USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 434 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 22 ASN : amide:sc= -2.55! C(o=-1.2!,f=-0.86!) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0.0175 USER MOD Set 1.3: A 46 ASN : amide:sc= 1.31 K(o=-1.2,f=-7.9!) USER MOD Set 2.1: A 42 SER OG : rot 120:sc= 1.37 USER MOD Set 2.2: A 44 THR OG1 : rot 72:sc= 0.674! USER MOD Set 3.1: A 21 HIS :FLIP no HD1:sc= -0.0874 F(o=-1.4,f=-0.21) USER MOD Set 3.2: A 35 GLN :FLIP amide:sc= -0.119 F(o=-1.2,f=-0.21) USER MOD Single : A 1 LEU N :NH3+ 136:sc= 0.0204 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.12) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.0374 (180deg=-0.25) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.386 K(o=0.39,f=-5.8!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -115:sc= -0.434 (180deg=-0.77) USER MOD Single : A 29 ASN : amide:sc= -0.201 K(o=-0.2,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0445 (180deg=-0.278) USER MOD Single : A 38 SER OG : rot -105:sc= 1.2 USER MOD Single : A 39 SER OG : rot 53:sc= 1.24 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.898 K(o=-0.9,f=-4.6!) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.22) USER MOD Single : A 51 SER OG : rot 82:sc= 1.3 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.000903 USER MOD Single : A 56 ASN : amide:sc= -2.53! C(o=-2.5!,f=-14!) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= -0.529 (180deg=-2.55!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.981 14.625 1.610 1.00 0.00 N ATOM 2 CA LEU A 1 4.201 13.400 2.367 1.00 0.00 C ATOM 3 C LEU A 1 5.339 12.616 1.818 1.00 0.00 C ATOM 4 O LEU A 1 5.555 12.575 0.611 1.00 0.00 O ATOM 5 CB LEU A 1 2.968 12.487 2.398 1.00 0.00 C ATOM 6 CG LEU A 1 1.836 12.856 3.349 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.798 11.762 3.339 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.374 13.052 4.751 1.00 0.00 C ATOM 0 H1 LEU A 1 2.962 14.751 1.441 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.345 15.436 2.149 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.478 14.564 0.698 1.00 0.00 H new ATOM 0 HA LEU A 1 4.422 13.729 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.558 12.444 1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.302 11.481 2.650 1.00 0.00 H new ATOM 0 HG LEU A 1 1.379 13.790 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.013 12.024 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.402 11.645 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.253 10.825 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.556 13.315 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.841 12.129 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.113 13.853 4.748 1.00 0.00 H new ATOM 22 N LYS A 2 6.104 12.058 2.700 1.00 0.00 N ATOM 23 CA LYS A 2 7.119 11.127 2.341 1.00 0.00 C ATOM 24 C LYS A 2 6.707 9.741 2.829 1.00 0.00 C ATOM 25 O LYS A 2 6.590 9.518 4.026 1.00 0.00 O ATOM 26 CB LYS A 2 8.507 11.594 2.826 1.00 0.00 C ATOM 27 CG LYS A 2 8.582 12.070 4.281 1.00 0.00 C ATOM 28 CD LYS A 2 9.952 12.666 4.569 1.00 0.00 C ATOM 29 CE LYS A 2 10.039 13.353 5.934 1.00 0.00 C ATOM 30 NZ LYS A 2 9.935 12.420 7.080 1.00 0.00 N ATOM 0 H LYS A 2 6.039 12.240 3.702 1.00 0.00 H new ATOM 0 HA LYS A 2 7.221 11.068 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.211 10.772 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.842 12.406 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.807 12.813 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.392 11.235 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.702 11.876 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.197 13.388 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.985 13.891 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.244 14.095 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.120 12.935 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.979 12.012 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.633 11.657 6.971 1.00 0.00 H new ATOM 44 N CYS A 3 6.447 8.839 1.915 1.00 0.00 N ATOM 45 CA CYS A 3 5.894 7.535 2.278 1.00 0.00 C ATOM 46 C CYS A 3 6.790 6.408 1.757 1.00 0.00 C ATOM 47 O CYS A 3 7.644 6.625 0.881 1.00 0.00 O ATOM 48 CB CYS A 3 4.470 7.392 1.702 1.00 0.00 C ATOM 49 SG CYS A 3 3.442 8.901 1.875 1.00 0.00 S ATOM 0 H CYS A 3 6.605 8.972 0.916 1.00 0.00 H new ATOM 0 HA CYS A 3 5.848 7.464 3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.541 7.132 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.968 6.563 2.202 1.00 0.00 H new ATOM 54 N PHE A 4 6.603 5.212 2.269 1.00 0.00 N ATOM 55 CA PHE A 4 7.419 4.096 1.860 1.00 0.00 C ATOM 56 C PHE A 4 6.844 3.479 0.599 1.00 0.00 C ATOM 57 O PHE A 4 6.058 2.552 0.674 1.00 0.00 O ATOM 58 CB PHE A 4 7.489 3.000 2.936 1.00 0.00 C ATOM 59 CG PHE A 4 8.031 3.400 4.278 1.00 0.00 C ATOM 60 CD1 PHE A 4 9.379 3.614 4.464 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.190 3.520 5.362 1.00 0.00 C ATOM 62 CE1 PHE A 4 9.876 3.945 5.704 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.678 3.843 6.604 1.00 0.00 C ATOM 64 CZ PHE A 4 9.023 4.058 6.778 1.00 0.00 C ATOM 0 H PHE A 4 5.894 4.990 2.968 1.00 0.00 H new ATOM 0 HA PHE A 4 8.424 4.482 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.485 2.602 3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.103 2.185 2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.054 3.521 3.626 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.130 3.357 5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.934 4.116 5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.004 3.928 7.444 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.410 4.315 7.753 1.00 0.00 H new ATOM 74 N GLN A 5 7.169 4.019 -0.553 1.00 0.00 N ATOM 75 CA GLN A 5 6.644 3.428 -1.798 1.00 0.00 C ATOM 76 C GLN A 5 7.322 2.092 -2.085 1.00 0.00 C ATOM 77 O GLN A 5 6.681 1.106 -2.428 1.00 0.00 O ATOM 78 CB GLN A 5 6.836 4.357 -3.001 1.00 0.00 C ATOM 79 CG GLN A 5 6.267 3.791 -4.304 1.00 0.00 C ATOM 80 CD GLN A 5 6.535 4.643 -5.528 1.00 0.00 C ATOM 81 OE1 GLN A 5 6.631 5.934 -5.350 1.00 0.00 O flip ATOM 82 NE2 GLN A 5 6.631 4.121 -6.643 1.00 0.00 N flip ATOM 0 H GLN A 5 7.770 4.835 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 5 5.575 3.276 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.359 5.314 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.900 4.553 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.687 2.799 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.190 3.667 -4.192 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.550 3.109 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.791 4.702 -7.466 1.00 0.00 H new ATOM 91 N HIS A 6 8.609 2.055 -1.886 1.00 0.00 N ATOM 92 CA HIS A 6 9.385 0.851 -2.186 1.00 0.00 C ATOM 93 C HIS A 6 9.772 0.162 -0.901 1.00 0.00 C ATOM 94 O HIS A 6 10.534 -0.796 -0.892 1.00 0.00 O ATOM 95 CB HIS A 6 10.667 1.221 -2.955 1.00 0.00 C ATOM 96 CG HIS A 6 10.447 2.004 -4.217 1.00 0.00 C ATOM 97 ND1 HIS A 6 9.930 1.476 -5.374 1.00 0.00 N ATOM 98 CD2 HIS A 6 10.675 3.316 -4.478 1.00 0.00 C ATOM 99 CE1 HIS A 6 9.857 2.454 -6.283 1.00 0.00 C ATOM 100 NE2 HIS A 6 10.300 3.596 -5.785 1.00 0.00 N ATOM 0 H HIS A 6 9.156 2.834 -1.519 1.00 0.00 H new ATOM 0 HA HIS A 6 8.773 0.187 -2.797 1.00 0.00 H new ATOM 0 HB2 HIS A 6 11.314 1.799 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.201 0.304 -3.203 1.00 0.00 H new ATOM 0 HD2 HIS A 6 11.084 4.030 -3.779 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.486 2.328 -7.289 1.00 0.00 H new ATOM 0 HE2 HIS A 6 10.355 4.496 -6.262 1.00 0.00 H new ATOM 108 N GLY A 7 9.238 0.662 0.186 1.00 0.00 N ATOM 109 CA GLY A 7 9.676 0.232 1.501 1.00 0.00 C ATOM 110 C GLY A 7 10.680 1.241 2.010 1.00 0.00 C ATOM 111 O GLY A 7 11.026 1.294 3.187 1.00 0.00 O ATOM 0 H GLY A 7 8.500 1.366 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.827 0.162 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.125 -0.760 1.448 1.00 0.00 H new ATOM 115 N LYS A 8 11.132 2.044 1.079 1.00 0.00 N ATOM 116 CA LYS A 8 12.037 3.130 1.298 1.00 0.00 C ATOM 117 C LYS A 8 11.237 4.404 1.218 1.00 0.00 C ATOM 118 O LYS A 8 10.214 4.449 0.509 1.00 0.00 O ATOM 119 CB LYS A 8 13.104 3.126 0.209 1.00 0.00 C ATOM 120 CG LYS A 8 13.913 1.852 0.174 1.00 0.00 C ATOM 121 CD LYS A 8 14.875 1.828 -0.986 1.00 0.00 C ATOM 122 CE LYS A 8 15.690 0.547 -1.002 1.00 0.00 C ATOM 123 NZ LYS A 8 16.546 0.417 0.202 1.00 0.00 N ATOM 0 H LYS A 8 10.861 1.947 0.100 1.00 0.00 H new ATOM 0 HA LYS A 8 12.526 3.042 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.626 3.272 -0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.775 3.971 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.467 1.748 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.241 0.997 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.323 1.922 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.544 2.686 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.018 -0.309 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.315 0.526 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.251 -0.332 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.033 1.318 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.956 0.174 1.023 1.00 0.00 H new ATOM 137 N VAL A 9 11.671 5.408 1.928 1.00 0.00 N ATOM 138 CA VAL A 9 10.983 6.681 1.974 1.00 0.00 C ATOM 139 C VAL A 9 11.179 7.435 0.672 1.00 0.00 C ATOM 140 O VAL A 9 12.313 7.673 0.247 1.00 0.00 O ATOM 141 CB VAL A 9 11.493 7.551 3.148 1.00 0.00 C ATOM 142 CG1 VAL A 9 10.754 8.873 3.222 1.00 0.00 C ATOM 143 CG2 VAL A 9 11.359 6.807 4.450 1.00 0.00 C ATOM 0 H VAL A 9 12.517 5.372 2.497 1.00 0.00 H new ATOM 0 HA VAL A 9 9.923 6.477 2.123 1.00 0.00 H new ATOM 0 HB VAL A 9 12.546 7.766 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.138 9.458 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.902 9.425 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.690 8.687 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.722 7.433 5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.311 6.559 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.946 5.890 4.407 1.00 0.00 H new ATOM 153 N VAL A 10 10.096 7.763 0.031 1.00 0.00 N ATOM 154 CA VAL A 10 10.142 8.537 -1.172 1.00 0.00 C ATOM 155 C VAL A 10 9.332 9.796 -0.968 1.00 0.00 C ATOM 156 O VAL A 10 8.383 9.813 -0.162 1.00 0.00 O ATOM 157 CB VAL A 10 9.604 7.760 -2.416 1.00 0.00 C ATOM 158 CG1 VAL A 10 10.365 6.460 -2.624 1.00 0.00 C ATOM 159 CG2 VAL A 10 8.107 7.500 -2.319 1.00 0.00 C ATOM 0 H VAL A 10 9.156 7.501 0.328 1.00 0.00 H new ATOM 0 HA VAL A 10 11.187 8.771 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 10 9.771 8.395 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.968 5.942 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.421 6.678 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.252 5.827 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.774 6.958 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.898 6.906 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.576 8.450 -2.254 1.00 0.00 H new ATOM 169 N THR A 11 9.699 10.831 -1.648 1.00 0.00 N ATOM 170 CA THR A 11 8.988 12.058 -1.578 1.00 0.00 C ATOM 171 C THR A 11 7.809 12.005 -2.546 1.00 0.00 C ATOM 172 O THR A 11 7.991 11.899 -3.764 1.00 0.00 O ATOM 173 CB THR A 11 9.921 13.234 -1.926 1.00 0.00 C ATOM 174 OG1 THR A 11 11.045 13.221 -1.019 1.00 0.00 O ATOM 175 CG2 THR A 11 9.192 14.568 -1.816 1.00 0.00 C ATOM 0 H THR A 11 10.506 10.846 -2.271 1.00 0.00 H new ATOM 0 HA THR A 11 8.616 12.209 -0.565 1.00 0.00 H new ATOM 0 HB THR A 11 10.261 13.119 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.646 13.965 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.876 15.378 -2.067 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.348 14.579 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.830 14.702 -0.797 1.00 0.00 H new ATOM 183 N CYS A 12 6.632 12.010 -2.013 1.00 0.00 N ATOM 184 CA CYS A 12 5.444 12.013 -2.810 1.00 0.00 C ATOM 185 C CYS A 12 5.176 13.456 -3.185 1.00 0.00 C ATOM 186 O CYS A 12 5.454 14.351 -2.378 1.00 0.00 O ATOM 187 CB CYS A 12 4.302 11.459 -1.981 1.00 0.00 C ATOM 188 SG CYS A 12 4.724 9.915 -1.082 1.00 0.00 S ATOM 0 H CYS A 12 6.463 12.012 -1.007 1.00 0.00 H new ATOM 0 HA CYS A 12 5.548 11.401 -3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.988 12.214 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.450 11.268 -2.634 1.00 0.00 H new ATOM 193 N HIS A 13 4.687 13.709 -4.386 1.00 0.00 N ATOM 194 CA HIS A 13 4.464 15.079 -4.830 1.00 0.00 C ATOM 195 C HIS A 13 3.358 15.752 -3.992 1.00 0.00 C ATOM 196 O HIS A 13 2.638 15.082 -3.241 1.00 0.00 O ATOM 197 CB HIS A 13 4.130 15.120 -6.333 1.00 0.00 C ATOM 198 CG HIS A 13 4.239 16.487 -6.946 1.00 0.00 C ATOM 199 ND1 HIS A 13 3.189 17.186 -7.494 1.00 0.00 N ATOM 200 CD2 HIS A 13 5.321 17.282 -7.077 1.00 0.00 C ATOM 201 CE1 HIS A 13 3.653 18.353 -7.927 1.00 0.00 C ATOM 202 NE2 HIS A 13 4.947 18.466 -7.695 1.00 0.00 N ATOM 0 H HIS A 13 4.438 12.993 -5.068 1.00 0.00 H new ATOM 0 HA HIS A 13 5.385 15.642 -4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.799 14.441 -6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.116 14.747 -6.480 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.223 16.865 -7.557 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.321 17.035 -6.752 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.050 19.110 -8.406 1.00 0.00 H new ATOM 210 N ARG A 14 3.210 17.057 -4.151 1.00 0.00 N ATOM 211 CA ARG A 14 2.264 17.881 -3.389 1.00 0.00 C ATOM 212 C ARG A 14 0.803 17.507 -3.643 1.00 0.00 C ATOM 213 O ARG A 14 -0.098 17.995 -2.961 1.00 0.00 O ATOM 214 CB ARG A 14 2.478 19.358 -3.704 1.00 0.00 C ATOM 215 CG ARG A 14 3.842 19.889 -3.302 1.00 0.00 C ATOM 216 CD ARG A 14 4.003 21.359 -3.662 1.00 0.00 C ATOM 217 NE ARG A 14 2.947 22.196 -3.075 1.00 0.00 N ATOM 218 CZ ARG A 14 3.076 23.483 -2.742 1.00 0.00 C ATOM 219 NH1 ARG A 14 4.261 24.092 -2.800 1.00 0.00 N ATOM 220 NH2 ARG A 14 2.017 24.159 -2.333 1.00 0.00 N ATOM 0 H ARG A 14 3.754 17.593 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 14 2.466 17.689 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.341 19.513 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.710 19.941 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.981 19.760 -2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.619 19.306 -3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.976 21.711 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.990 21.469 -4.746 1.00 0.00 H new ATOM 0 HE ARG A 14 2.041 21.758 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.086 23.574 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.342 25.076 -2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.109 23.698 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.107 25.142 -2.077 1.00 0.00 H new ATOM 234 N ASP A 15 0.568 16.669 -4.623 1.00 0.00 N ATOM 235 CA ASP A 15 -0.780 16.210 -4.922 1.00 0.00 C ATOM 236 C ASP A 15 -1.133 15.071 -4.006 1.00 0.00 C ATOM 237 O ASP A 15 -2.291 14.868 -3.658 1.00 0.00 O ATOM 238 CB ASP A 15 -0.896 15.719 -6.367 1.00 0.00 C ATOM 239 CG ASP A 15 -0.546 16.763 -7.377 1.00 0.00 C ATOM 240 OD1 ASP A 15 -1.394 17.608 -7.700 1.00 0.00 O ATOM 241 OD2 ASP A 15 0.596 16.768 -7.869 1.00 0.00 O ATOM 0 H ASP A 15 1.290 16.286 -5.233 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.459 17.051 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.242 14.858 -6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.915 15.377 -6.546 1.00 0.00 H new ATOM 246 N MET A 16 -0.119 14.346 -3.601 1.00 0.00 N ATOM 247 CA MET A 16 -0.278 13.168 -2.792 1.00 0.00 C ATOM 248 C MET A 16 -0.436 13.513 -1.345 1.00 0.00 C ATOM 249 O MET A 16 0.525 13.839 -0.659 1.00 0.00 O ATOM 250 CB MET A 16 0.867 12.178 -3.008 1.00 0.00 C ATOM 251 CG MET A 16 0.837 11.504 -4.352 1.00 0.00 C ATOM 252 SD MET A 16 1.156 12.596 -5.736 1.00 0.00 S ATOM 253 CE MET A 16 0.786 11.463 -7.051 1.00 0.00 C ATOM 0 H MET A 16 0.851 14.563 -3.828 1.00 0.00 H new ATOM 0 HA MET A 16 -1.197 12.677 -3.113 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.816 12.703 -2.896 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.830 11.417 -2.229 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.576 10.703 -4.359 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.139 11.039 -4.490 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.927 11.961 -8.010 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.452 10.602 -6.988 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.248 11.129 -6.964 1.00 0.00 H new ATOM 263 N LYS A 17 -1.655 13.469 -0.894 1.00 0.00 N ATOM 264 CA LYS A 17 -1.981 13.825 0.465 1.00 0.00 C ATOM 265 C LYS A 17 -2.099 12.585 1.326 1.00 0.00 C ATOM 266 O LYS A 17 -2.269 12.677 2.545 1.00 0.00 O ATOM 267 CB LYS A 17 -3.294 14.606 0.493 1.00 0.00 C ATOM 268 CG LYS A 17 -3.283 15.851 -0.375 1.00 0.00 C ATOM 269 CD LYS A 17 -4.587 16.614 -0.273 1.00 0.00 C ATOM 270 CE LYS A 17 -4.583 17.818 -1.199 1.00 0.00 C ATOM 271 NZ LYS A 17 -5.796 18.649 -1.041 1.00 0.00 N ATOM 0 H LYS A 17 -2.457 13.185 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.181 14.449 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.102 13.952 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.514 14.893 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.458 16.497 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.106 15.570 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.419 15.957 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.742 16.941 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.700 18.425 -0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.509 17.479 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.750 19.458 -1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.638 18.079 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.855 18.995 -0.062 1.00 0.00 H new ATOM 285 N PHE A 18 -2.028 11.427 0.698 1.00 0.00 N ATOM 286 CA PHE A 18 -2.162 10.173 1.399 1.00 0.00 C ATOM 287 C PHE A 18 -1.098 9.205 0.946 1.00 0.00 C ATOM 288 O PHE A 18 -0.657 9.241 -0.212 1.00 0.00 O ATOM 289 CB PHE A 18 -3.534 9.528 1.119 1.00 0.00 C ATOM 290 CG PHE A 18 -4.726 10.348 1.518 1.00 0.00 C ATOM 291 CD1 PHE A 18 -5.291 11.248 0.631 1.00 0.00 C ATOM 292 CD2 PHE A 18 -5.288 10.213 2.774 1.00 0.00 C ATOM 293 CE1 PHE A 18 -6.385 11.995 0.983 1.00 0.00 C ATOM 294 CE2 PHE A 18 -6.387 10.961 3.134 1.00 0.00 C ATOM 295 CZ PHE A 18 -6.938 11.853 2.237 1.00 0.00 C ATOM 0 H PHE A 18 -1.877 11.333 -0.306 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.061 10.383 2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.604 9.312 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.580 8.573 1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.863 11.363 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.861 9.515 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.813 12.693 0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.817 10.849 4.118 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.801 12.439 2.517 1.00 0.00 H new ATOM 305 N CYS A 19 -0.687 8.365 1.828 1.00 0.00 N ATOM 306 CA CYS A 19 0.182 7.280 1.485 1.00 0.00 C ATOM 307 C CYS A 19 -0.733 6.080 1.369 1.00 0.00 C ATOM 308 O CYS A 19 -1.649 5.934 2.203 1.00 0.00 O ATOM 309 CB CYS A 19 1.177 7.004 2.615 1.00 0.00 C ATOM 310 SG CYS A 19 2.062 8.456 3.277 1.00 0.00 S ATOM 0 H CYS A 19 -0.941 8.405 2.815 1.00 0.00 H new ATOM 0 HA CYS A 19 0.747 7.497 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.641 6.526 3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.915 6.287 2.255 1.00 0.00 H new ATOM 315 N TYR A 20 -0.567 5.246 0.377 1.00 0.00 N ATOM 316 CA TYR A 20 -1.433 4.103 0.300 1.00 0.00 C ATOM 317 C TYR A 20 -0.681 2.835 0.540 1.00 0.00 C ATOM 318 O TYR A 20 0.518 2.722 0.212 1.00 0.00 O ATOM 319 CB TYR A 20 -2.297 4.027 -0.986 1.00 0.00 C ATOM 320 CG TYR A 20 -1.575 3.784 -2.301 1.00 0.00 C ATOM 321 CD1 TYR A 20 -1.312 2.493 -2.758 1.00 0.00 C ATOM 322 CD2 TYR A 20 -1.204 4.832 -3.098 1.00 0.00 C ATOM 323 CE1 TYR A 20 -0.690 2.274 -3.966 1.00 0.00 C ATOM 324 CE2 TYR A 20 -0.589 4.630 -4.309 1.00 0.00 C ATOM 325 CZ TYR A 20 -0.330 3.347 -4.738 1.00 0.00 C ATOM 326 OH TYR A 20 0.289 3.140 -5.935 1.00 0.00 O ATOM 0 H TYR A 20 0.131 5.330 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.154 4.237 1.107 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.030 3.232 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.852 4.961 -1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.602 1.648 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.399 5.841 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.488 1.268 -4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.310 5.474 -4.923 1.00 0.00 H new ATOM 0 HH TYR A 20 0.477 4.003 -6.360 1.00 0.00 H new ATOM 336 N HIS A 21 -1.361 1.914 1.127 1.00 0.00 N ATOM 337 CA HIS A 21 -0.831 0.636 1.421 1.00 0.00 C ATOM 338 C HIS A 21 -1.768 -0.396 0.845 1.00 0.00 C ATOM 339 O HIS A 21 -2.842 -0.641 1.389 1.00 0.00 O ATOM 340 CB HIS A 21 -0.698 0.455 2.955 1.00 0.00 C ATOM 341 CG HIS A 21 -0.051 -0.837 3.400 1.00 0.00 C ATOM 342 ND1 HIS A 21 0.638 -1.765 2.690 1.00 0.00 N flip ATOM 343 CD2 HIS A 21 -0.050 -1.283 4.703 1.00 0.00 C flip ATOM 344 CE1 HIS A 21 1.060 -2.776 3.542 1.00 0.00 C flip ATOM 345 NE2 HIS A 21 0.622 -2.437 4.745 1.00 0.00 N flip ATOM 0 H HIS A 21 -2.329 2.036 1.423 1.00 0.00 H new ATOM 0 HA HIS A 21 0.162 0.524 0.985 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.119 1.288 3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.692 0.516 3.399 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -0.512 -0.787 5.544 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.628 -3.656 3.279 1.00 0.00 H new ATOM 0 HE2 HIS A 21 0.777 -2.984 5.592 1.00 0.00 H new ATOM 353 N ASN A 22 -1.397 -0.935 -0.269 1.00 0.00 N ATOM 354 CA ASN A 22 -2.141 -1.996 -0.866 1.00 0.00 C ATOM 355 C ASN A 22 -1.431 -3.274 -0.554 1.00 0.00 C ATOM 356 O ASN A 22 -0.263 -3.462 -0.943 1.00 0.00 O ATOM 357 CB ASN A 22 -2.282 -1.791 -2.375 1.00 0.00 C ATOM 358 CG ASN A 22 -2.990 -2.934 -3.077 1.00 0.00 C ATOM 359 OD1 ASN A 22 -2.375 -3.901 -3.509 1.00 0.00 O ATOM 360 ND2 ASN A 22 -4.269 -2.816 -3.220 1.00 0.00 N ATOM 0 H ASN A 22 -0.568 -0.652 -0.792 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.154 -2.022 -0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.830 -0.867 -2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.291 -1.665 -2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.797 -3.542 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.750 -1.997 -2.848 1.00 0.00 H new ATOM 367 N THR A 23 -2.086 -4.104 0.204 1.00 0.00 N ATOM 368 CA THR A 23 -1.531 -5.357 0.612 1.00 0.00 C ATOM 369 C THR A 23 -1.652 -6.374 -0.514 1.00 0.00 C ATOM 370 O THR A 23 -0.840 -7.300 -0.636 1.00 0.00 O ATOM 371 CB THR A 23 -2.242 -5.851 1.888 1.00 0.00 C ATOM 372 OG1 THR A 23 -3.668 -5.786 1.698 1.00 0.00 O ATOM 373 CG2 THR A 23 -1.872 -4.984 3.081 1.00 0.00 C ATOM 0 H THR A 23 -3.026 -3.927 0.558 1.00 0.00 H new ATOM 0 HA THR A 23 -0.472 -5.229 0.837 1.00 0.00 H new ATOM 0 HB THR A 23 -1.929 -6.877 2.080 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.121 -6.101 2.508 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.385 -5.351 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.795 -5.025 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.171 -3.954 2.889 1.00 0.00 H new ATOM 381 N GLY A 24 -2.662 -6.178 -1.339 1.00 0.00 N ATOM 382 CA GLY A 24 -2.896 -7.022 -2.466 1.00 0.00 C ATOM 383 C GLY A 24 -3.275 -8.415 -2.064 1.00 0.00 C ATOM 384 O GLY A 24 -3.912 -8.625 -1.019 1.00 0.00 O ATOM 0 H GLY A 24 -3.339 -5.422 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.690 -6.594 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.999 -7.056 -3.084 1.00 0.00 H new ATOM 388 N MET A 25 -2.873 -9.359 -2.850 1.00 0.00 N ATOM 389 CA MET A 25 -3.171 -10.743 -2.599 1.00 0.00 C ATOM 390 C MET A 25 -2.066 -11.368 -1.768 1.00 0.00 C ATOM 391 O MET A 25 -0.886 -11.053 -1.960 1.00 0.00 O ATOM 392 CB MET A 25 -3.365 -11.503 -3.919 1.00 0.00 C ATOM 393 CG MET A 25 -4.622 -11.098 -4.677 1.00 0.00 C ATOM 394 SD MET A 25 -4.765 -11.862 -6.312 1.00 0.00 S ATOM 395 CE MET A 25 -3.410 -11.070 -7.188 1.00 0.00 C ATOM 0 H MET A 25 -2.323 -9.197 -3.694 1.00 0.00 H new ATOM 0 HA MET A 25 -4.104 -10.807 -2.038 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.497 -11.335 -4.556 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.405 -12.572 -3.710 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.496 -11.366 -4.083 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.634 -10.014 -4.790 1.00 0.00 H new ATOM 0 HE1 MET A 25 -3.809 -10.451 -7.992 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.845 -10.446 -6.496 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.753 -11.832 -7.608 1.00 0.00 H new ATOM 405 N PRO A 26 -2.426 -12.191 -0.783 1.00 0.00 N ATOM 406 CA PRO A 26 -1.459 -12.890 0.039 1.00 0.00 C ATOM 407 C PRO A 26 -0.795 -14.017 -0.744 1.00 0.00 C ATOM 408 O PRO A 26 -1.471 -14.901 -1.317 1.00 0.00 O ATOM 409 CB PRO A 26 -2.296 -13.444 1.192 1.00 0.00 C ATOM 410 CG PRO A 26 -3.660 -13.592 0.624 1.00 0.00 C ATOM 411 CD PRO A 26 -3.810 -12.493 -0.382 1.00 0.00 C ATOM 0 HA PRO A 26 -0.648 -12.246 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.906 -14.400 1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.293 -12.767 2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.784 -14.569 0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.418 -13.513 1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.413 -12.810 -1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.301 -11.620 0.049 1.00 0.00 H new ATOM 419 N PHE A 27 0.497 -13.969 -0.799 1.00 0.00 N ATOM 420 CA PHE A 27 1.271 -14.958 -1.502 1.00 0.00 C ATOM 421 C PHE A 27 2.282 -15.589 -0.575 1.00 0.00 C ATOM 422 O PHE A 27 2.860 -14.913 0.281 1.00 0.00 O ATOM 423 CB PHE A 27 1.964 -14.357 -2.726 1.00 0.00 C ATOM 424 CG PHE A 27 1.038 -13.940 -3.830 1.00 0.00 C ATOM 425 CD1 PHE A 27 0.294 -14.881 -4.507 1.00 0.00 C ATOM 426 CD2 PHE A 27 0.934 -12.614 -4.211 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.532 -14.514 -5.538 1.00 0.00 C ATOM 428 CE2 PHE A 27 0.099 -12.242 -5.247 1.00 0.00 C ATOM 429 CZ PHE A 27 -0.632 -13.198 -5.910 1.00 0.00 C ATOM 0 H PHE A 27 1.055 -13.239 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 27 0.588 -15.731 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.543 -13.490 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.672 -15.086 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.362 -15.921 -4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.511 -11.862 -3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.107 -15.265 -6.060 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.021 -11.204 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.284 -12.913 -6.723 1.00 0.00 H new ATOM 439 N ARG A 28 2.502 -16.867 -0.755 1.00 0.00 N ATOM 440 CA ARG A 28 3.382 -17.633 0.102 1.00 0.00 C ATOM 441 C ARG A 28 4.837 -17.265 -0.116 1.00 0.00 C ATOM 442 O ARG A 28 5.386 -17.462 -1.213 1.00 0.00 O ATOM 443 CB ARG A 28 3.161 -19.123 -0.111 1.00 0.00 C ATOM 444 CG ARG A 28 1.764 -19.576 0.259 1.00 0.00 C ATOM 445 CD ARG A 28 1.573 -21.054 0.018 1.00 0.00 C ATOM 446 NE ARG A 28 1.733 -21.411 -1.397 1.00 0.00 N ATOM 447 CZ ARG A 28 1.989 -22.644 -1.843 1.00 0.00 C ATOM 448 NH1 ARG A 28 2.160 -23.649 -0.986 1.00 0.00 N ATOM 449 NH2 ARG A 28 2.067 -22.871 -3.143 1.00 0.00 N ATOM 0 H ARG A 28 2.075 -17.412 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 28 3.139 -17.388 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.350 -19.366 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.886 -19.680 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.575 -19.351 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.033 -19.015 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.293 -21.614 0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.580 -21.350 0.355 1.00 0.00 H new ATOM 0 HE ARG A 28 1.642 -20.666 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.096 -23.480 0.018 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.355 -24.588 -1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.932 -22.105 -3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.262 -23.812 -3.486 1.00 0.00 H new ATOM 463 N ASN A 29 5.431 -16.684 0.931 1.00 0.00 N ATOM 464 CA ASN A 29 6.848 -16.264 0.974 1.00 0.00 C ATOM 465 C ASN A 29 7.088 -15.120 -0.018 1.00 0.00 C ATOM 466 O ASN A 29 8.200 -14.896 -0.506 1.00 0.00 O ATOM 467 CB ASN A 29 7.802 -17.457 0.696 1.00 0.00 C ATOM 468 CG ASN A 29 9.266 -17.149 1.025 1.00 0.00 C ATOM 469 OD1 ASN A 29 9.564 -16.373 1.937 1.00 0.00 O ATOM 470 ND2 ASN A 29 10.172 -17.745 0.302 1.00 0.00 N ATOM 0 H ASN A 29 4.932 -16.485 1.798 1.00 0.00 H new ATOM 0 HA ASN A 29 7.068 -15.904 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.478 -18.317 1.282 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.724 -17.739 -0.354 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.161 -17.576 0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.892 -18.381 -0.445 1.00 0.00 H new ATOM 477 N LEU A 30 6.050 -14.379 -0.292 1.00 0.00 N ATOM 478 CA LEU A 30 6.139 -13.277 -1.200 1.00 0.00 C ATOM 479 C LEU A 30 5.509 -12.067 -0.543 1.00 0.00 C ATOM 480 O LEU A 30 4.393 -12.135 -0.017 1.00 0.00 O ATOM 481 CB LEU A 30 5.449 -13.660 -2.541 1.00 0.00 C ATOM 482 CG LEU A 30 5.546 -12.699 -3.768 1.00 0.00 C ATOM 483 CD1 LEU A 30 4.773 -11.404 -3.596 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.990 -12.423 -4.142 1.00 0.00 C ATOM 0 H LEU A 30 5.123 -14.524 0.108 1.00 0.00 H new ATOM 0 HA LEU A 30 7.176 -13.033 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.853 -14.624 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.390 -13.811 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 30 5.066 -13.228 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.889 -10.790 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.717 -11.628 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.157 -10.863 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.022 -11.751 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.502 -11.960 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.485 -13.360 -4.397 1.00 0.00 H new ATOM 496 N LYS A 31 6.226 -10.984 -0.541 1.00 0.00 N ATOM 497 CA LYS A 31 5.745 -9.751 0.030 1.00 0.00 C ATOM 498 C LYS A 31 5.300 -8.829 -1.070 1.00 0.00 C ATOM 499 O LYS A 31 6.118 -8.155 -1.697 1.00 0.00 O ATOM 500 CB LYS A 31 6.807 -9.065 0.896 1.00 0.00 C ATOM 501 CG LYS A 31 7.207 -9.849 2.126 1.00 0.00 C ATOM 502 CD LYS A 31 8.217 -9.083 2.962 1.00 0.00 C ATOM 503 CE LYS A 31 8.575 -9.836 4.233 1.00 0.00 C ATOM 504 NZ LYS A 31 7.406 -10.007 5.121 1.00 0.00 N ATOM 0 H LYS A 31 7.165 -10.925 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 31 4.902 -9.988 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.694 -8.886 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.432 -8.090 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.323 -10.064 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.631 -10.808 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.119 -8.909 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.810 -8.105 3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.980 -10.814 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.359 -9.298 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.728 -10.289 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.885 -9.109 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.781 -10.743 4.735 1.00 0.00 H new ATOM 518 N LEU A 32 4.026 -8.863 -1.355 1.00 0.00 N ATOM 519 CA LEU A 32 3.459 -8.024 -2.375 1.00 0.00 C ATOM 520 C LEU A 32 3.287 -6.619 -1.827 1.00 0.00 C ATOM 521 O LEU A 32 2.457 -6.381 -0.946 1.00 0.00 O ATOM 522 CB LEU A 32 2.121 -8.594 -2.846 1.00 0.00 C ATOM 523 CG LEU A 32 1.471 -7.873 -4.020 1.00 0.00 C ATOM 524 CD1 LEU A 32 2.367 -7.940 -5.245 1.00 0.00 C ATOM 525 CD2 LEU A 32 0.114 -8.467 -4.321 1.00 0.00 C ATOM 0 H LEU A 32 3.354 -9.472 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 32 4.129 -7.989 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.269 -9.638 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.426 -8.582 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 32 1.334 -6.826 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.888 -7.420 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.323 -7.466 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.534 -8.982 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.336 -7.940 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.226 -9.522 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.528 -8.369 -3.446 1.00 0.00 H new ATOM 537 N ILE A 33 4.082 -5.713 -2.309 1.00 0.00 N ATOM 538 CA ILE A 33 4.063 -4.367 -1.824 1.00 0.00 C ATOM 539 C ILE A 33 3.578 -3.399 -2.881 1.00 0.00 C ATOM 540 O ILE A 33 4.295 -3.069 -3.823 1.00 0.00 O ATOM 541 CB ILE A 33 5.465 -3.935 -1.257 1.00 0.00 C ATOM 542 CG1 ILE A 33 5.798 -4.717 0.027 1.00 0.00 C ATOM 543 CG2 ILE A 33 5.562 -2.425 -1.006 1.00 0.00 C ATOM 544 CD1 ILE A 33 4.805 -4.493 1.160 1.00 0.00 C ATOM 0 H ILE A 33 4.762 -5.886 -3.049 1.00 0.00 H new ATOM 0 HA ILE A 33 3.351 -4.335 -0.999 1.00 0.00 H new ATOM 0 HB ILE A 33 6.201 -4.178 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.834 -5.781 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.793 -4.431 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.551 -2.184 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.401 -1.890 -1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.803 -2.127 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.107 -5.077 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.785 -3.435 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.811 -4.806 0.840 1.00 0.00 H new ATOM 556 N LEU A 34 2.340 -3.002 -2.762 1.00 0.00 N ATOM 557 CA LEU A 34 1.814 -1.945 -3.585 1.00 0.00 C ATOM 558 C LEU A 34 1.590 -0.731 -2.729 1.00 0.00 C ATOM 559 O LEU A 34 0.473 -0.298 -2.491 1.00 0.00 O ATOM 560 CB LEU A 34 0.534 -2.308 -4.363 1.00 0.00 C ATOM 561 CG LEU A 34 0.665 -3.144 -5.636 1.00 0.00 C ATOM 562 CD1 LEU A 34 1.084 -4.564 -5.342 1.00 0.00 C ATOM 563 CD2 LEU A 34 -0.638 -3.108 -6.415 1.00 0.00 C ATOM 0 H LEU A 34 1.673 -3.397 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 34 2.558 -1.749 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.127 -2.844 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.032 -1.377 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 34 1.455 -2.705 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.164 -5.120 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.050 -4.561 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.341 -5.037 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.537 -3.706 -7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.441 -3.514 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.873 -2.078 -6.684 1.00 0.00 H new ATOM 575 N GLN A 35 2.646 -0.252 -2.176 1.00 0.00 N ATOM 576 CA GLN A 35 2.599 0.931 -1.384 1.00 0.00 C ATOM 577 C GLN A 35 2.994 2.086 -2.242 1.00 0.00 C ATOM 578 O GLN A 35 3.943 1.996 -3.005 1.00 0.00 O ATOM 579 CB GLN A 35 3.519 0.814 -0.192 1.00 0.00 C ATOM 580 CG GLN A 35 3.102 -0.242 0.801 1.00 0.00 C ATOM 581 CD GLN A 35 4.076 -0.397 1.945 1.00 0.00 C ATOM 582 OE1 GLN A 35 5.332 -0.139 1.700 1.00 0.00 O flip ATOM 583 NE2 GLN A 35 3.695 -0.747 3.047 1.00 0.00 N flip ATOM 0 H GLN A 35 3.573 -0.669 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 35 1.589 1.080 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.526 0.591 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.565 1.778 0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.120 0.011 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.001 -1.197 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.707 -0.941 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.364 -0.846 3.810 1.00 0.00 H new ATOM 592 N GLY A 36 2.223 3.105 -2.222 1.00 0.00 N ATOM 593 CA GLY A 36 2.545 4.258 -2.991 1.00 0.00 C ATOM 594 C GLY A 36 2.107 5.508 -2.325 1.00 0.00 C ATOM 595 O GLY A 36 1.817 5.523 -1.122 1.00 0.00 O ATOM 0 H GLY A 36 1.360 3.171 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.622 4.294 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.073 4.184 -3.971 1.00 0.00 H new ATOM 599 N CYS A 37 2.001 6.523 -3.101 1.00 0.00 N ATOM 600 CA CYS A 37 1.536 7.792 -2.672 1.00 0.00 C ATOM 601 C CYS A 37 0.291 8.102 -3.497 1.00 0.00 C ATOM 602 O CYS A 37 0.284 7.862 -4.699 1.00 0.00 O ATOM 603 CB CYS A 37 2.607 8.830 -2.960 1.00 0.00 C ATOM 604 SG CYS A 37 4.274 8.408 -2.353 1.00 0.00 S ATOM 0 H CYS A 37 2.245 6.493 -4.091 1.00 0.00 H new ATOM 0 HA CYS A 37 1.312 7.801 -1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.658 8.988 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.303 9.777 -2.513 1.00 0.00 H new ATOM 609 N SER A 38 -0.751 8.597 -2.881 1.00 0.00 N ATOM 610 CA SER A 38 -1.971 8.878 -3.600 1.00 0.00 C ATOM 611 C SER A 38 -2.508 10.251 -3.236 1.00 0.00 C ATOM 612 O SER A 38 -2.268 10.763 -2.136 1.00 0.00 O ATOM 613 CB SER A 38 -3.014 7.766 -3.356 1.00 0.00 C ATOM 614 OG SER A 38 -4.249 8.040 -3.991 1.00 0.00 O ATOM 0 H SER A 38 -0.782 8.814 -1.885 1.00 0.00 H new ATOM 0 HA SER A 38 -1.752 8.891 -4.668 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.622 6.817 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.176 7.652 -2.284 1.00 0.00 H new ATOM 0 HG SER A 38 -4.907 8.317 -3.320 1.00 0.00 H new ATOM 620 N SER A 39 -3.193 10.853 -4.168 1.00 0.00 N ATOM 621 CA SER A 39 -3.758 12.152 -3.989 1.00 0.00 C ATOM 622 C SER A 39 -5.024 12.069 -3.138 1.00 0.00 C ATOM 623 O SER A 39 -5.204 12.858 -2.201 1.00 0.00 O ATOM 624 CB SER A 39 -4.032 12.776 -5.362 1.00 0.00 C ATOM 625 OG SER A 39 -4.365 14.152 -5.261 1.00 0.00 O ATOM 0 H SER A 39 -3.374 10.445 -5.085 1.00 0.00 H new ATOM 0 HA SER A 39 -3.055 12.792 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.152 12.661 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.847 12.240 -5.848 1.00 0.00 H new ATOM 0 HG SER A 39 -3.673 14.619 -4.749 1.00 0.00 H new ATOM 631 N SER A 40 -5.865 11.126 -3.442 1.00 0.00 N ATOM 632 CA SER A 40 -7.084 10.926 -2.710 1.00 0.00 C ATOM 633 C SER A 40 -7.083 9.519 -2.098 1.00 0.00 C ATOM 634 O SER A 40 -6.072 8.803 -2.194 1.00 0.00 O ATOM 635 CB SER A 40 -8.267 11.137 -3.654 1.00 0.00 C ATOM 636 OG SER A 40 -8.217 12.447 -4.231 1.00 0.00 O ATOM 0 H SER A 40 -5.725 10.469 -4.209 1.00 0.00 H new ATOM 0 HA SER A 40 -7.169 11.643 -1.893 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.250 10.384 -4.442 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.203 11.008 -3.110 1.00 0.00 H new ATOM 0 HG SER A 40 -8.979 12.568 -4.835 1.00 0.00 H new ATOM 642 N CYS A 41 -8.159 9.131 -1.463 1.00 0.00 N ATOM 643 CA CYS A 41 -8.242 7.828 -0.855 1.00 0.00 C ATOM 644 C CYS A 41 -9.465 7.079 -1.359 1.00 0.00 C ATOM 645 O CYS A 41 -10.542 7.661 -1.531 1.00 0.00 O ATOM 646 CB CYS A 41 -8.270 7.945 0.671 1.00 0.00 C ATOM 647 SG CYS A 41 -8.421 6.345 1.536 1.00 0.00 S ATOM 0 H CYS A 41 -8.996 9.704 -1.353 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.354 7.262 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.359 8.442 1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.105 8.583 0.961 1.00 0.00 H new ATOM 652 N SER A 42 -9.288 5.811 -1.619 1.00 0.00 N ATOM 653 CA SER A 42 -10.325 4.952 -2.092 1.00 0.00 C ATOM 654 C SER A 42 -11.088 4.318 -0.910 1.00 0.00 C ATOM 655 O SER A 42 -10.694 4.482 0.249 1.00 0.00 O ATOM 656 CB SER A 42 -9.659 3.900 -2.965 1.00 0.00 C ATOM 657 OG SER A 42 -8.479 3.416 -2.332 1.00 0.00 O ATOM 0 H SER A 42 -8.391 5.340 -1.502 1.00 0.00 H new ATOM 0 HA SER A 42 -11.065 5.505 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.349 3.076 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.411 4.326 -3.937 1.00 0.00 H new ATOM 0 HG SER A 42 -8.558 2.450 -2.187 1.00 0.00 H new ATOM 663 N GLU A 43 -12.163 3.600 -1.195 1.00 0.00 N ATOM 664 CA GLU A 43 -12.965 2.964 -0.139 1.00 0.00 C ATOM 665 C GLU A 43 -12.482 1.525 0.131 1.00 0.00 C ATOM 666 O GLU A 43 -13.183 0.723 0.759 1.00 0.00 O ATOM 667 CB GLU A 43 -14.451 2.944 -0.531 1.00 0.00 C ATOM 668 CG GLU A 43 -14.754 2.133 -1.782 1.00 0.00 C ATOM 669 CD GLU A 43 -16.231 1.957 -2.020 1.00 0.00 C ATOM 670 OE1 GLU A 43 -16.863 1.153 -1.305 1.00 0.00 O ATOM 671 OE2 GLU A 43 -16.783 2.590 -2.944 1.00 0.00 O ATOM 0 H GLU A 43 -12.507 3.438 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.842 3.550 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.029 2.539 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.789 3.969 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.308 2.626 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.285 1.153 -1.696 1.00 0.00 H new ATOM 678 N THR A 44 -11.294 1.231 -0.304 1.00 0.00 N ATOM 679 CA THR A 44 -10.739 -0.075 -0.217 1.00 0.00 C ATOM 680 C THR A 44 -10.137 -0.343 1.160 1.00 0.00 C ATOM 681 O THR A 44 -9.620 0.564 1.810 1.00 0.00 O ATOM 682 CB THR A 44 -9.656 -0.191 -1.282 1.00 0.00 C ATOM 683 OG1 THR A 44 -8.882 1.024 -1.264 1.00 0.00 O ATOM 684 CG2 THR A 44 -10.261 -0.386 -2.662 1.00 0.00 C ATOM 0 H THR A 44 -10.673 1.913 -0.739 1.00 0.00 H new ATOM 0 HA THR A 44 -11.528 -0.811 -0.373 1.00 0.00 H new ATOM 0 HB THR A 44 -9.030 -1.057 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.323 1.044 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.464 -0.465 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.857 -1.298 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.897 0.466 -2.904 1.00 0.00 H new ATOM 692 N GLU A 45 -10.228 -1.569 1.607 1.00 0.00 N ATOM 693 CA GLU A 45 -9.608 -1.960 2.851 1.00 0.00 C ATOM 694 C GLU A 45 -8.296 -2.643 2.547 1.00 0.00 C ATOM 695 O GLU A 45 -7.374 -2.639 3.353 1.00 0.00 O ATOM 696 CB GLU A 45 -10.501 -2.887 3.639 1.00 0.00 C ATOM 697 CG GLU A 45 -11.853 -2.308 3.962 1.00 0.00 C ATOM 698 CD GLU A 45 -12.649 -3.221 4.832 1.00 0.00 C ATOM 699 OE1 GLU A 45 -13.253 -4.181 4.312 1.00 0.00 O ATOM 700 OE2 GLU A 45 -12.671 -3.014 6.057 1.00 0.00 O ATOM 0 H GLU A 45 -10.727 -2.318 1.127 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.438 -1.070 3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.638 -3.810 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.000 -3.154 4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.728 -1.347 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.398 -2.119 3.037 1.00 0.00 H new ATOM 707 N ASN A 46 -8.220 -3.224 1.359 1.00 0.00 N ATOM 708 CA ASN A 46 -7.007 -3.879 0.893 1.00 0.00 C ATOM 709 C ASN A 46 -5.999 -2.810 0.510 1.00 0.00 C ATOM 710 O ASN A 46 -4.791 -3.013 0.575 1.00 0.00 O ATOM 711 CB ASN A 46 -7.316 -4.792 -0.299 1.00 0.00 C ATOM 712 CG ASN A 46 -6.119 -5.599 -0.772 1.00 0.00 C ATOM 713 OD1 ASN A 46 -5.366 -5.167 -1.637 1.00 0.00 O ATOM 714 ND2 ASN A 46 -5.942 -6.776 -0.208 1.00 0.00 N ATOM 0 H ASN A 46 -8.993 -3.255 0.694 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.593 -4.503 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.119 -5.476 -0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.684 -4.184 -1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.156 -7.363 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.591 -7.101 0.509 1.00 0.00 H new ATOM 721 N ASN A 47 -6.518 -1.655 0.127 1.00 0.00 N ATOM 722 CA ASN A 47 -5.712 -0.525 -0.154 1.00 0.00 C ATOM 723 C ASN A 47 -6.047 0.535 0.845 1.00 0.00 C ATOM 724 O ASN A 47 -7.051 1.236 0.722 1.00 0.00 O ATOM 725 CB ASN A 47 -5.922 -0.036 -1.572 1.00 0.00 C ATOM 726 CG ASN A 47 -5.104 1.186 -1.893 1.00 0.00 C ATOM 727 OD1 ASN A 47 -3.959 1.082 -2.295 1.00 0.00 O ATOM 728 ND2 ASN A 47 -5.693 2.340 -1.767 1.00 0.00 N ATOM 0 H ASN A 47 -7.518 -1.495 0.008 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.658 -0.790 -0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.664 -0.834 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.978 0.189 -1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.194 3.196 -2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.653 2.388 -1.427 1.00 0.00 H new ATOM 735 N LYS A 48 -5.255 0.587 1.850 1.00 0.00 N ATOM 736 CA LYS A 48 -5.436 1.489 2.953 1.00 0.00 C ATOM 737 C LYS A 48 -4.767 2.800 2.663 1.00 0.00 C ATOM 738 O LYS A 48 -3.826 2.857 1.872 1.00 0.00 O ATOM 739 CB LYS A 48 -4.840 0.880 4.221 1.00 0.00 C ATOM 740 CG LYS A 48 -5.563 -0.356 4.700 1.00 0.00 C ATOM 741 CD LYS A 48 -4.907 -0.944 5.933 1.00 0.00 C ATOM 742 CE LYS A 48 -5.761 -2.039 6.564 1.00 0.00 C ATOM 743 NZ LYS A 48 -6.043 -3.175 5.652 1.00 0.00 N ATOM 0 H LYS A 48 -4.434 -0.011 1.942 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.503 1.658 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.795 0.630 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.854 1.628 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.601 -0.108 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.577 -1.101 3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.932 -1.352 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.732 -0.154 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.255 -2.415 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.705 -1.606 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.554 -3.918 6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.626 -2.845 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.147 -3.560 5.289 1.00 0.00 H new ATOM 757 N CYS A 49 -5.242 3.839 3.268 1.00 0.00 N ATOM 758 CA CYS A 49 -4.636 5.117 3.108 1.00 0.00 C ATOM 759 C CYS A 49 -4.410 5.710 4.469 1.00 0.00 C ATOM 760 O CYS A 49 -5.192 5.478 5.398 1.00 0.00 O ATOM 761 CB CYS A 49 -5.510 6.046 2.270 1.00 0.00 C ATOM 762 SG CYS A 49 -7.103 6.474 3.048 1.00 0.00 S ATOM 0 H CYS A 49 -6.056 3.825 3.883 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.688 4.999 2.583 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.958 6.964 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.704 5.574 1.307 1.00 0.00 H new ATOM 767 N CYS A 50 -3.332 6.380 4.618 1.00 0.00 N ATOM 768 CA CYS A 50 -3.021 7.070 5.826 1.00 0.00 C ATOM 769 C CYS A 50 -2.390 8.396 5.451 1.00 0.00 C ATOM 770 O CYS A 50 -1.750 8.496 4.401 1.00 0.00 O ATOM 771 CB CYS A 50 -2.098 6.206 6.686 1.00 0.00 C ATOM 772 SG CYS A 50 -0.660 5.559 5.788 1.00 0.00 S ATOM 0 H CYS A 50 -2.621 6.471 3.893 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.915 7.264 6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.750 6.795 7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.669 5.370 7.090 1.00 0.00 H new ATOM 777 N SER A 51 -2.602 9.415 6.234 1.00 0.00 N ATOM 778 CA SER A 51 -2.050 10.695 5.912 1.00 0.00 C ATOM 779 C SER A 51 -1.053 11.147 6.983 1.00 0.00 C ATOM 780 O SER A 51 -1.335 12.015 7.811 1.00 0.00 O ATOM 781 CB SER A 51 -3.170 11.728 5.666 1.00 0.00 C ATOM 782 OG SER A 51 -2.664 12.975 5.217 1.00 0.00 O ATOM 0 H SER A 51 -3.150 9.383 7.094 1.00 0.00 H new ATOM 0 HA SER A 51 -1.490 10.610 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.868 11.335 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.732 11.877 6.588 1.00 0.00 H new ATOM 0 HG SER A 51 -2.498 12.932 4.252 1.00 0.00 H new ATOM 788 N THR A 52 0.055 10.459 7.046 1.00 0.00 N ATOM 789 CA THR A 52 1.153 10.830 7.901 1.00 0.00 C ATOM 790 C THR A 52 2.402 10.369 7.185 1.00 0.00 C ATOM 791 O THR A 52 2.383 9.328 6.525 1.00 0.00 O ATOM 792 CB THR A 52 1.095 10.126 9.273 1.00 0.00 C ATOM 793 OG1 THR A 52 -0.266 10.014 9.729 1.00 0.00 O ATOM 794 CG2 THR A 52 1.882 10.919 10.311 1.00 0.00 C ATOM 0 H THR A 52 0.224 9.615 6.499 1.00 0.00 H new ATOM 0 HA THR A 52 1.125 11.903 8.089 1.00 0.00 H new ATOM 0 HB THR A 52 1.528 9.133 9.153 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.283 9.564 10.599 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.831 10.409 11.273 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.923 10.998 9.996 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.455 11.917 10.406 1.00 0.00 H new ATOM 802 N ASP A 53 3.464 11.088 7.293 1.00 0.00 N ATOM 803 CA ASP A 53 4.657 10.703 6.574 1.00 0.00 C ATOM 804 C ASP A 53 5.227 9.435 7.181 1.00 0.00 C ATOM 805 O ASP A 53 5.329 9.311 8.411 1.00 0.00 O ATOM 806 CB ASP A 53 5.711 11.831 6.498 1.00 0.00 C ATOM 807 CG ASP A 53 6.471 12.083 7.778 1.00 0.00 C ATOM 808 OD1 ASP A 53 5.990 12.848 8.644 1.00 0.00 O ATOM 809 OD2 ASP A 53 7.582 11.553 7.924 1.00 0.00 O ATOM 0 H ASP A 53 3.545 11.933 7.858 1.00 0.00 H new ATOM 0 HA ASP A 53 4.374 10.508 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.425 11.588 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.212 12.754 6.202 1.00 0.00 H new ATOM 814 N ARG A 54 5.514 8.472 6.309 1.00 0.00 N ATOM 815 CA ARG A 54 6.049 7.159 6.668 1.00 0.00 C ATOM 816 C ARG A 54 5.007 6.310 7.412 1.00 0.00 C ATOM 817 O ARG A 54 5.357 5.400 8.168 1.00 0.00 O ATOM 818 CB ARG A 54 7.363 7.302 7.470 1.00 0.00 C ATOM 819 CG ARG A 54 8.462 8.071 6.725 1.00 0.00 C ATOM 820 CD ARG A 54 9.697 8.314 7.597 1.00 0.00 C ATOM 821 NE ARG A 54 10.424 7.082 7.947 1.00 0.00 N ATOM 822 CZ ARG A 54 10.379 6.473 9.139 1.00 0.00 C ATOM 823 NH1 ARG A 54 9.583 6.941 10.102 1.00 0.00 N ATOM 824 NH2 ARG A 54 11.139 5.397 9.365 1.00 0.00 N ATOM 0 H ARG A 54 5.377 8.585 5.305 1.00 0.00 H new ATOM 0 HA ARG A 54 6.285 6.627 5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.150 7.810 8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.734 6.309 7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.753 7.513 5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.066 9.028 6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.374 8.989 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.391 8.818 8.514 1.00 0.00 H new ATOM 0 HE ARG A 54 11.008 6.659 7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.006 7.765 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.551 6.475 11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.751 5.042 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.107 4.931 10.272 1.00 0.00 H new ATOM 838 N CYS A 55 3.723 6.581 7.162 1.00 0.00 N ATOM 839 CA CYS A 55 2.656 5.805 7.795 1.00 0.00 C ATOM 840 C CYS A 55 2.448 4.458 7.112 1.00 0.00 C ATOM 841 O CYS A 55 1.975 3.509 7.739 1.00 0.00 O ATOM 842 CB CYS A 55 1.348 6.568 7.791 1.00 0.00 C ATOM 843 SG CYS A 55 0.740 6.961 6.127 1.00 0.00 S ATOM 0 H CYS A 55 3.402 7.320 6.536 1.00 0.00 H new ATOM 0 HA CYS A 55 2.972 5.630 8.823 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.593 5.981 8.315 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.476 7.495 8.350 1.00 0.00 H new ATOM 848 N ASN A 56 2.786 4.359 5.831 1.00 0.00 N ATOM 849 CA ASN A 56 2.613 3.105 5.115 1.00 0.00 C ATOM 850 C ASN A 56 3.803 2.190 5.370 1.00 0.00 C ATOM 851 O ASN A 56 4.677 1.986 4.533 1.00 0.00 O ATOM 852 CB ASN A 56 2.282 3.300 3.609 1.00 0.00 C ATOM 853 CG ASN A 56 3.364 3.986 2.796 1.00 0.00 C ATOM 854 OD1 ASN A 56 4.174 4.762 3.322 1.00 0.00 O ATOM 855 ND2 ASN A 56 3.340 3.771 1.504 1.00 0.00 N ATOM 0 H ASN A 56 3.175 5.121 5.276 1.00 0.00 H new ATOM 0 HA ASN A 56 1.729 2.607 5.513 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.081 2.324 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.364 3.882 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.003 4.250 0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.658 3.125 1.107 1.00 0.00 H new ATOM 862 N LYS A 57 3.850 1.714 6.581 1.00 0.00 N ATOM 863 CA LYS A 57 4.950 0.962 7.095 1.00 0.00 C ATOM 864 C LYS A 57 4.623 -0.545 7.191 1.00 0.00 C ATOM 865 O LYS A 57 3.803 -0.958 8.047 1.00 0.00 O ATOM 866 CB LYS A 57 5.397 1.581 8.442 1.00 0.00 C ATOM 867 CG LYS A 57 4.292 1.641 9.495 1.00 0.00 C ATOM 868 CD LYS A 57 4.691 2.300 10.824 1.00 0.00 C ATOM 869 CE LYS A 57 5.734 1.514 11.634 1.00 0.00 C ATOM 870 NZ LYS A 57 7.108 1.603 11.091 1.00 0.00 N ATOM 871 OXT LYS A 57 5.207 -1.334 6.410 1.00 0.00 O ATOM 0 H LYS A 57 3.097 1.845 7.257 1.00 0.00 H new ATOM 0 HA LYS A 57 5.789 1.021 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.231 1.001 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.768 2.590 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.444 2.185 9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.951 0.626 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.084 3.296 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.797 2.430 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.735 1.882 12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.436 0.466 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.377 0.688 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.144 2.339 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.769 1.844 11.857 1.00 0.00 H new TER 885 LYS A 57