.143 1.00 0.00 C ATOM 1071 C ILE A 68 -9.539 -10.870 -0.665 1.00 0.00 C ATOM 1072 O ILE A 68 -8.994 -9.772 -0.574 1.00 0.00 O ATOM 1073 CB ILE A 68 -8.025 -12.865 -1.205 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.582 -13.072 -0.740 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -8.096 -12.141 -2.551 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.511 -14.108 0.384 1.00 0.00 C ATOM 0 H ILE A 68 -9.763 -13.989 0.145 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.127 -11.807 0.612 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.461 -13.854 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.969 -13.399 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.169 -12.125 -0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.505 -12.685 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.133 -12.090 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.700 -11.131 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.474 -14.236 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.105 -13.767 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.903 -15.060 0.026 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.734 -11.073 -1.202 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.510 -9.968 -1.740 1.00 0.00 C ATOM 1090 C ASN A 69 -11.652 -8.883 -0.671 1.00 0.00 C ATOM 1091 O ASN A 69 -11.920 -7.725 -0.988 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.914 -10.425 -2.140 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.535 -9.463 -3.155 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -12.887 -8.577 -3.686 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -14.824 -9.687 -3.393 1.00 0.00 N ATOM 0 H ASN A 69 -11.183 -11.986 -1.276 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.991 -9.587 -2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.867 -11.427 -2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.547 -10.484 -1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.330 -9.099 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.307 -10.447 -2.913 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.467 -9.296 0.575 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.572 -8.374 1.692 1.00 0.00 C ATOM 1104 C VAL A 70 -10.321 -7.495 1.741 1.00 0.00 C ATOM 1105 O VAL A 70 -10.384 -6.342 2.165 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.809 -9.149 2.990 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.853 -10.249 2.788 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.500 -9.726 3.531 1.00 0.00 C ATOM 0 H VAL A 70 -11.245 -10.257 0.835 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.429 -7.713 1.562 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.198 -8.451 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.003 -10.785 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.795 -9.802 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.506 -10.945 2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.697 -10.272 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.069 -10.403 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.800 -8.915 3.732 1.00 0.00 H new ATOM 1118 N SER A 71 -9.213 -8.073 1.302 1.00 0.00 N ATOM 1119 CA SER A 71 -7.948 -7.356 1.290 1.00 0.00 C ATOM 1120 C SER A 71 -7.873 -6.449 0.061 1.00 0.00 C ATOM 1121 O SER A 71 -7.351 -5.337 0.137 1.00 0.00 O ATOM 1122 CB SER A 71 -6.765 -8.326 1.308 1.00 0.00 C ATOM 1123 OG SER A 71 -6.567 -8.904 2.595 1.00 0.00 O ATOM 0 H SER A 71 -9.164 -9.030 0.952 1.00 0.00 H new ATOM 0 HA SER A 71 -7.893 -6.743 2.190 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.934 -9.117 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.860 -7.800 1.004 1.00 0.00 H new ATOM 0 HG SER A 71 -5.723 -8.579 2.973 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.401 -6.956 -1.043 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.400 -6.205 -2.287 1.00 0.00 C ATOM 1131 C ILE A 72 -9.104 -4.864 -2.069 1.00 0.00 C ATOM 1132 O ILE A 72 -8.546 -3.810 -2.368 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.003 -7.040 -3.418 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.206 -8.328 -3.634 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.123 -6.218 -4.703 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.881 -9.223 -4.675 1.00 0.00 C ATOM 0 H ILE A 72 -8.833 -7.878 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.379 -5.982 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.012 -7.331 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.195 -8.084 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.115 -8.866 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.554 -6.835 -5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.766 -5.356 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.134 -5.876 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.294 -10.131 -4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.883 -9.485 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.948 -8.691 -5.624 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.320 -4.949 -1.550 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.107 -3.756 -1.288 1.00 0.00 C ATOM 1150 C LYS A 73 -10.218 -2.698 -0.630 1.00 0.00 C ATOM 1151 O LYS A 73 -9.967 -1.644 -1.212 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.354 -4.104 -0.473 1.00 0.00 C ATOM 1153 CG LYS A 73 -13.450 -4.684 -1.369 1.00 0.00 C ATOM 1154 CD LYS A 73 -14.839 -4.365 -0.813 1.00 0.00 C ATOM 1155 CE LYS A 73 -15.923 -5.141 -1.565 1.00 0.00 C ATOM 1156 NZ LYS A 73 -17.264 -4.793 -1.046 1.00 0.00 N ATOM 0 H LYS A 73 -10.780 -5.826 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.474 -3.330 -2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.096 -4.823 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.725 -3.211 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.355 -4.277 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.326 -5.764 -1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.877 -4.616 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.030 -3.295 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.869 -4.914 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.752 -6.212 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.988 -5.328 -1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.318 -5.032 -0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.431 -3.774 -1.170 1.00 0.00 H new ATOM 1170 N LYS A 74 -9.767 -3.016 0.574 1.00 0.00 N ATOM 1171 CA LYS A 74 -8.911 -2.107 1.317 1.00 0.00 C ATOM 1172 C LYS A 74 -7.671 -1.784 0.482 1.00 0.00 C ATOM 1173 O LYS A 74 -7.412 -0.622 0.172 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.591 -2.681 2.698 1.00 0.00 C ATOM 1175 CG LYS A 74 -8.902 -1.666 3.800 1.00 0.00 C ATOM 1176 CD LYS A 74 -9.898 -2.240 4.809 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.287 -2.389 4.185 1.00 0.00 C ATOM 1178 NZ LYS A 74 -12.310 -1.741 5.035 1.00 0.00 N ATOM 0 H LYS A 74 -9.978 -3.891 1.054 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.426 -1.164 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.171 -3.589 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.539 -2.962 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.981 -1.386 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.310 -0.757 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.547 -3.211 5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.955 -1.588 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.295 -1.942 3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.525 -3.445 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.247 -1.852 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.313 -2.186 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.091 -0.729 5.132 1.00 0.00 H new ATOM 1192 N LEU A 75 -6.936 -2.832 0.142 1.00 0.00 N ATOM 1193 CA LEU A 75 -5.729 -2.675 -0.651 1.00 0.00 C ATOM 1194 C LEU A 75 -5.971 -1.625 -1.737 1.00 0.00 C ATOM 1195 O LEU A 75 -5.117 -0.774 -1.984 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.265 -4.027 -1.196 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.246 -3.978 -2.336 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -2.896 -4.543 -1.891 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.783 -4.687 -3.581 1.00 0.00 C ATOM 0 H LEU A 75 -7.153 -3.794 0.401 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.911 -2.310 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.834 -4.599 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.141 -4.577 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.084 -2.934 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.191 -4.496 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.513 -3.956 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.021 -5.580 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.040 -4.638 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.992 -5.730 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.700 -4.199 -3.911 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.138 -1.719 -2.357 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.502 -0.788 -3.412 1.00 0.00 C ATOM 1213 C LYS A 76 -8.005 0.514 -2.785 1.00 0.00 C ATOM 1214 O LYS A 76 -9.102 0.974 -3.096 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.502 -1.433 -4.374 1.00 0.00 C ATOM 1216 CG LYS A 76 -7.781 -2.108 -5.542 1.00 0.00 C ATOM 1217 CD LYS A 76 -8.747 -2.966 -6.361 1.00 0.00 C ATOM 1218 CE LYS A 76 -8.836 -2.465 -7.804 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.206 -1.993 -8.106 1.00 0.00 N ATOM 0 H LYS A 76 -7.844 -2.425 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.630 -0.536 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.104 -2.168 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.187 -0.675 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.330 -1.350 -6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.969 -2.729 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.414 -4.004 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.736 -2.945 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.124 -1.655 -7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.561 -3.266 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.248 -1.657 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.879 -2.776 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.455 -1.215 -7.463 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.178 1.071 -1.912 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.525 2.311 -1.239 1.00 0.00 C ATOM 1235 C ARG A 77 -7.059 3.512 -2.065 1.00 0.00 C ATOM 1236 O ARG A 77 -5.960 3.501 -2.618 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.889 2.379 0.151 1.00 0.00 C ATOM 1238 CG ARG A 77 -7.943 2.195 1.245 1.00 0.00 C ATOM 1239 CD ARG A 77 -9.127 3.140 1.031 1.00 0.00 C ATOM 1240 NE ARG A 77 -10.358 2.360 0.778 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.945 1.568 1.685 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.417 1.447 2.911 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -12.061 0.897 1.367 1.00 0.00 N ATOM 0 H ARG A 77 -6.269 0.686 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.609 2.338 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.125 1.607 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.389 3.339 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.293 1.163 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.496 2.382 2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.261 3.772 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.927 3.802 0.189 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.787 2.430 -0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.568 1.958 3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.864 0.844 3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.463 0.989 0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.508 0.294 2.058 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.917 4.519 -2.122 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.607 5.725 -2.870 1.00 0.00 C ATOM 1259 C LYS A 78 -6.720 6.636 -2.019 1.00 0.00 C ATOM 1260 O LYS A 78 -6.855 6.673 -0.797 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.892 6.399 -3.357 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.003 6.331 -4.882 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.031 7.734 -5.492 1.00 0.00 C ATOM 1264 CE LYS A 78 -8.614 7.700 -6.964 1.00 0.00 C ATOM 1265 NZ LYS A 78 -9.376 8.703 -7.741 1.00 0.00 N ATOM 0 H LYS A 78 -8.827 4.525 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.042 5.480 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.756 5.913 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.906 7.440 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.160 5.771 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.908 5.791 -5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.033 8.153 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.361 8.390 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.546 7.899 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.787 6.705 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.081 8.667 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.393 8.495 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.190 9.652 -7.359 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.809 7.367 -2.715 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.901 8.274 -2.036 1.00 0.00 C ATOM 1281 C PRO A 79 -5.627 9.544 -1.588 1.00 0.00 C ATOM 1282 O PRO A 79 -6.795 9.744 -1.917 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.793 8.547 -3.041 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.357 8.158 -4.398 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.621 7.348 -4.163 1.00 0.00 C ATOM 0 HA PRO A 79 -4.493 7.851 -1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.502 9.597 -3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.901 7.965 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.578 9.047 -4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.629 7.574 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.475 7.787 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.513 6.329 -4.535 1.00 0.00 H new ATOM 1628 N LYS A 102 8.538 -4.780 -11.815 1.00 0.00 N ATOM 1629 CA LYS A 102 7.457 -5.500 -11.164 1.00 0.00 C ATOM 1630 C LYS A 102 8.041 -6.458 -10.124 1.00 0.00 C ATOM 1631 O LYS A 102 9.259 -6.569 -9.992 1.00 0.00 O ATOM 1632 CB LYS A 102 6.569 -6.188 -12.203 1.00 0.00 C ATOM 1633 CG LYS A 102 5.415 -5.277 -12.628 1.00 0.00 C ATOM 1634 CD LYS A 102 5.850 -4.324 -13.743 1.00 0.00 C ATOM 1635 CE LYS A 102 6.366 -3.005 -13.166 1.00 0.00 C ATOM 1636 NZ LYS A 102 6.103 -1.890 -14.103 1.00 0.00 N ATOM 0 HA LYS A 102 6.806 -4.808 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.165 -6.457 -13.075 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.172 -7.115 -11.790 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.576 -5.883 -12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.065 -4.703 -11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.630 -4.793 -14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.009 -4.130 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.882 -2.806 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.436 -3.080 -12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.460 -1.002 -13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.585 -2.074 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.079 -1.809 -14.267 1.00 0.00 H new ATOM 1650 N LYS A 103 7.145 -7.125 -9.412 1.00 0.00 N ATOM 1651 CA LYS A 103 7.556 -8.070 -8.387 1.00 0.00 C ATOM 1652 C LYS A 103 6.385 -8.995 -8.053 1.00 0.00 C ATOM 1653 O LYS A 103 5.287 -8.829 -8.582 1.00 0.00 O ATOM 1654 CB LYS A 103 8.122 -7.331 -7.173 1.00 0.00 C ATOM 1655 CG LYS A 103 9.587 -7.706 -6.937 1.00 0.00 C ATOM 1656 CD LYS A 103 10.504 -6.502 -7.160 1.00 0.00 C ATOM 1657 CE LYS A 103 11.931 -6.807 -6.701 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.058 -6.614 -5.239 1.00 0.00 N ATOM 0 H LYS A 103 6.136 -7.030 -9.524 1.00 0.00 H new ATOM 0 HA LYS A 103 8.366 -8.701 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 103 8.038 -6.255 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.534 -7.574 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.711 -8.079 -5.920 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.872 -8.514 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.508 -6.234 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.119 -5.641 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 103 12.192 -7.833 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 103 12.634 -6.157 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.033 -6.825 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.829 -5.629 -4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.401 -7.252 -4.746 1.00 0.00 H new ATOM 1672 N PRO A 104 6.665 -9.975 -7.152 1.00 0.00 N ATOM 1673 CA PRO A 104 5.647 -10.927 -6.741 1.00 0.00 C ATOM 1674 C PRO A 104 4.649 -10.280 -5.778 1.00 0.00 C ATOM 1675 O PRO A 104 4.827 -9.133 -5.372 1.00 0.00 O ATOM 1676 CB PRO A 104 6.416 -12.078 -6.114 1.00 0.00 C ATOM 1677 CG PRO A 104 7.792 -11.527 -5.777 1.00 0.00 C ATOM 1678 CD PRO A 104 7.954 -10.202 -6.504 1.00 0.00 C ATOM 0 HA PRO A 104 5.038 -11.279 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.912 -12.443 -5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.490 -12.919 -6.803 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.894 -11.387 -4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.569 -12.228 -6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.196 -9.397 -5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.762 -10.247 -7.234 1.00 0.00 H new ATOM 1686 N PRO A 105 3.593 -11.065 -5.433 1.00 0.00 N ATOM 1687 CA PRO A 105 2.566 -10.581 -4.526 1.00 0.00 C ATOM 1688 C PRO A 105 3.072 -10.566 -3.082 1.00 0.00 C ATOM 1689 O PRO A 105 2.851 -9.601 -2.353 1.00 0.00 O ATOM 1690 CB PRO A 105 1.386 -11.517 -4.732 1.00 0.00 C ATOM 1691 CG PRO A 105 1.952 -12.760 -5.398 1.00 0.00 C ATOM 1692 CD PRO A 105 3.350 -12.428 -5.894 1.00 0.00 C ATOM 0 HA PRO A 105 2.279 -9.549 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.913 -11.764 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.623 -11.052 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.985 -13.590 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.317 -13.072 -6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.088 -13.120 -5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.411 -12.495 -6.980 1.00 0.00 H new ATOM 1700 N LYS A 106 3.743 -11.648 -2.713 1.00 0.00 N ATOM 1701 CA LYS A 106 4.282 -11.771 -1.369 1.00 0.00 C ATOM 1702 C LYS A 106 5.147 -10.549 -1.057 1.00 0.00 C ATOM 1703 O LYS A 106 5.083 -10.003 0.043 1.00 0.00 O ATOM 1704 CB LYS A 106 5.019 -13.103 -1.208 1.00 0.00 C ATOM 1705 CG LYS A 106 5.822 -13.441 -2.466 1.00 0.00 C ATOM 1706 CD LYS A 106 7.088 -14.225 -2.113 1.00 0.00 C ATOM 1707 CE LYS A 106 6.836 -15.733 -2.187 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.088 -16.451 -2.517 1.00 0.00 N ATOM 0 H LYS A 106 3.925 -12.447 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 106 3.476 -11.787 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.687 -13.051 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.301 -13.898 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.206 -14.026 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.092 -12.523 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.892 -13.953 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.419 -13.956 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.445 -16.090 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.078 -15.945 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.900 -17.473 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.445 -16.122 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.800 -16.263 -1.783 1.00 0.00 H new ATOM 1722 N GLU A 107 5.937 -10.154 -2.045 1.00 0.00 N ATOM 1723 CA GLU A 107 6.813 -9.006 -1.890 1.00 0.00 C ATOM 1724 C GLU A 107 6.020 -7.707 -2.050 1.00 0.00 C ATOM 1725 O GLU A 107 6.102 -6.818 -1.204 1.00 0.00 O ATOM 1726 CB GLU A 107 7.975 -9.065 -2.883 1.00 0.00 C ATOM 1727 CG GLU A 107 9.214 -9.692 -2.241 1.00 0.00 C ATOM 1728 CD GLU A 107 10.345 -9.840 -3.261 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.015 -9.967 -4.460 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.514 -9.823 -2.819 1.00 0.00 O ATOM 0 H GLU A 107 5.988 -10.609 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 107 7.235 -9.029 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.681 -9.645 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.211 -8.060 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.549 -9.073 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.960 -10.669 -1.830 1.00 0.00 H new ATOM 1737 N PHE A 108 5.272 -7.639 -3.141 1.00 0.00 N ATOM 1738 CA PHE A 108 4.465 -6.464 -3.423 1.00 0.00 C ATOM 1739 C PHE A 108 3.667 -6.038 -2.189 1.00 0.00 C ATOM 1740 O PHE A 108 3.394 -4.853 -2.000 1.00 0.00 O ATOM 1741 CB PHE A 108 3.490 -6.847 -4.538 1.00 0.00 C ATOM 1742 CG PHE A 108 2.331 -5.865 -4.716 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.584 -4.548 -4.944 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.047 -6.309 -4.646 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.507 -3.637 -5.109 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.029 -5.398 -4.811 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.224 -4.081 -5.039 1.00 0.00 C ATOM 0 H PHE A 108 5.208 -8.379 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 108 5.108 -5.633 -3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.039 -6.920 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.085 -7.837 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.603 -4.195 -5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.846 -7.355 -4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.707 -2.591 -5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.048 -5.750 -4.756 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.595 -3.388 -5.164 1.00 0.00 H new ATOM 1757 N LEU A 109 3.315 -7.027 -1.380 1.00 0.00 N ATOM 1758 CA LEU A 109 2.554 -6.770 -0.170 1.00 0.00 C ATOM 1759 C LEU A 109 3.515 -6.403 0.963 1.00 0.00 C ATOM 1760 O LEU A 109 3.360 -5.363 1.601 1.00 0.00 O ATOM 1761 CB LEU A 109 1.645 -7.957 0.155 1.00 0.00 C ATOM 1762 CG LEU A 109 0.279 -7.963 -0.534 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.395 -6.595 -0.427 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.399 -8.431 -1.986 1.00 0.00 C ATOM 0 H LEU A 109 3.543 -8.008 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 109 1.888 -5.919 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.169 -8.875 -0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.486 -7.983 1.233 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.361 -8.678 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.364 -6.627 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.535 -6.339 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.233 -5.842 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.586 -8.426 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.062 -7.759 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.807 -9.442 -2.010 1.00 0.00 H new ATOM 1776 N GLU A 110 4.486 -7.278 1.179 1.00 0.00 N ATOM 1777 CA GLU A 110 5.472 -7.060 2.224 1.00 0.00 C ATOM 1778 C GLU A 110 6.166 -5.711 2.025 1.00 0.00 C ATOM 1779 O GLU A 110 6.767 -5.175 2.955 1.00 0.00 O ATOM 1780 CB GLU A 110 6.491 -8.201 2.264 1.00 0.00 C ATOM 1781 CG GLU A 110 6.851 -8.564 3.706 1.00 0.00 C ATOM 1782 CD GLU A 110 7.358 -10.005 3.798 1.00 0.00 C ATOM 1783 OE1 GLU A 110 8.584 -10.186 3.640 1.00 0.00 O ATOM 1784 OE2 GLU A 110 6.507 -10.892 4.024 1.00 0.00 O ATOM 0 H GLU A 110 4.611 -8.140 0.648 1.00 0.00 H new ATOM 0 HA GLU A 110 4.957 -7.044 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.084 -9.075 1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.391 -7.909 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.616 -7.881 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.977 -8.441 4.345 1.00 0.00 H new ATOM 1791 N ARG A 111 6.061 -5.202 0.807 1.00 0.00 N ATOM 1792 CA ARG A 111 6.672 -3.926 0.474 1.00 0.00 C ATOM 1793 C ARG A 111 5.662 -2.791 0.654 1.00 0.00 C ATOM 1794 O ARG A 111 5.947 -1.802 1.327 1.00 0.00 O ATOM 1795 CB ARG A 111 7.184 -3.920 -0.968 1.00 0.00 C ATOM 1796 CG ARG A 111 8.474 -3.106 -1.088 1.00 0.00 C ATOM 1797 CD ARG A 111 9.659 -4.006 -1.445 1.00 0.00 C ATOM 1798 NE ARG A 111 10.051 -4.816 -0.270 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.764 -4.346 0.763 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.167 -3.068 0.772 1.00 0.00 N ATOM 1801 NH2 ARG A 111 11.074 -5.154 1.786 1.00 0.00 N ATOM 0 H ARG A 111 5.562 -5.650 0.038 1.00 0.00 H new ATOM 0 HA ARG A 111 7.516 -3.777 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.363 -4.943 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.423 -3.501 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.354 -2.337 -1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.673 -2.593 -0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.392 -4.660 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 111 10.501 -3.398 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 111 9.760 -5.793 -0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.931 -2.453 -0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.710 -2.710 1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.767 -6.127 1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.617 -4.796 2.572 1.00 0.00 H new ATOM 1815 N PHE A 112 4.502 -2.971 0.039 1.00 0.00 N ATOM 1816 CA PHE A 112 3.448 -1.975 0.123 1.00 0.00 C ATOM 1817 C PHE A 112 3.173 -1.589 1.578 1.00 0.00 C ATOM 1818 O PHE A 112 3.244 -0.414 1.936 1.00 0.00 O ATOM 1819 CB PHE A 112 2.187 -2.606 -0.472 1.00 0.00 C ATOM 1820 CG PHE A 112 0.997 -1.649 -0.564 1.00 0.00 C ATOM 1821 CD1 PHE A 112 1.189 -0.309 -0.436 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.255 -2.139 -0.773 1.00 0.00 C ATOM 1823 CE1 PHE A 112 0.084 0.578 -0.521 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.360 -1.252 -0.858 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.167 0.088 -0.730 1.00 0.00 C ATOM 0 H PHE A 112 4.269 -3.792 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 112 3.744 -1.074 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.417 -2.981 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.903 -3.466 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.182 0.081 -0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.408 -3.203 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.237 1.642 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.354 -1.641 -1.024 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.008 0.763 -0.794 1.00 0.00 H new ATOM 1835 N LYS A 113 2.865 -2.599 2.377 1.00 0.00 N ATOM 1836 CA LYS A 113 2.579 -2.381 3.784 1.00 0.00 C ATOM 1837 C LYS A 113 3.725 -1.589 4.416 1.00 0.00 C ATOM 1838 O LYS A 113 3.492 -0.656 5.184 1.00 0.00 O ATOM 1839 CB LYS A 113 2.289 -3.709 4.485 1.00 0.00 C ATOM 1840 CG LYS A 113 2.825 -3.701 5.918 1.00 0.00 C ATOM 1841 CD LYS A 113 4.261 -4.227 5.970 1.00 0.00 C ATOM 1842 CE LYS A 113 4.288 -5.714 6.328 1.00 0.00 C ATOM 1843 NZ LYS A 113 5.380 -5.997 7.287 1.00 0.00 N ATOM 0 H LYS A 113 2.807 -3.572 2.076 1.00 0.00 H new ATOM 0 HA LYS A 113 1.675 -1.783 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.214 -3.892 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.746 -4.526 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.791 -2.687 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 113 2.186 -4.315 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.744 -4.073 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.833 -3.662 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.331 -6.007 6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.426 -6.309 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.384 -7.011 7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.292 -5.736 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.232 -5.444 8.155 1.00 0.00 H new ATOM 1857 N SER A 114 4.940 -1.989 4.070 1.00 0.00 N ATOM 1858 CA SER A 114 6.123 -1.329 4.594 1.00 0.00 C ATOM 1859 C SER A 114 6.186 0.113 4.086 1.00 0.00 C ATOM 1860 O SER A 114 6.287 1.049 4.878 1.00 0.00 O ATOM 1861 CB SER A 114 7.395 -2.085 4.202 1.00 0.00 C ATOM 1862 OG SER A 114 8.300 -2.209 5.295 1.00 0.00 O ATOM 0 H SER A 114 5.130 -2.762 3.433 1.00 0.00 H new ATOM 0 HA SER A 114 6.057 -1.322 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.129 -3.077 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.888 -1.565 3.381 1.00 0.00 H new ATOM 0 HG SER A 114 9.098 -2.699 5.005 1.00 0.00 H new ATOM 1868 N LEU A 115 6.122 0.247 2.770 1.00 0.00 N ATOM 1869 CA LEU A 115 6.170 1.559 2.148 1.00 0.00 C ATOM 1870 C LEU A 115 5.224 2.505 2.890 1.00 0.00 C ATOM 1871 O LEU A 115 5.548 3.673 3.100 1.00 0.00 O ATOM 1872 CB LEU A 115 5.881 1.452 0.649 1.00 0.00 C ATOM 1873 CG LEU A 115 6.300 2.653 -0.202 1.00 0.00 C ATOM 1874 CD1 LEU A 115 7.370 3.483 0.510 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.752 2.208 -1.594 1.00 0.00 C ATOM 0 H LEU A 115 6.037 -0.532 2.117 1.00 0.00 H new ATOM 0 HA LEU A 115 7.172 1.982 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.385 0.566 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.811 1.293 0.516 1.00 0.00 H new ATOM 0 HG LEU A 115 5.430 3.296 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.650 4.330 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.976 3.848 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.247 2.863 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.044 3.081 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.602 1.532 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.932 1.694 -2.096 1.00 0.00 H new ATOM 1887 N LEU A 116 4.074 1.966 3.267 1.00 0.00 N ATOM 1888 CA LEU A 116 3.079 2.748 3.981 1.00 0.00 C ATOM 1889 C LEU A 116 3.635 3.143 5.351 1.00 0.00 C ATOM 1890 O LEU A 116 3.905 4.317 5.599 1.00 0.00 O ATOM 1891 CB LEU A 116 1.752 1.990 4.051 1.00 0.00 C ATOM 1892 CG LEU A 116 1.165 1.539 2.712 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.443 0.198 2.854 1.00 0.00 C ATOM 1894 CD2 LEU A 116 0.257 2.619 2.120 1.00 0.00 C ATOM 0 H LEU A 116 3.809 0.997 3.091 1.00 0.00 H new ATOM 0 HA LEU A 116 2.864 3.672 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.892 1.110 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.020 2.625 4.551 1.00 0.00 H new ATOM 0 HG LEU A 116 1.987 1.390 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.035 -0.100 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.147 -0.559 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.368 0.296 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.147 2.273 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.562 2.824 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.833 3.531 1.960 1.00 0.00 H new ATOM 1906 N GLN A 117 3.789 2.141 6.203 1.00 0.00 N ATOM 1907 CA GLN A 117 4.307 2.369 7.541 1.00 0.00 C ATOM 1908 C GLN A 117 5.696 3.007 7.470 1.00 0.00 C ATOM 1909 O GLN A 117 6.252 3.408 8.492 1.00 0.00 O ATOM 1910 CB GLN A 117 4.342 1.068 8.345 1.00 0.00 C ATOM 1911 CG GLN A 117 5.412 0.117 7.805 1.00 0.00 C ATOM 1912 CD GLN A 117 6.213 -0.512 8.946 1.00 0.00 C ATOM 1913 OE1 GLN A 117 5.711 -1.299 9.732 1.00 0.00 O ATOM 1914 NE2 GLN A 117 7.484 -0.122 8.994 1.00 0.00 N ATOM 0 H GLN A 117 3.564 1.169 5.993 1.00 0.00 H new ATOM 0 HA GLN A 117 3.637 3.058 8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.543 1.290 9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.366 0.584 8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.941 -0.667 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.084 0.660 7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.841 0.540 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.102 -0.485 9.720 1.00 0.00 H new ATOM 1923 N LYS A 118 6.217 3.080 6.254 1.00 0.00 N ATOM 1924 CA LYS A 118 7.531 3.662 6.037 1.00 0.00 C ATOM 1925 C LYS A 118 7.411 5.187 6.014 1.00 0.00 C ATOM 1926 O LYS A 118 7.943 5.869 6.888 1.00 0.00 O ATOM 1927 CB LYS A 118 8.175 3.077 4.779 1.00 0.00 C ATOM 1928 CG LYS A 118 9.040 1.861 5.121 1.00 0.00 C ATOM 1929 CD LYS A 118 10.367 1.902 4.361 1.00 0.00 C ATOM 1930 CE LYS A 118 10.496 0.706 3.416 1.00 0.00 C ATOM 1931 NZ LYS A 118 10.583 -0.555 4.185 1.00 0.00 N ATOM 0 H LYS A 118 5.753 2.746 5.409 1.00 0.00 H new ATOM 0 HA LYS A 118 8.201 3.407 6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.399 2.788 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 118 8.786 3.837 4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.232 1.837 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.502 0.946 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.435 2.829 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 118 11.196 1.901 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.638 0.671 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.383 0.821 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.984 -1.302 3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.193 -0.414 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.632 -0.837 4.498 1.00 0.00 H new ATOM 1945 N MET A 119 6.708 5.678 5.003 1.00 0.00 N ATOM 1946 CA MET A 119 6.511 7.110 4.854 1.00 0.00 C ATOM 1947 C MET A 119 5.170 7.543 5.447 1.00 0.00 C ATOM 1948 O MET A 119 5.130 8.323 6.398 1.00 0.00 O ATOM 1949 CB MET A 119 6.557 7.480 3.370 1.00 0.00 C ATOM 1950 CG MET A 119 8.001 7.646 2.891 1.00 0.00 C ATOM 1951 SD MET A 119 8.691 9.156 3.545 1.00 0.00 S ATOM 1952 CE MET A 119 10.430 8.829 3.310 1.00 0.00 C ATOM 0 H MET A 119 6.268 5.109 4.279 1.00 0.00 H new ATOM 0 HA MET A 119 7.307 7.625 5.391 1.00 0.00 H new ATOM 0 HB2 MET A 119 6.062 6.706 2.783 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.007 8.406 3.205 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.600 6.794 3.212 1.00 0.00 H new ATOM 0 HG3 MET A 119 8.032 7.664 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 119 11.012 9.678 3.668 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.711 7.936 3.868 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.631 8.673 2.250 1.00 0.00 H new ATOM 1962 N ILE A 120 4.103 7.019 4.862 1.00 0.00 N ATOM 1963 CA ILE A 120 2.763 7.343 5.320 1.00 0.00 C ATOM 1964 C ILE A 120 2.773 7.499 6.842 1.00 0.00 C ATOM 1965 O ILE A 120 2.434 8.560 7.363 1.00 0.00 O ATOM 1966 CB ILE A 120 1.759 6.304 4.816 1.00 0.00 C ATOM 1967 CG1 ILE A 120 1.329 6.610 3.379 1.00 0.00 C ATOM 1968 CG2 ILE A 120 0.561 6.195 5.762 1.00 0.00 C ATOM 1969 CD1 ILE A 120 2.533 6.993 2.517 1.00 0.00 C ATOM 0 H ILE A 120 4.139 6.372 4.074 1.00 0.00 H new ATOM 0 HA ILE A 120 2.438 8.296 4.903 1.00 0.00 H new ATOM 0 HB ILE A 120 2.250 5.331 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 120 0.833 5.739 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 120 0.603 7.423 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.137 5.450 5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.905 5.896 6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 120 0.060 7.161 5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.200 7.205 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 120 3.012 7.878 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 120 3.246 6.168 2.500 1.00 0.00 H new ATOM 1981 N HIS A 121 3.166 6.426 7.513 1.00 0.00 N ATOM 1982 CA HIS A 121 3.226 6.431 8.965 1.00 0.00 C ATOM 1983 C HIS A 121 3.920 7.706 9.446 1.00 0.00 C ATOM 1984 O HIS A 121 3.273 8.608 9.975 1.00 0.00 O ATOM 1985 CB HIS A 121 3.896 5.158 9.485 1.00 0.00 C ATOM 1986 CG HIS A 121 4.372 5.255 10.915 1.00 0.00 C ATOM 1987 ND1 HIS A 121 5.292 6.199 11.337 1.00 0.00 N ATOM 1988 CD2 HIS A 121 4.045 4.517 12.015 1.00 0.00 C ATOM 1989 CE1 HIS A 121 5.502 6.028 12.634 1.00 0.00 C ATOM 1990 NE2 HIS A 121 4.729 4.985 13.052 1.00 0.00 N ATOM 0 H HIS A 121 3.446 5.547 7.078 1.00 0.00 H new ATOM 0 HA HIS A 121 2.216 6.433 9.374 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.192 4.330 9.402 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.746 4.920 8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 121 3.348 3.692 12.038 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.168 6.612 13.252 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.684 4.624 14.005 1.00 0.00 H new ATOM 1998 N GLN A 122 5.229 7.741 9.244 1.00 0.00 N ATOM 1999 CA GLN A 122 6.019 8.891 9.651 1.00 0.00 C ATOM 2000 C GLN A 122 5.331 10.187 9.217 1.00 0.00 C ATOM 2001 O GLN A 122 5.369 11.184 9.936 1.00 0.00 O ATOM 2002 CB GLN A 122 7.439 8.808 9.087 1.00 0.00 C ATOM 2003 CG GLN A 122 7.417 8.680 7.563 1.00 0.00 C ATOM 2004 CD GLN A 122 8.834 8.734 6.987 1.00 0.00 C ATOM 2005 OE1 GLN A 122 9.393 7.741 6.552 1.00 0.00 O ATOM 2006 NE2 GLN A 122 9.381 9.946 7.010 1.00 0.00 N ATOM 0 H GLN A 122 5.763 6.991 8.804 1.00 0.00 H new ATOM 0 HA GLN A 122 6.095 8.889 10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.000 9.698 9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.957 7.952 9.520 1.00 0.00 H new ATOM 0 HG2 GLN A 122 6.941 7.741 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.816 9.483 7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.857 10.735 7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 122 10.325 10.087 6.649 1.00 0.00 H new