USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=17 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= -4.67! C(o=-9.2!,f=-23!) USER MOD Set 1.2: A 47 ASN :FLIP amide:sc= -4.52! C(o=-13!,f=-9.2!) USER MOD Set 2.1: A 23 THR OG1 : rot 36:sc= -0.299! USER MOD Set 2.2: A 46 ASN : amide:sc= -5.74! C(o=-6!,f=-8.1!) USER MOD Set 3.1: A 21 HIS : no HE2:sc= -9.81! C(o=-28!,f=-31!) USER MOD Set 3.2: A 35 GLN : amide:sc= -17.9! C(o=-28!,f=-36!) USER MOD Single : A 1 LEU N :NH3+ -116:sc= 1.02 (180deg=-0.531) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 15:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -2.68! C(o=-2.7!,f=-7!) USER MOD Single : A 6 HIS : no HD1:sc= -0.82 X(o=-0.82,f=-0.32) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.48) 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 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -3.88! C(o=-5!,f=-3.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 57:sc= 0.0733 USER MOD Single : A 44 THR OG1 : rot 21:sc= 1.01 USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= -1.11 (180deg=-2.43!) USER MOD Single : A 51 SER OG : rot -71:sc= 0.678 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -6.4! C(o=-6.4!,f=-6.6!) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.274 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.969 -4.692 -10.393 1.00 0.00 N ATOM 2 CA LEU A 1 0.994 -4.532 -9.277 1.00 0.00 C ATOM 3 C LEU A 1 1.574 -5.146 -8.006 1.00 0.00 C ATOM 4 O LEU A 1 0.973 -6.036 -7.405 1.00 0.00 O ATOM 5 CB LEU A 1 -0.317 -5.234 -9.643 1.00 0.00 C ATOM 6 CG LEU A 1 -0.985 -4.500 -10.807 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.708 -5.511 -11.699 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.997 -3.491 -10.260 1.00 0.00 C ATOM 0 H1 LEU A 1 2.289 -3.755 -10.711 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.787 -5.244 -10.063 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.512 -5.189 -11.184 1.00 0.00 H new ATOM 0 HA LEU A 1 0.799 -3.473 -9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -0.122 -6.271 -9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.984 -5.253 -8.781 1.00 0.00 H new ATOM 0 HG LEU A 1 -0.227 -3.977 -11.389 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -2.184 -4.989 -12.529 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.989 -6.232 -12.089 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -2.466 -6.034 -11.116 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -2.473 -2.968 -11.089 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -2.755 -4.015 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.484 -2.771 -9.623 1.00 0.00 H new ATOM 22 N LYS A 2 2.747 -4.667 -7.604 1.00 0.00 N ATOM 23 CA LYS A 2 3.397 -5.180 -6.403 1.00 0.00 C ATOM 24 C LYS A 2 3.743 -4.043 -5.446 1.00 0.00 C ATOM 25 O LYS A 2 3.906 -2.896 -5.861 1.00 0.00 O ATOM 26 CB LYS A 2 4.674 -5.932 -6.786 1.00 0.00 C ATOM 27 CG LYS A 2 5.724 -4.937 -7.290 1.00 0.00 C ATOM 28 CD LYS A 2 6.181 -5.335 -8.693 1.00 0.00 C ATOM 29 CE LYS A 2 7.426 -4.532 -9.073 1.00 0.00 C ATOM 30 NZ LYS A 2 8.613 -5.434 -9.085 1.00 0.00 N ATOM 0 H LYS A 2 3.263 -3.931 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 2 2.707 -5.859 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.059 -6.478 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.456 -6.669 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.307 -3.930 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.577 -4.919 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.400 -6.402 -8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.383 -5.151 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.292 -4.076 -10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.580 -3.720 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.460 -4.889 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.743 -5.849 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.465 -6.194 -9.780 1.00 0.00 H new ATOM 44 N CYS A 3 3.860 -4.372 -4.165 1.00 0.00 N ATOM 45 CA CYS A 3 4.195 -3.377 -3.154 1.00 0.00 C ATOM 46 C CYS A 3 4.869 -4.042 -1.957 1.00 0.00 C ATOM 47 O CYS A 3 5.121 -5.247 -1.968 1.00 0.00 O ATOM 48 CB CYS A 3 2.933 -2.641 -2.695 1.00 0.00 C ATOM 49 SG CYS A 3 1.522 -3.159 -3.706 1.00 0.00 S ATOM 0 H CYS A 3 3.728 -5.316 -3.803 1.00 0.00 H new ATOM 0 HA CYS A 3 4.886 -2.658 -3.594 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.738 -2.855 -1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.077 -1.564 -2.780 1.00 0.00 H new ATOM 54 N TYR A 4 5.160 -3.253 -0.927 1.00 0.00 N ATOM 55 CA TYR A 4 5.805 -3.783 0.268 1.00 0.00 C ATOM 56 C TYR A 4 4.783 -3.995 1.374 1.00 0.00 C ATOM 57 O TYR A 4 4.446 -3.069 2.112 1.00 0.00 O ATOM 58 CB TYR A 4 6.893 -2.823 0.748 1.00 0.00 C ATOM 59 CG TYR A 4 8.130 -3.024 -0.088 1.00 0.00 C ATOM 60 CD1 TYR A 4 8.949 -4.135 0.139 1.00 0.00 C ATOM 61 CD2 TYR A 4 8.456 -2.107 -1.094 1.00 0.00 C ATOM 62 CE1 TYR A 4 10.095 -4.330 -0.638 1.00 0.00 C ATOM 63 CE2 TYR A 4 9.604 -2.301 -1.871 1.00 0.00 C ATOM 64 CZ TYR A 4 10.424 -3.414 -1.644 1.00 0.00 C ATOM 65 OH TYR A 4 11.554 -3.606 -2.410 1.00 0.00 O ATOM 0 H TYR A 4 4.961 -2.253 -0.896 1.00 0.00 H new ATOM 0 HA TYR A 4 6.258 -4.742 0.019 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.548 -1.792 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.116 -3.003 1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.696 -4.843 0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.822 -1.250 -1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.727 -5.188 -0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.858 -1.593 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 4 11.876 -4.524 -2.294 1.00 0.00 H new ATOM 75 N GLN A 5 4.288 -5.219 1.472 1.00 0.00 N ATOM 76 CA GLN A 5 3.291 -5.550 2.486 1.00 0.00 C ATOM 77 C GLN A 5 3.935 -6.205 3.704 1.00 0.00 C ATOM 78 O GLN A 5 3.446 -6.057 4.824 1.00 0.00 O ATOM 79 CB GLN A 5 2.245 -6.494 1.895 1.00 0.00 C ATOM 80 CG GLN A 5 1.117 -6.701 2.908 1.00 0.00 C ATOM 81 CD GLN A 5 -0.216 -6.849 2.183 1.00 0.00 C ATOM 82 OE1 GLN A 5 -0.252 -6.908 0.954 1.00 0.00 O ATOM 83 NE2 GLN A 5 -1.320 -6.913 2.875 1.00 0.00 N ATOM 0 H GLN A 5 4.556 -5.996 0.868 1.00 0.00 H new ATOM 0 HA GLN A 5 2.816 -4.623 2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.846 -6.079 0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.703 -7.451 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.315 -7.590 3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.075 -5.856 3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.287 -6.864 3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.216 -7.012 2.398 1.00 0.00 H new ATOM 92 N HIS A 6 5.022 -6.936 3.484 1.00 0.00 N ATOM 93 CA HIS A 6 5.703 -7.612 4.583 1.00 0.00 C ATOM 94 C HIS A 6 7.215 -7.448 4.474 1.00 0.00 C ATOM 95 O HIS A 6 7.965 -8.406 4.656 1.00 0.00 O ATOM 96 CB HIS A 6 5.352 -9.101 4.572 1.00 0.00 C ATOM 97 CG HIS A 6 3.886 -9.274 4.861 1.00 0.00 C ATOM 98 ND1 HIS A 6 3.078 -10.110 4.107 1.00 0.00 N ATOM 99 CD2 HIS A 6 3.069 -8.728 5.820 1.00 0.00 C ATOM 100 CE1 HIS A 6 1.835 -10.043 4.619 1.00 0.00 C ATOM 101 NE2 HIS A 6 1.774 -9.215 5.664 1.00 0.00 N ATOM 0 H HIS A 6 5.447 -7.075 2.567 1.00 0.00 H new ATOM 0 HA HIS A 6 5.371 -7.160 5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.596 -9.536 3.603 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.945 -9.631 5.317 1.00 0.00 H new ATOM 0 HD2 HIS A 6 3.383 -8.027 6.580 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.990 -10.592 4.231 1.00 0.00 H new ATOM 0 HE2 HIS A 6 0.955 -8.988 6.227 1.00 0.00 H new ATOM 109 N GLY A 7 7.659 -6.231 4.173 1.00 0.00 N ATOM 110 CA GLY A 7 9.088 -5.967 4.042 1.00 0.00 C ATOM 111 C GLY A 7 9.569 -6.337 2.646 1.00 0.00 C ATOM 112 O GLY A 7 10.396 -5.642 2.056 1.00 0.00 O ATOM 0 H GLY A 7 7.058 -5.421 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.289 -4.913 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.640 -6.539 4.788 1.00 0.00 H new ATOM 116 N LYS A 8 9.031 -7.431 2.119 1.00 0.00 N ATOM 117 CA LYS A 8 9.395 -7.881 0.783 1.00 0.00 C ATOM 118 C LYS A 8 8.427 -7.295 -0.236 1.00 0.00 C ATOM 119 O LYS A 8 7.524 -6.537 0.121 1.00 0.00 O ATOM 120 CB LYS A 8 9.357 -9.408 0.711 1.00 0.00 C ATOM 121 CG LYS A 8 9.623 -9.993 2.101 1.00 0.00 C ATOM 122 CD LYS A 8 10.349 -11.333 1.965 1.00 0.00 C ATOM 123 CE LYS A 8 10.904 -11.752 3.327 1.00 0.00 C ATOM 124 NZ LYS A 8 11.810 -12.923 3.157 1.00 0.00 N ATOM 0 H LYS A 8 8.346 -8.019 2.594 1.00 0.00 H new ATOM 0 HA LYS A 8 10.407 -7.542 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.386 -9.741 0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.105 -9.768 0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.225 -9.300 2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.683 -10.130 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.664 -12.093 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.159 -11.248 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.446 -10.923 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.087 -12.006 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.187 -13.208 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.279 -13.715 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.597 -12.665 2.528 1.00 0.00 H new ATOM 138 N VAL A 9 8.613 -7.641 -1.502 1.00 0.00 N ATOM 139 CA VAL A 9 7.739 -7.130 -2.550 1.00 0.00 C ATOM 140 C VAL A 9 6.665 -8.152 -2.906 1.00 0.00 C ATOM 141 O VAL A 9 6.931 -9.134 -3.598 1.00 0.00 O ATOM 142 CB VAL A 9 8.559 -6.793 -3.796 1.00 0.00 C ATOM 143 CG1 VAL A 9 8.025 -5.507 -4.426 1.00 0.00 C ATOM 144 CG2 VAL A 9 10.026 -6.597 -3.401 1.00 0.00 C ATOM 0 H VAL A 9 9.351 -8.265 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 9 7.253 -6.228 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 9 8.481 -7.608 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.610 -5.267 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.981 -5.645 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.103 -4.690 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.613 -6.357 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.103 -5.781 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.407 -7.514 -2.951 1.00 0.00 H new ATOM 154 N VAL A 10 5.449 -7.908 -2.429 1.00 0.00 N ATOM 155 CA VAL A 10 4.335 -8.808 -2.705 1.00 0.00 C ATOM 156 C VAL A 10 3.615 -8.382 -3.979 1.00 0.00 C ATOM 157 O VAL A 10 3.604 -7.203 -4.333 1.00 0.00 O ATOM 158 CB VAL A 10 3.353 -8.801 -1.534 1.00 0.00 C ATOM 159 CG1 VAL A 10 4.022 -9.416 -0.303 1.00 0.00 C ATOM 160 CG2 VAL A 10 2.941 -7.360 -1.224 1.00 0.00 C ATOM 0 H VAL A 10 5.211 -7.100 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 10 4.728 -9.816 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 10 2.470 -9.384 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.322 -9.411 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.317 -10.442 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.905 -8.834 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.241 -7.353 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.824 -6.778 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.465 -6.921 -2.101 1.00 0.00 H new ATOM 170 N THR A 11 3.015 -9.347 -4.667 1.00 0.00 N ATOM 171 CA THR A 11 2.299 -9.055 -5.901 1.00 0.00 C ATOM 172 C THR A 11 0.791 -9.054 -5.664 1.00 0.00 C ATOM 173 O THR A 11 0.069 -9.904 -6.185 1.00 0.00 O ATOM 174 CB THR A 11 2.658 -10.092 -6.968 1.00 0.00 C ATOM 175 OG1 THR A 11 3.865 -10.745 -6.601 1.00 0.00 O ATOM 176 CG2 THR A 11 2.842 -9.396 -8.317 1.00 0.00 C ATOM 0 H THR A 11 3.010 -10.330 -4.394 1.00 0.00 H new ATOM 0 HA THR A 11 2.594 -8.064 -6.246 1.00 0.00 H new ATOM 0 HB THR A 11 1.856 -10.826 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.097 -11.411 -7.282 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.098 -10.135 -9.076 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.916 -8.894 -8.597 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.644 -8.662 -8.241 1.00 0.00 H new ATOM 184 N CYS A 12 0.320 -8.091 -4.877 1.00 0.00 N ATOM 185 CA CYS A 12 -1.104 -7.988 -4.582 1.00 0.00 C ATOM 186 C CYS A 12 -1.919 -8.182 -5.856 1.00 0.00 C ATOM 187 O CYS A 12 -1.641 -7.559 -6.881 1.00 0.00 O ATOM 188 CB CYS A 12 -1.414 -6.620 -3.970 1.00 0.00 C ATOM 189 SG CYS A 12 -0.003 -6.076 -2.973 1.00 0.00 S ATOM 0 H CYS A 12 0.899 -7.377 -4.436 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.372 -8.767 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.619 -5.895 -4.757 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.309 -6.680 -3.351 1.00 0.00 H new ATOM 194 N HIS A 13 -2.918 -9.056 -5.793 1.00 0.00 N ATOM 195 CA HIS A 13 -3.753 -9.327 -6.957 1.00 0.00 C ATOM 196 C HIS A 13 -5.124 -9.849 -6.536 1.00 0.00 C ATOM 197 O HIS A 13 -5.583 -9.593 -5.423 1.00 0.00 O ATOM 198 CB HIS A 13 -3.068 -10.362 -7.852 1.00 0.00 C ATOM 199 CG HIS A 13 -3.258 -9.985 -9.295 1.00 0.00 C ATOM 200 ND1 HIS A 13 -3.649 -10.906 -10.253 1.00 0.00 N ATOM 201 CD2 HIS A 13 -3.113 -8.792 -9.957 1.00 0.00 C ATOM 202 CE1 HIS A 13 -3.725 -10.258 -11.430 1.00 0.00 C ATOM 203 NE2 HIS A 13 -3.409 -8.967 -11.306 1.00 0.00 N ATOM 0 H HIS A 13 -3.167 -9.584 -4.957 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.890 -8.395 -7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.005 -10.415 -7.616 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.485 -11.352 -7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.815 -7.859 -9.501 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.007 -10.726 -12.362 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.389 -8.261 -12.042 1.00 0.00 H new ATOM 211 N ARG A 14 -5.769 -10.583 -7.437 1.00 0.00 N ATOM 212 CA ARG A 14 -7.086 -11.141 -7.156 1.00 0.00 C ATOM 213 C ARG A 14 -8.104 -10.027 -6.929 1.00 0.00 C ATOM 214 O ARG A 14 -9.297 -10.285 -6.771 1.00 0.00 O ATOM 215 CB ARG A 14 -7.022 -12.037 -5.918 1.00 0.00 C ATOM 216 CG ARG A 14 -8.378 -12.713 -5.706 1.00 0.00 C ATOM 217 CD ARG A 14 -8.167 -14.104 -5.107 1.00 0.00 C ATOM 218 NE ARG A 14 -9.359 -14.528 -4.381 1.00 0.00 N ATOM 219 CZ ARG A 14 -9.473 -15.767 -3.915 1.00 0.00 C ATOM 220 NH1 ARG A 14 -8.510 -16.626 -4.105 1.00 0.00 N ATOM 221 NH2 ARG A 14 -10.549 -16.125 -3.268 1.00 0.00 N ATOM 0 H ARG A 14 -5.403 -10.804 -8.363 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.399 -11.733 -8.016 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.244 -12.790 -6.041 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.758 -11.446 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.997 -12.110 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.910 -12.791 -6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.942 -14.818 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.309 -14.092 -4.435 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.117 -13.863 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.670 -16.346 -4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.597 -17.577 -3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.302 -15.453 -3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.636 -17.076 -2.910 1.00 0.00 H new ATOM 235 N ASP A 15 -7.623 -8.789 -6.913 1.00 0.00 N ATOM 236 CA ASP A 15 -8.499 -7.643 -6.705 1.00 0.00 C ATOM 237 C ASP A 15 -7.683 -6.402 -6.363 1.00 0.00 C ATOM 238 O ASP A 15 -7.956 -5.310 -6.860 1.00 0.00 O ATOM 239 CB ASP A 15 -9.485 -7.939 -5.572 1.00 0.00 C ATOM 240 CG ASP A 15 -8.859 -8.912 -4.580 1.00 0.00 C ATOM 241 OD1 ASP A 15 -7.645 -9.034 -4.584 1.00 0.00 O ATOM 242 OD2 ASP A 15 -9.603 -9.522 -3.828 1.00 0.00 O ATOM 0 H ASP A 15 -6.639 -8.554 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.051 -7.457 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.757 -7.014 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.404 -8.362 -5.979 1.00 0.00 H new ATOM 247 N MET A 16 -6.678 -6.580 -5.512 1.00 0.00 N ATOM 248 CA MET A 16 -5.824 -5.474 -5.108 1.00 0.00 C ATOM 249 C MET A 16 -5.023 -4.954 -6.297 1.00 0.00 C ATOM 250 O MET A 16 -4.070 -5.594 -6.742 1.00 0.00 O ATOM 251 CB MET A 16 -4.868 -5.940 -4.012 1.00 0.00 C ATOM 252 CG MET A 16 -5.672 -6.511 -2.842 1.00 0.00 C ATOM 253 SD MET A 16 -4.672 -7.736 -1.960 1.00 0.00 S ATOM 254 CE MET A 16 -5.694 -7.833 -0.469 1.00 0.00 C ATOM 0 H MET A 16 -6.437 -7.477 -5.091 1.00 0.00 H new ATOM 0 HA MET A 16 -6.452 -4.667 -4.730 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.189 -6.697 -4.405 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.253 -5.106 -3.672 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.966 -5.710 -2.164 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.590 -6.971 -3.208 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.254 -8.546 0.228 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.746 -6.851 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.699 -8.160 -0.737 1.00 0.00 H new ATOM 264 N LYS A 17 -5.417 -3.793 -6.810 1.00 0.00 N ATOM 265 CA LYS A 17 -4.726 -3.203 -7.949 1.00 0.00 C ATOM 266 C LYS A 17 -4.077 -1.878 -7.559 1.00 0.00 C ATOM 267 O LYS A 17 -3.638 -1.115 -8.420 1.00 0.00 O ATOM 268 CB LYS A 17 -5.713 -2.975 -9.096 1.00 0.00 C ATOM 269 CG LYS A 17 -6.305 -4.317 -9.534 1.00 0.00 C ATOM 270 CD LYS A 17 -6.797 -4.213 -10.980 1.00 0.00 C ATOM 271 CE LYS A 17 -7.481 -5.521 -11.381 1.00 0.00 C ATOM 272 NZ LYS A 17 -7.413 -5.683 -12.862 1.00 0.00 N ATOM 0 H LYS A 17 -6.204 -3.247 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.946 -3.892 -8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.508 -2.301 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.208 -2.497 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.554 -5.102 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.130 -4.594 -8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.494 -3.381 -11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.959 -4.009 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.995 -6.364 -10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.520 -5.516 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.878 -6.572 -13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.896 -4.884 -13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.418 -5.706 -13.163 1.00 0.00 H new ATOM 286 N PHE A 18 -4.018 -1.612 -6.258 1.00 0.00 N ATOM 287 CA PHE A 18 -3.419 -0.377 -5.767 1.00 0.00 C ATOM 288 C PHE A 18 -2.742 -0.601 -4.420 1.00 0.00 C ATOM 289 O PHE A 18 -3.272 -1.298 -3.555 1.00 0.00 O ATOM 290 CB PHE A 18 -4.493 0.702 -5.618 1.00 0.00 C ATOM 291 CG PHE A 18 -5.152 0.949 -6.954 1.00 0.00 C ATOM 292 CD1 PHE A 18 -6.158 0.088 -7.409 1.00 0.00 C ATOM 293 CD2 PHE A 18 -4.759 2.041 -7.737 1.00 0.00 C ATOM 294 CE1 PHE A 18 -6.768 0.319 -8.648 1.00 0.00 C ATOM 295 CE2 PHE A 18 -5.369 2.271 -8.975 1.00 0.00 C ATOM 296 CZ PHE A 18 -6.374 1.410 -9.431 1.00 0.00 C ATOM 0 H PHE A 18 -4.375 -2.230 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.669 -0.053 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.238 0.389 -4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.047 1.624 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.463 -0.754 -6.805 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.984 2.706 -7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.543 -0.345 -9.000 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.064 3.113 -9.579 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.845 1.587 -10.386 1.00 0.00 H new ATOM 306 N CYS A 19 -1.577 0.010 -4.243 1.00 0.00 N ATOM 307 CA CYS A 19 -0.844 -0.111 -2.990 1.00 0.00 C ATOM 308 C CYS A 19 -1.076 1.138 -2.154 1.00 0.00 C ATOM 309 O CYS A 19 -1.171 2.241 -2.692 1.00 0.00 O ATOM 310 CB CYS A 19 0.653 -0.283 -3.259 1.00 0.00 C ATOM 311 SG CYS A 19 0.898 -1.461 -4.614 1.00 0.00 S ATOM 0 H CYS A 19 -1.122 0.591 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.201 -0.989 -2.451 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.099 0.678 -3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.156 -0.639 -2.360 1.00 0.00 H new ATOM 316 N TYR A 20 -1.186 0.972 -0.842 1.00 0.00 N ATOM 317 CA TYR A 20 -1.427 2.117 0.021 1.00 0.00 C ATOM 318 C TYR A 20 -0.426 2.179 1.166 1.00 0.00 C ATOM 319 O TYR A 20 0.012 1.156 1.689 1.00 0.00 O ATOM 320 CB TYR A 20 -2.846 2.056 0.585 1.00 0.00 C ATOM 321 CG TYR A 20 -2.908 1.060 1.718 1.00 0.00 C ATOM 322 CD1 TYR A 20 -2.394 1.399 2.975 1.00 0.00 C ATOM 323 CD2 TYR A 20 -3.486 -0.199 1.515 1.00 0.00 C ATOM 324 CE1 TYR A 20 -2.456 0.479 4.028 1.00 0.00 C ATOM 325 CE2 TYR A 20 -3.547 -1.119 2.567 1.00 0.00 C ATOM 326 CZ TYR A 20 -3.033 -0.781 3.825 1.00 0.00 C ATOM 327 OH TYR A 20 -3.095 -1.688 4.863 1.00 0.00 O ATOM 0 H TYR A 20 -1.114 0.075 -0.362 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.307 3.017 -0.583 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.148 3.042 0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.546 1.771 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.949 2.371 3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.885 -0.460 0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.059 0.741 4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.991 -2.091 2.409 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.526 -2.511 4.553 1.00 0.00 H new ATOM 337 N HIS A 21 -0.087 3.402 1.547 1.00 0.00 N ATOM 338 CA HIS A 21 0.849 3.632 2.639 1.00 0.00 C ATOM 339 C HIS A 21 0.145 4.372 3.769 1.00 0.00 C ATOM 340 O HIS A 21 0.088 5.601 3.779 1.00 0.00 O ATOM 341 CB HIS A 21 2.041 4.455 2.145 1.00 0.00 C ATOM 342 CG HIS A 21 3.162 4.366 3.143 1.00 0.00 C ATOM 343 ND1 HIS A 21 4.433 3.941 2.790 1.00 0.00 N ATOM 344 CD2 HIS A 21 3.219 4.641 4.486 1.00 0.00 C ATOM 345 CE1 HIS A 21 5.193 3.971 3.899 1.00 0.00 C ATOM 346 NE2 HIS A 21 4.502 4.391 4.962 1.00 0.00 N ATOM 0 H HIS A 21 -0.447 4.253 1.115 1.00 0.00 H new ATOM 0 HA HIS A 21 1.211 2.671 3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.374 4.086 1.175 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.746 5.495 2.006 1.00 0.00 H new ATOM 0 HD1 HIS A 21 4.737 3.657 1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.393 4.998 5.083 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.235 3.690 3.927 1.00 0.00 H new ATOM 354 N ASN A 22 -0.410 3.615 4.709 1.00 0.00 N ATOM 355 CA ASN A 22 -1.131 4.212 5.826 1.00 0.00 C ATOM 356 C ASN A 22 -0.172 4.781 6.866 1.00 0.00 C ATOM 357 O ASN A 22 0.630 4.054 7.453 1.00 0.00 O ATOM 358 CB ASN A 22 -2.031 3.165 6.483 1.00 0.00 C ATOM 359 CG ASN A 22 -2.560 3.693 7.812 1.00 0.00 C ATOM 360 OD1 ASN A 22 -2.454 4.888 8.093 1.00 0.00 O ATOM 361 ND2 ASN A 22 -3.127 2.871 8.651 1.00 0.00 N ATOM 0 H ASN A 22 -0.375 2.596 4.720 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.737 5.029 5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.863 2.922 5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.472 2.243 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.484 3.217 9.542 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.214 1.882 8.416 1.00 0.00 H new ATOM 368 N THR A 23 -0.278 6.084 7.099 1.00 0.00 N ATOM 369 CA THR A 23 0.568 6.746 8.083 1.00 0.00 C ATOM 370 C THR A 23 -0.203 6.926 9.385 1.00 0.00 C ATOM 371 O THR A 23 0.383 7.172 10.439 1.00 0.00 O ATOM 372 CB THR A 23 1.018 8.112 7.559 1.00 0.00 C ATOM 373 OG1 THR A 23 -0.084 9.007 7.568 1.00 0.00 O ATOM 374 CG2 THR A 23 1.547 7.965 6.131 1.00 0.00 C ATOM 0 H THR A 23 -0.937 6.699 6.623 1.00 0.00 H new ATOM 0 HA THR A 23 1.448 6.129 8.264 1.00 0.00 H new ATOM 0 HB THR A 23 1.810 8.503 8.198 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.651 8.819 8.345 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.867 8.939 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.394 7.278 6.125 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.758 7.573 5.489 1.00 0.00 H new ATOM 382 N GLY A 24 -1.526 6.798 9.300 1.00 0.00 N ATOM 383 CA GLY A 24 -2.378 6.944 10.475 1.00 0.00 C ATOM 384 C GLY A 24 -1.928 8.119 11.335 1.00 0.00 C ATOM 385 O GLY A 24 -1.128 8.948 10.904 1.00 0.00 O ATOM 0 H GLY A 24 -2.027 6.595 8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.412 7.093 10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.352 6.027 11.064 1.00 0.00 H new ATOM 389 N MET A 25 -2.449 8.181 12.557 1.00 0.00 N ATOM 390 CA MET A 25 -2.096 9.258 13.475 1.00 0.00 C ATOM 391 C MET A 25 -0.658 9.098 13.960 1.00 0.00 C ATOM 392 O MET A 25 -0.034 8.057 13.756 1.00 0.00 O ATOM 393 CB MET A 25 -3.048 9.254 14.673 1.00 0.00 C ATOM 394 CG MET A 25 -4.109 8.169 14.478 1.00 0.00 C ATOM 395 SD MET A 25 -5.381 8.335 15.755 1.00 0.00 S ATOM 396 CE MET A 25 -6.789 7.824 14.739 1.00 0.00 C ATOM 0 H MET A 25 -3.112 7.503 12.932 1.00 0.00 H new ATOM 0 HA MET A 25 -2.184 10.207 12.946 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.492 9.072 15.593 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.524 10.229 14.776 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.558 8.257 13.489 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.650 7.182 14.533 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.699 7.853 15.338 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.891 8.502 13.891 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.626 6.810 14.375 1.00 0.00 H new ATOM 406 N PRO A 26 -0.131 10.110 14.593 1.00 0.00 N ATOM 407 CA PRO A 26 1.261 10.097 15.123 1.00 0.00 C ATOM 408 C PRO A 26 1.606 8.774 15.803 1.00 0.00 C ATOM 409 O PRO A 26 2.424 8.003 15.304 1.00 0.00 O ATOM 410 CB PRO A 26 1.270 11.248 16.127 1.00 0.00 C ATOM 411 CG PRO A 26 0.229 12.204 15.643 1.00 0.00 C ATOM 412 CD PRO A 26 -0.811 11.383 14.876 1.00 0.00 C ATOM 0 HA PRO A 26 2.004 10.207 14.333 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.042 10.894 17.132 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.250 11.723 16.171 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.233 12.727 16.480 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.672 12.963 14.999 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.713 11.229 15.469 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.115 11.885 13.957 1.00 0.00 H new ATOM 420 N PHE A 27 0.974 8.519 16.944 1.00 0.00 N ATOM 421 CA PHE A 27 1.219 7.287 17.683 1.00 0.00 C ATOM 422 C PHE A 27 2.713 7.093 17.922 1.00 0.00 C ATOM 423 O PHE A 27 3.545 7.634 17.193 1.00 0.00 O ATOM 424 CB PHE A 27 0.667 6.093 16.904 1.00 0.00 C ATOM 425 CG PHE A 27 -0.661 5.677 17.491 1.00 0.00 C ATOM 426 CD1 PHE A 27 -1.845 6.258 17.022 1.00 0.00 C ATOM 427 CD2 PHE A 27 -0.707 4.711 18.504 1.00 0.00 C ATOM 428 CE1 PHE A 27 -3.076 5.873 17.567 1.00 0.00 C ATOM 429 CE2 PHE A 27 -1.938 4.327 19.048 1.00 0.00 C ATOM 430 CZ PHE A 27 -3.123 4.907 18.579 1.00 0.00 C ATOM 0 H PHE A 27 0.293 9.145 17.374 1.00 0.00 H new ATOM 0 HA PHE A 27 0.714 7.357 18.647 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.545 6.356 15.853 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.371 5.262 16.945 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.809 7.003 16.240 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.207 4.263 18.865 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.990 6.322 17.206 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.974 3.583 19.830 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.073 4.609 18.998 1.00 0.00 H new ATOM 440 N ARG A 28 3.044 6.318 18.949 1.00 0.00 N ATOM 441 CA ARG A 28 4.439 6.056 19.278 1.00 0.00 C ATOM 442 C ARG A 28 4.565 4.765 20.081 1.00 0.00 C ATOM 443 O ARG A 28 4.374 4.758 21.297 1.00 0.00 O ATOM 444 CB ARG A 28 5.012 7.219 20.090 1.00 0.00 C ATOM 445 CG ARG A 28 6.528 7.278 19.896 1.00 0.00 C ATOM 446 CD ARG A 28 7.088 8.504 20.619 1.00 0.00 C ATOM 447 NE ARG A 28 6.343 9.698 20.238 1.00 0.00 N ATOM 448 CZ ARG A 28 6.663 10.391 19.150 1.00 0.00 C ATOM 449 NH1 ARG A 28 7.661 10.006 18.402 1.00 0.00 N ATOM 450 NH2 ARG A 28 5.979 11.455 18.829 1.00 0.00 N ATOM 0 H ARG A 28 2.370 5.863 19.564 1.00 0.00 H new ATOM 0 HA ARG A 28 4.998 5.951 18.348 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.557 8.157 19.772 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.774 7.091 21.146 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.991 6.371 20.285 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.768 7.328 18.834 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.028 8.358 21.698 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.142 8.630 20.373 1.00 0.00 H new ATOM 0 HE ARG A 28 5.562 10.007 20.817 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.195 9.174 18.653 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.907 10.537 17.567 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.199 11.755 19.413 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.225 11.987 17.994 1.00 0.00 H new ATOM 464 N ASN A 29 4.884 3.673 19.393 1.00 0.00 N ATOM 465 CA ASN A 29 5.030 2.383 20.055 1.00 0.00 C ATOM 466 C ASN A 29 6.255 1.641 19.530 1.00 0.00 C ATOM 467 O ASN A 29 7.356 1.788 20.060 1.00 0.00 O ATOM 468 CB ASN A 29 3.779 1.532 19.826 1.00 0.00 C ATOM 469 CG ASN A 29 3.251 1.752 18.412 1.00 0.00 C ATOM 470 OD1 ASN A 29 2.899 2.952 18.035 1.00 0.00 O flip ATOM 471 ND2 ASN A 29 3.157 0.807 17.629 1.00 0.00 N flip ATOM 0 H ASN A 29 5.045 3.656 18.386 1.00 0.00 H new ATOM 0 HA ASN A 29 5.159 2.560 21.123 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.013 0.478 19.976 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.012 1.795 20.555 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.432 -0.130 17.925 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.804 0.960 16.684 1.00 0.00 H new ATOM 478 N LEU A 30 6.054 0.840 18.488 1.00 0.00 N ATOM 479 CA LEU A 30 7.149 0.075 17.903 1.00 0.00 C ATOM 480 C LEU A 30 6.997 -0.007 16.388 1.00 0.00 C ATOM 481 O LEU A 30 7.800 0.553 15.641 1.00 0.00 O ATOM 482 CB LEU A 30 7.171 -1.336 18.495 1.00 0.00 C ATOM 483 CG LEU A 30 8.578 -1.665 19.000 1.00 0.00 C ATOM 484 CD1 LEU A 30 8.527 -2.916 19.882 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.504 -1.919 17.807 1.00 0.00 C ATOM 0 H LEU A 30 5.150 0.705 18.035 1.00 0.00 H new ATOM 0 HA LEU A 30 8.087 0.581 18.133 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.455 -1.408 19.314 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.867 -2.062 17.741 1.00 0.00 H new ATOM 0 HG LEU A 30 8.958 -0.826 19.583 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.529 -3.149 20.241 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.870 -2.735 20.733 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.145 -3.756 19.301 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.506 -2.153 18.167 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.123 -2.757 17.223 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.543 -1.028 17.180 1.00 0.00 H new ATOM 497 N LYS A 31 5.964 -0.712 15.940 1.00 0.00 N ATOM 498 CA LYS A 31 5.717 -0.865 14.511 1.00 0.00 C ATOM 499 C LYS A 31 4.867 0.287 13.984 1.00 0.00 C ATOM 500 O LYS A 31 3.640 0.195 13.935 1.00 0.00 O ATOM 501 CB LYS A 31 5.005 -2.192 14.242 1.00 0.00 C ATOM 502 CG LYS A 31 5.754 -3.325 14.946 1.00 0.00 C ATOM 503 CD LYS A 31 4.999 -4.639 14.744 1.00 0.00 C ATOM 504 CE LYS A 31 5.969 -5.813 14.894 1.00 0.00 C ATOM 505 NZ LYS A 31 5.266 -7.084 14.560 1.00 0.00 N ATOM 0 H LYS A 31 5.288 -1.184 16.541 1.00 0.00 H new ATOM 0 HA LYS A 31 6.677 -0.857 13.995 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.977 -2.144 14.600 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.961 -2.382 13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.765 -3.409 14.548 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.848 -3.107 16.010 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.193 -4.724 15.473 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.538 -4.658 13.756 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.827 -5.676 14.236 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.352 -5.854 15.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.925 -7.882 14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.461 -7.215 15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.921 -7.043 13.580 1.00 0.00 H new ATOM 519 N LEU A 32 5.528 1.370 13.590 1.00 0.00 N ATOM 520 CA LEU A 32 4.824 2.535 13.065 1.00 0.00 C ATOM 521 C LEU A 32 4.688 2.437 11.550 1.00 0.00 C ATOM 522 O LEU A 32 4.753 3.445 10.846 1.00 0.00 O ATOM 523 CB LEU A 32 5.584 3.813 13.427 1.00 0.00 C ATOM 524 CG LEU A 32 5.409 4.108 14.917 1.00 0.00 C ATOM 525 CD1 LEU A 32 6.622 4.885 15.428 1.00 0.00 C ATOM 526 CD2 LEU A 32 4.143 4.942 15.124 1.00 0.00 C ATOM 0 H LEU A 32 6.543 1.466 13.623 1.00 0.00 H new ATOM 0 HA LEU A 32 3.829 2.566 13.509 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.642 3.699 13.190 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.213 4.649 12.834 1.00 0.00 H new ATOM 0 HG LEU A 32 5.321 3.171 15.467 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.498 5.096 16.490 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.524 4.291 15.279 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.710 5.823 14.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.016 5.154 16.186 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.231 5.880 14.575 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.278 4.388 14.759 1.00 0.00 H new ATOM 538 N ILE A 33 4.502 1.219 11.055 1.00 0.00 N ATOM 539 CA ILE A 33 4.360 1.002 9.620 1.00 0.00 C ATOM 540 C ILE A 33 3.060 0.266 9.316 1.00 0.00 C ATOM 541 O ILE A 33 2.772 -0.775 9.908 1.00 0.00 O ATOM 542 CB ILE A 33 5.543 0.186 9.097 1.00 0.00 C ATOM 543 CG1 ILE A 33 6.749 1.109 8.878 1.00 0.00 C ATOM 544 CG2 ILE A 33 5.159 -0.479 7.774 1.00 0.00 C ATOM 545 CD1 ILE A 33 6.402 2.187 7.849 1.00 0.00 C ATOM 0 H ILE A 33 4.446 0.372 11.621 1.00 0.00 H new ATOM 0 HA ILE A 33 4.340 1.973 9.125 1.00 0.00 H new ATOM 0 HB ILE A 33 5.804 -0.581 9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.038 1.574 9.821 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.605 0.528 8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.002 -1.061 7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.305 -1.138 7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.896 0.287 7.045 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.263 2.838 7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.135 1.715 6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.560 2.777 8.210 1.00 0.00 H new ATOM 557 N LEU A 34 2.278 0.810 8.389 1.00 0.00 N ATOM 558 CA LEU A 34 1.011 0.193 8.015 1.00 0.00 C ATOM 559 C LEU A 34 0.873 0.130 6.500 1.00 0.00 C ATOM 560 O LEU A 34 0.075 0.857 5.907 1.00 0.00 O ATOM 561 CB LEU A 34 -0.153 0.991 8.604 1.00 0.00 C ATOM 562 CG LEU A 34 -0.239 0.735 10.110 1.00 0.00 C ATOM 563 CD1 LEU A 34 -0.248 2.070 10.855 1.00 0.00 C ATOM 564 CD2 LEU A 34 -1.525 -0.033 10.423 1.00 0.00 C ATOM 0 H LEU A 34 2.497 1.670 7.887 1.00 0.00 H new ATOM 0 HA LEU A 34 0.992 -0.822 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.012 2.055 8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.087 0.702 8.122 1.00 0.00 H new ATOM 0 HG LEU A 34 0.622 0.148 10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.309 1.888 11.928 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.668 2.617 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.109 2.658 10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.588 -0.216 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.386 0.554 10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.519 -0.985 9.892 1.00 0.00 H new ATOM 576 N GLN A 35 1.658 -0.743 5.881 1.00 0.00 N ATOM 577 CA GLN A 35 1.622 -0.898 4.437 1.00 0.00 C ATOM 578 C GLN A 35 0.754 -2.091 4.050 1.00 0.00 C ATOM 579 O GLN A 35 0.752 -3.118 4.728 1.00 0.00 O ATOM 580 CB GLN A 35 3.040 -1.105 3.913 1.00 0.00 C ATOM 581 CG GLN A 35 3.252 -0.249 2.667 1.00 0.00 C ATOM 582 CD GLN A 35 3.335 1.223 3.053 1.00 0.00 C ATOM 583 OE1 GLN A 35 3.244 2.098 2.192 1.00 0.00 O ATOM 584 NE2 GLN A 35 3.505 1.551 4.305 1.00 0.00 N ATOM 0 H GLN A 35 2.324 -1.351 6.357 1.00 0.00 H new ATOM 0 HA GLN A 35 1.194 0.003 3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.766 -0.835 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.202 -2.157 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.167 -0.552 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.432 -0.404 1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.580 0.824 5.017 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.563 2.534 4.571 1.00 0.00 H new ATOM 593 N GLY A 36 0.018 -1.945 2.955 1.00 0.00 N ATOM 594 CA GLY A 36 -0.852 -3.014 2.481 1.00 0.00 C ATOM 595 C GLY A 36 -1.482 -2.645 1.143 1.00 0.00 C ATOM 596 O GLY A 36 -1.479 -1.480 0.746 1.00 0.00 O ATOM 0 H GLY A 36 0.006 -1.102 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.280 -3.936 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.634 -3.206 3.216 1.00 0.00 H new ATOM 600 N CYS A 37 -2.018 -3.642 0.449 1.00 0.00 N ATOM 601 CA CYS A 37 -2.646 -3.404 -0.845 1.00 0.00 C ATOM 602 C CYS A 37 -4.156 -3.254 -0.693 1.00 0.00 C ATOM 603 O CYS A 37 -4.715 -3.532 0.368 1.00 0.00 O ATOM 604 CB CYS A 37 -2.341 -4.564 -1.795 1.00 0.00 C ATOM 605 SG CYS A 37 -0.835 -5.408 -1.256 1.00 0.00 S ATOM 0 H CYS A 37 -2.031 -4.614 0.757 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.241 -2.479 -1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.177 -5.264 -1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.217 -4.192 -2.812 1.00 0.00 H new ATOM 610 N SER A 38 -4.808 -2.811 -1.762 1.00 0.00 N ATOM 611 CA SER A 38 -6.254 -2.625 -1.741 1.00 0.00 C ATOM 612 C SER A 38 -6.782 -2.382 -3.152 1.00 0.00 C ATOM 613 O SER A 38 -6.029 -2.006 -4.050 1.00 0.00 O ATOM 614 CB SER A 38 -6.615 -1.441 -0.846 1.00 0.00 C ATOM 615 OG SER A 38 -8.004 -1.485 -0.545 1.00 0.00 O ATOM 0 H SER A 38 -4.362 -2.575 -2.648 1.00 0.00 H new ATOM 0 HA SER A 38 -6.713 -3.531 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.031 -1.474 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.369 -0.504 -1.346 1.00 0.00 H new ATOM 0 HG SER A 38 -8.238 -0.727 0.031 1.00 0.00 H new ATOM 621 N SER A 39 -8.078 -2.601 -3.339 1.00 0.00 N ATOM 622 CA SER A 39 -8.694 -2.403 -4.645 1.00 0.00 C ATOM 623 C SER A 39 -9.339 -1.024 -4.731 1.00 0.00 C ATOM 624 O SER A 39 -9.571 -0.505 -5.823 1.00 0.00 O ATOM 625 CB SER A 39 -9.753 -3.479 -4.890 1.00 0.00 C ATOM 626 OG SER A 39 -10.503 -3.144 -6.049 1.00 0.00 O ATOM 0 H SER A 39 -8.718 -2.913 -2.609 1.00 0.00 H new ATOM 0 HA SER A 39 -7.918 -2.476 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.277 -4.451 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.413 -3.559 -4.026 1.00 0.00 H new ATOM 0 HG SER A 39 -11.182 -3.832 -6.210 1.00 0.00 H new ATOM 632 N SER A 40 -9.629 -0.437 -3.575 1.00 0.00 N ATOM 633 CA SER A 40 -10.250 0.883 -3.534 1.00 0.00 C ATOM 634 C SER A 40 -9.570 1.768 -2.494 1.00 0.00 C ATOM 635 O SER A 40 -10.224 2.567 -1.822 1.00 0.00 O ATOM 636 CB SER A 40 -11.735 0.748 -3.197 1.00 0.00 C ATOM 637 OG SER A 40 -12.458 1.795 -3.830 1.00 0.00 O ATOM 0 H SER A 40 -9.446 -0.850 -2.660 1.00 0.00 H new ATOM 0 HA SER A 40 -10.138 1.346 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.109 -0.220 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.880 0.791 -2.118 1.00 0.00 H new ATOM 0 HG SER A 40 -13.411 1.710 -3.617 1.00 0.00 H new ATOM 643 N CYS A 41 -8.256 1.623 -2.366 1.00 0.00 N ATOM 644 CA CYS A 41 -7.501 2.418 -1.402 1.00 0.00 C ATOM 645 C CYS A 41 -8.067 3.833 -1.311 1.00 0.00 C ATOM 646 O CYS A 41 -8.263 4.501 -2.327 1.00 0.00 O ATOM 647 CB CYS A 41 -6.030 2.481 -1.815 1.00 0.00 C ATOM 648 SG CYS A 41 -5.143 3.602 -0.705 1.00 0.00 S ATOM 0 H CYS A 41 -7.695 0.969 -2.912 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.584 1.943 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.587 1.486 -1.776 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.944 2.828 -2.845 1.00 0.00 H new ATOM 653 N SER A 42 -8.330 4.282 -0.087 1.00 0.00 N ATOM 654 CA SER A 42 -8.875 5.617 0.128 1.00 0.00 C ATOM 655 C SER A 42 -7.754 6.648 0.224 1.00 0.00 C ATOM 656 O SER A 42 -7.294 6.980 1.317 1.00 0.00 O ATOM 657 CB SER A 42 -9.698 5.637 1.415 1.00 0.00 C ATOM 658 OG SER A 42 -9.078 4.802 2.383 1.00 0.00 O ATOM 0 H SER A 42 -8.175 3.744 0.766 1.00 0.00 H new ATOM 0 HA SER A 42 -9.512 5.871 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.777 6.656 1.794 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.713 5.292 1.217 1.00 0.00 H new ATOM 0 HG SER A 42 -8.155 5.098 2.527 1.00 0.00 H new ATOM 664 N GLU A 43 -7.319 7.149 -0.927 1.00 0.00 N ATOM 665 CA GLU A 43 -6.251 8.142 -0.964 1.00 0.00 C ATOM 666 C GLU A 43 -6.582 9.326 -0.061 1.00 0.00 C ATOM 667 O GLU A 43 -7.639 9.943 -0.192 1.00 0.00 O ATOM 668 CB GLU A 43 -6.044 8.632 -2.398 1.00 0.00 C ATOM 669 CG GLU A 43 -4.856 9.593 -2.444 1.00 0.00 C ATOM 670 CD GLU A 43 -4.925 10.446 -3.706 1.00 0.00 C ATOM 671 OE1 GLU A 43 -4.753 9.893 -4.780 1.00 0.00 O ATOM 672 OE2 GLU A 43 -5.147 11.638 -3.580 1.00 0.00 O ATOM 0 H GLU A 43 -7.686 6.886 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.335 7.674 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.866 7.785 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.944 9.132 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.861 10.233 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.922 9.031 -2.425 1.00 0.00 H new ATOM 679 N THR A 44 -5.669 9.636 0.854 1.00 0.00 N ATOM 680 CA THR A 44 -5.870 10.748 1.776 1.00 0.00 C ATOM 681 C THR A 44 -4.534 11.226 2.333 1.00 0.00 C ATOM 682 O THR A 44 -3.476 10.731 1.942 1.00 0.00 O ATOM 683 CB THR A 44 -6.779 10.312 2.928 1.00 0.00 C ATOM 684 OG1 THR A 44 -6.513 8.953 3.246 1.00 0.00 O ATOM 685 CG2 THR A 44 -8.244 10.464 2.515 1.00 0.00 C ATOM 0 H THR A 44 -4.788 9.136 0.977 1.00 0.00 H new ATOM 0 HA THR A 44 -6.340 11.568 1.233 1.00 0.00 H new ATOM 0 HB THR A 44 -6.586 10.937 3.800 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.625 8.707 2.913 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.888 10.153 3.337 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.447 11.507 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.443 9.841 1.643 1.00 0.00 H new ATOM 693 N GLU A 45 -4.586 12.189 3.248 1.00 0.00 N ATOM 694 CA GLU A 45 -3.369 12.722 3.850 1.00 0.00 C ATOM 695 C GLU A 45 -2.737 11.686 4.774 1.00 0.00 C ATOM 696 O GLU A 45 -1.514 11.591 4.872 1.00 0.00 O ATOM 697 CB GLU A 45 -3.687 13.994 4.641 1.00 0.00 C ATOM 698 CG GLU A 45 -3.015 15.195 3.971 1.00 0.00 C ATOM 699 CD GLU A 45 -3.191 16.439 4.834 1.00 0.00 C ATOM 700 OE1 GLU A 45 -3.604 16.294 5.972 1.00 0.00 O ATOM 701 OE2 GLU A 45 -2.911 17.521 4.343 1.00 0.00 O ATOM 0 H GLU A 45 -5.450 12.613 3.586 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.665 12.962 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.765 14.146 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.336 13.894 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.954 14.993 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.449 15.362 2.985 1.00 0.00 H new ATOM 708 N ASN A 46 -3.580 10.907 5.443 1.00 0.00 N ATOM 709 CA ASN A 46 -3.095 9.875 6.351 1.00 0.00 C ATOM 710 C ASN A 46 -2.834 8.586 5.581 1.00 0.00 C ATOM 711 O ASN A 46 -1.794 7.949 5.747 1.00 0.00 O ATOM 712 CB ASN A 46 -4.126 9.618 7.449 1.00 0.00 C ATOM 713 CG ASN A 46 -3.431 9.491 8.800 1.00 0.00 C ATOM 714 OD1 ASN A 46 -2.209 9.353 8.860 1.00 0.00 O ATOM 715 ND2 ASN A 46 -4.140 9.528 9.895 1.00 0.00 N ATOM 0 H ASN A 46 -4.596 10.970 5.374 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.165 10.215 6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.849 10.433 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.682 8.707 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.682 9.443 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.152 9.642 9.844 1.00 0.00 H new ATOM 722 N ASN A 47 -3.788 8.213 4.735 1.00 0.00 N ATOM 723 CA ASN A 47 -3.662 7.005 3.938 1.00 0.00 C ATOM 724 C ASN A 47 -3.616 7.354 2.453 1.00 0.00 C ATOM 725 O ASN A 47 -4.576 7.893 1.902 1.00 0.00 O ATOM 726 CB ASN A 47 -4.845 6.080 4.217 1.00 0.00 C ATOM 727 CG ASN A 47 -4.545 5.193 5.421 1.00 0.00 C ATOM 728 OD1 ASN A 47 -4.053 5.726 6.507 1.00 0.00 O flip ATOM 729 ND2 ASN A 47 -4.763 3.983 5.372 1.00 0.00 N flip ATOM 0 H ASN A 47 -4.654 8.731 4.586 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.735 6.498 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.742 6.670 4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.048 5.462 3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.147 3.568 4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.559 3.395 6.180 1.00 0.00 H new ATOM 736 N LYS A 48 -2.489 7.052 1.814 1.00 0.00 N ATOM 737 CA LYS A 48 -2.325 7.350 0.392 1.00 0.00 C ATOM 738 C LYS A 48 -2.619 6.121 -0.465 1.00 0.00 C ATOM 739 O LYS A 48 -2.997 5.068 0.048 1.00 0.00 O ATOM 740 CB LYS A 48 -0.896 7.828 0.125 1.00 0.00 C ATOM 741 CG LYS A 48 -0.607 9.073 0.967 1.00 0.00 C ATOM 742 CD LYS A 48 0.814 8.992 1.527 1.00 0.00 C ATOM 743 CE LYS A 48 1.821 9.034 0.377 1.00 0.00 C ATOM 744 NZ LYS A 48 2.161 7.643 -0.038 1.00 0.00 N ATOM 0 H LYS A 48 -1.683 6.606 2.252 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.033 8.134 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.186 7.038 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.769 8.055 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.719 9.970 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.327 9.149 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.994 9.821 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.938 8.073 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.403 9.584 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.722 9.563 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.193 7.551 -0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.816 6.973 0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.712 7.434 -0.952 1.00 0.00 H new ATOM 758 N CYS A 49 -2.443 6.270 -1.777 1.00 0.00 N ATOM 759 CA CYS A 49 -2.691 5.172 -2.708 1.00 0.00 C ATOM 760 C CYS A 49 -1.831 5.324 -3.960 1.00 0.00 C ATOM 761 O CYS A 49 -1.788 6.393 -4.568 1.00 0.00 O ATOM 762 CB CYS A 49 -4.167 5.151 -3.112 1.00 0.00 C ATOM 763 SG CYS A 49 -5.201 5.387 -1.647 1.00 0.00 S ATOM 0 H CYS A 49 -2.131 7.136 -2.217 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.433 4.238 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.366 5.937 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.410 4.203 -3.592 1.00 0.00 H new ATOM 768 N CYS A 50 -1.151 4.247 -4.340 1.00 0.00 N ATOM 769 CA CYS A 50 -0.300 4.273 -5.524 1.00 0.00 C ATOM 770 C CYS A 50 -0.378 2.945 -6.271 1.00 0.00 C ATOM 771 O CYS A 50 -0.654 1.903 -5.676 1.00 0.00 O ATOM 772 CB CYS A 50 1.149 4.550 -5.121 1.00 0.00 C ATOM 773 SG CYS A 50 1.537 3.642 -3.605 1.00 0.00 S ATOM 0 H CYS A 50 -1.172 3.353 -3.850 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.652 5.068 -6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.824 4.248 -5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.297 5.619 -4.965 1.00 0.00 H new ATOM 778 N SER A 51 -0.131 2.990 -7.575 1.00 0.00 N ATOM 779 CA SER A 51 -0.177 1.783 -8.394 1.00 0.00 C ATOM 780 C SER A 51 0.959 1.781 -9.412 1.00 0.00 C ATOM 781 O SER A 51 0.763 1.422 -10.573 1.00 0.00 O ATOM 782 CB SER A 51 -1.517 1.698 -9.122 1.00 0.00 C ATOM 783 OG SER A 51 -1.388 0.834 -10.244 1.00 0.00 O ATOM 0 H SER A 51 0.102 3.842 -8.086 1.00 0.00 H new ATOM 0 HA SER A 51 -0.064 0.919 -7.740 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.287 1.324 -8.447 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.831 2.690 -9.447 1.00 0.00 H new ATOM 0 HG SER A 51 -0.848 1.272 -10.934 1.00 0.00 H new ATOM 789 N THR A 52 2.145 2.185 -8.970 1.00 0.00 N ATOM 790 CA THR A 52 3.305 2.226 -9.852 1.00 0.00 C ATOM 791 C THR A 52 4.334 1.182 -9.433 1.00 0.00 C ATOM 792 O THR A 52 5.523 1.318 -9.721 1.00 0.00 O ATOM 793 CB THR A 52 3.940 3.616 -9.813 1.00 0.00 C ATOM 794 OG1 THR A 52 2.958 4.574 -9.443 1.00 0.00 O ATOM 795 CG2 THR A 52 4.501 3.961 -11.193 1.00 0.00 C ATOM 0 H THR A 52 2.328 2.487 -8.013 1.00 0.00 H new ATOM 0 HA THR A 52 2.975 2.006 -10.867 1.00 0.00 H new ATOM 0 HB THR A 52 4.749 3.626 -9.083 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.364 5.465 -9.416 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.954 4.952 -11.164 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.255 3.226 -11.473 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.695 3.951 -11.926 1.00 0.00 H new ATOM 803 N ASP A 53 3.869 0.141 -8.753 1.00 0.00 N ATOM 804 CA ASP A 53 4.757 -0.923 -8.297 1.00 0.00 C ATOM 805 C ASP A 53 5.913 -0.346 -7.485 1.00 0.00 C ATOM 806 O ASP A 53 6.615 0.558 -7.940 1.00 0.00 O ATOM 807 CB ASP A 53 5.309 -1.694 -9.499 1.00 0.00 C ATOM 808 CG ASP A 53 4.264 -1.750 -10.608 1.00 0.00 C ATOM 809 OD1 ASP A 53 3.178 -2.240 -10.346 1.00 0.00 O ATOM 810 OD2 ASP A 53 4.565 -1.303 -11.702 1.00 0.00 O ATOM 0 H ASP A 53 2.888 0.010 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 53 4.185 -1.600 -7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.215 -1.212 -9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.586 -2.704 -9.197 1.00 0.00 H new ATOM 815 N ARG A 54 6.105 -0.875 -6.282 1.00 0.00 N ATOM 816 CA ARG A 54 7.180 -0.407 -5.412 1.00 0.00 C ATOM 817 C ARG A 54 7.026 1.082 -5.124 1.00 0.00 C ATOM 818 O ARG A 54 8.010 1.786 -4.896 1.00 0.00 O ATOM 819 CB ARG A 54 8.535 -0.667 -6.071 1.00 0.00 C ATOM 820 CG ARG A 54 8.861 -2.159 -5.993 1.00 0.00 C ATOM 821 CD ARG A 54 10.180 -2.432 -6.714 1.00 0.00 C ATOM 822 NE ARG A 54 11.263 -2.568 -5.748 1.00 0.00 N ATOM 823 CZ ARG A 54 12.365 -3.251 -6.041 1.00 0.00 C ATOM 824 NH1 ARG A 54 12.492 -3.813 -7.212 1.00 0.00 N ATOM 825 NH2 ARG A 54 13.319 -3.359 -5.159 1.00 0.00 N ATOM 0 H ARG A 54 5.535 -1.623 -5.888 1.00 0.00 H new ATOM 0 HA ARG A 54 7.125 -0.953 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.514 -0.342 -7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.312 -0.087 -5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.932 -2.472 -4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.059 -2.741 -6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.096 -3.342 -7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.400 -1.619 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 54 11.174 -2.131 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.746 -3.728 -7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.338 -4.337 -7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.220 -2.919 -4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.165 -3.883 -5.384 1.00 0.00 H new ATOM 839 N CYS A 55 5.784 1.555 -5.133 1.00 0.00 N ATOM 840 CA CYS A 55 5.509 2.962 -4.869 1.00 0.00 C ATOM 841 C CYS A 55 5.748 3.289 -3.398 1.00 0.00 C ATOM 842 O CYS A 55 6.260 4.358 -3.064 1.00 0.00 O ATOM 843 CB CYS A 55 4.059 3.282 -5.232 1.00 0.00 C ATOM 844 SG CYS A 55 2.950 2.317 -4.177 1.00 0.00 S ATOM 0 H CYS A 55 4.957 0.988 -5.319 1.00 0.00 H new ATOM 0 HA CYS A 55 6.182 3.566 -5.478 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.867 4.347 -5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.875 3.050 -6.281 1.00 0.00 H new ATOM 849 N ASN A 56 5.371 2.361 -2.523 1.00 0.00 N ATOM 850 CA ASN A 56 5.545 2.561 -1.089 1.00 0.00 C ATOM 851 C ASN A 56 6.905 2.039 -0.635 1.00 0.00 C ATOM 852 O ASN A 56 6.997 0.983 -0.011 1.00 0.00 O ATOM 853 CB ASN A 56 4.438 1.834 -0.325 1.00 0.00 C ATOM 854 CG ASN A 56 3.956 0.630 -1.126 1.00 0.00 C ATOM 855 OD1 ASN A 56 2.752 0.411 -1.258 1.00 0.00 O ATOM 856 ND2 ASN A 56 4.830 -0.169 -1.675 1.00 0.00 N ATOM 0 H ASN A 56 4.946 1.470 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 56 5.491 3.630 -0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.809 1.510 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.607 2.514 -0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.515 -0.976 -2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.828 0.013 -1.565 1.00 0.00 H new ATOM 863 N LYS A 57 7.958 2.787 -0.951 1.00 0.00 N ATOM 864 CA LYS A 57 9.307 2.387 -0.568 1.00 0.00 C ATOM 865 C LYS A 57 9.903 3.386 0.419 1.00 0.00 C ATOM 866 O LYS A 57 10.818 3.011 1.131 1.00 0.00 O ATOM 867 CB LYS A 57 10.199 2.299 -1.807 1.00 0.00 C ATOM 868 CG LYS A 57 10.345 3.688 -2.435 1.00 0.00 C ATOM 869 CD LYS A 57 10.936 3.552 -3.840 1.00 0.00 C ATOM 870 CE LYS A 57 11.516 4.897 -4.284 1.00 0.00 C ATOM 871 NZ LYS A 57 10.734 6.004 -3.665 1.00 0.00 N ATOM 872 OXT LYS A 57 9.432 4.512 0.450 1.00 0.00 O ATOM 0 H LYS A 57 7.904 3.665 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 57 9.252 1.409 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.179 1.907 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.768 1.606 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.374 4.181 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.989 4.313 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.714 2.789 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.166 3.227 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.563 4.968 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.484 4.978 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.900 6.884 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.721 5.770 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.035 6.132 -2.678 1.00 0.00 H new TER 886 LYS A 57