USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 29 GLN : amide:sc= 0.358 K(o=0.74,f=-1.1) USER MOD Set 1.2: A 30 THR OG1 : rot -66:sc= 0.382 USER MOD Single : A 1 ASP N :NH3+ -174:sc= -7.02! (180deg=-7.46!) USER MOD Single : A 8 TYR OH : rot -56:sc= 0.879 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0998 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.124 F(o=-1.6!,f=-0.12) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.027 (180deg=-0.274) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.07! C(o=-3.1!,f=-5.1!) USER MOD Single : A 42 ASN : amide:sc= -0.658 K(o=-0.66,f=-1.3) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -67:sc= 1.21 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 150:sc= -0.963! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.723 8.244 3.489 1.00 0.00 N ATOM 2 CA ASP A 1 -2.570 7.329 3.673 1.00 0.00 C ATOM 3 C ASP A 1 -3.025 5.895 3.645 1.00 0.00 C ATOM 4 O ASP A 1 -2.341 5.018 3.110 1.00 0.00 O ATOM 5 CB ASP A 1 -1.871 7.648 5.007 1.00 0.00 C ATOM 6 CG ASP A 1 -1.236 9.036 5.054 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.324 9.780 4.050 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.647 9.377 6.101 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.380 9.223 3.409 1.00 0.00 H new ATOM 0 H2 ASP A 1 -4.237 7.985 2.623 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.362 8.167 4.306 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.864 7.475 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.597 7.563 5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.100 6.900 5.190 1.00 0.00 H new ATOM 15 N PHE A 2 -4.174 5.675 4.256 1.00 0.00 N ATOM 16 CA PHE A 2 -4.764 4.378 4.364 1.00 0.00 C ATOM 17 C PHE A 2 -6.201 4.376 3.888 1.00 0.00 C ATOM 18 O PHE A 2 -6.776 3.308 3.657 1.00 0.00 O ATOM 19 CB PHE A 2 -4.728 3.982 5.818 1.00 0.00 C ATOM 20 CG PHE A 2 -3.399 3.609 6.384 1.00 0.00 C ATOM 21 CD1 PHE A 2 -2.360 4.521 6.471 1.00 0.00 C ATOM 22 CD2 PHE A 2 -3.213 2.331 6.856 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.152 4.152 7.017 1.00 0.00 C ATOM 24 CE2 PHE A 2 -2.021 1.950 7.403 1.00 0.00 C ATOM 25 CZ PHE A 2 -0.979 2.861 7.487 1.00 0.00 C ATOM 0 H PHE A 2 -4.724 6.414 4.695 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.207 3.679 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.126 4.810 6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.404 3.139 5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.499 5.529 6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.022 1.618 6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.343 4.865 7.079 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -1.890 0.942 7.769 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.034 2.564 7.918 1.00 0.00 H new ATOM 35 N CYS A 3 -6.804 5.570 3.796 1.00 0.00 N ATOM 36 CA CYS A 3 -8.201 5.666 3.412 1.00 0.00 C ATOM 37 C CYS A 3 -8.525 6.815 2.453 1.00 0.00 C ATOM 38 O CYS A 3 -9.524 6.729 1.738 1.00 0.00 O ATOM 39 CB CYS A 3 -9.054 5.811 4.661 1.00 0.00 C ATOM 40 SG CYS A 3 -8.513 4.801 6.070 1.00 0.00 S ATOM 0 H CYS A 3 -6.347 6.463 3.981 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.424 4.747 2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -9.058 6.858 4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.082 5.546 4.415 1.00 0.00 H new ATOM 45 N LEU A 4 -7.723 7.897 2.434 1.00 0.00 N ATOM 46 CA LEU A 4 -8.016 9.031 1.545 1.00 0.00 C ATOM 47 C LEU A 4 -6.764 9.776 1.129 1.00 0.00 C ATOM 48 O LEU A 4 -6.537 10.020 -0.060 1.00 0.00 O ATOM 49 CB LEU A 4 -9.005 10.014 2.198 1.00 0.00 C ATOM 50 CG LEU A 4 -8.876 10.170 3.715 1.00 0.00 C ATOM 51 CD1 LEU A 4 -9.113 11.615 4.128 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.878 9.252 4.396 1.00 0.00 C ATOM 0 H LEU A 4 -6.888 8.007 3.010 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.471 8.605 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.874 10.993 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.019 9.687 1.969 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.866 9.896 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.017 11.705 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.377 12.257 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.115 11.920 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.792 9.358 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.887 9.520 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.674 8.219 4.115 1.00 0.00 H new ATOM 64 N GLU A 5 -5.969 10.138 2.128 1.00 0.00 N ATOM 65 CA GLU A 5 -4.724 10.866 1.949 1.00 0.00 C ATOM 66 C GLU A 5 -3.763 10.128 0.990 1.00 0.00 C ATOM 67 O GLU A 5 -3.906 8.916 0.805 1.00 0.00 O ATOM 68 CB GLU A 5 -4.102 11.063 3.321 1.00 0.00 C ATOM 69 CG GLU A 5 -4.647 12.265 4.080 1.00 0.00 C ATOM 70 CD GLU A 5 -4.009 12.440 5.446 1.00 0.00 C ATOM 71 OE1 GLU A 5 -4.167 11.538 6.299 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.351 13.478 5.664 1.00 0.00 O ATOM 0 H GLU A 5 -6.178 9.928 3.104 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.923 11.833 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.267 10.165 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.024 11.176 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.482 13.166 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.725 12.155 4.199 1.00 0.00 H new ATOM 79 N PRO A 6 -2.797 10.846 0.337 1.00 0.00 N ATOM 80 CA PRO A 6 -1.851 10.242 -0.638 1.00 0.00 C ATOM 81 C PRO A 6 -1.084 9.001 -0.119 1.00 0.00 C ATOM 82 O PRO A 6 -0.145 9.133 0.675 1.00 0.00 O ATOM 83 CB PRO A 6 -0.881 11.389 -0.947 1.00 0.00 C ATOM 84 CG PRO A 6 -1.671 12.623 -0.702 1.00 0.00 C ATOM 85 CD PRO A 6 -2.569 12.309 0.459 1.00 0.00 C ATOM 0 HA PRO A 6 -2.390 9.855 -1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.001 11.348 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.527 11.343 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.019 13.466 -0.475 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.252 12.897 -1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.100 12.564 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.504 12.867 0.405 1.00 0.00 H new ATOM 93 N PRO A 7 -1.481 7.761 -0.567 1.00 0.00 N ATOM 94 CA PRO A 7 -0.824 6.505 -0.148 1.00 0.00 C ATOM 95 C PRO A 7 0.673 6.469 -0.468 1.00 0.00 C ATOM 96 O PRO A 7 1.123 7.103 -1.427 1.00 0.00 O ATOM 97 CB PRO A 7 -1.548 5.411 -0.938 1.00 0.00 C ATOM 98 CG PRO A 7 -2.345 6.096 -1.987 1.00 0.00 C ATOM 99 CD PRO A 7 -2.600 7.493 -1.499 1.00 0.00 C ATOM 0 HA PRO A 7 -0.889 6.385 0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.834 4.720 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.193 4.824 -0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.806 6.110 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.284 5.571 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.612 8.207 -2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.564 7.570 -0.996 1.00 0.00 H new ATOM 107 N TYR A 8 1.434 5.712 0.342 1.00 0.00 N ATOM 108 CA TYR A 8 2.880 5.565 0.167 1.00 0.00 C ATOM 109 C TYR A 8 3.191 4.761 -1.119 1.00 0.00 C ATOM 110 O TYR A 8 2.265 4.343 -1.823 1.00 0.00 O ATOM 111 CB TYR A 8 3.461 4.872 1.422 1.00 0.00 C ATOM 112 CG TYR A 8 3.166 3.393 1.507 1.00 0.00 C ATOM 113 CD1 TYR A 8 1.863 2.923 1.634 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.193 2.470 1.435 1.00 0.00 C ATOM 115 CE1 TYR A 8 1.601 1.573 1.689 1.00 0.00 C ATOM 116 CE2 TYR A 8 3.935 1.122 1.486 1.00 0.00 C ATOM 117 CZ TYR A 8 2.637 0.678 1.612 1.00 0.00 C ATOM 118 OH TYR A 8 2.374 -0.671 1.637 1.00 0.00 O ATOM 0 H TYR A 8 1.060 5.188 1.133 1.00 0.00 H new ATOM 0 HA TYR A 8 3.345 6.544 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.541 5.017 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.063 5.362 2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.046 3.627 1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.212 2.814 1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.585 1.221 1.792 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.747 0.412 1.428 1.00 0.00 H new ATOM 0 HH TYR A 8 1.860 -0.889 2.442 1.00 0.00 H new ATOM 128 N THR A 9 4.480 4.538 -1.416 1.00 0.00 N ATOM 129 CA THR A 9 4.866 3.777 -2.613 1.00 0.00 C ATOM 130 C THR A 9 5.998 2.789 -2.313 1.00 0.00 C ATOM 131 O THR A 9 6.086 1.740 -2.957 1.00 0.00 O ATOM 132 CB THR A 9 5.266 4.719 -3.762 1.00 0.00 C ATOM 133 OG1 THR A 9 4.533 5.932 -3.703 1.00 0.00 O ATOM 134 CG2 THR A 9 5.014 4.124 -5.135 1.00 0.00 C ATOM 0 H THR A 9 5.263 4.869 -0.852 1.00 0.00 H new ATOM 0 HA THR A 9 3.994 3.202 -2.925 1.00 0.00 H new ATOM 0 HB THR A 9 6.335 4.888 -3.630 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.805 6.515 -4.442 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.317 4.837 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.591 3.206 -5.245 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.953 3.901 -5.246 1.00 0.00 H new ATOM 142 N GLY A 10 6.854 3.124 -1.342 1.00 0.00 N ATOM 143 CA GLY A 10 7.955 2.247 -0.986 1.00 0.00 C ATOM 144 C GLY A 10 9.296 2.964 -0.978 1.00 0.00 C ATOM 145 O GLY A 10 9.983 2.976 -2.003 1.00 0.00 O ATOM 0 H GLY A 10 6.801 3.986 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.770 1.820 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.996 1.417 -1.691 1.00 0.00 H new ATOM 149 N PRO A 11 9.710 3.579 0.170 1.00 0.00 N ATOM 150 CA PRO A 11 10.999 4.304 0.282 1.00 0.00 C ATOM 151 C PRO A 11 12.237 3.394 0.152 1.00 0.00 C ATOM 152 O PRO A 11 13.373 3.878 0.216 1.00 0.00 O ATOM 153 CB PRO A 11 10.944 4.924 1.688 1.00 0.00 C ATOM 154 CG PRO A 11 9.513 4.867 2.092 1.00 0.00 C ATOM 155 CD PRO A 11 8.964 3.633 1.446 1.00 0.00 C ATOM 0 HA PRO A 11 11.108 5.028 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.571 4.370 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.308 5.951 1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.413 4.820 3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.976 5.756 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.137 2.745 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.888 3.704 1.284 1.00 0.00 H new ATOM 163 N CYS A 12 12.007 2.086 -0.035 1.00 0.00 N ATOM 164 CA CYS A 12 13.089 1.111 -0.179 1.00 0.00 C ATOM 165 C CYS A 12 13.384 0.823 -1.658 1.00 0.00 C ATOM 166 O CYS A 12 14.545 0.851 -2.075 1.00 0.00 O ATOM 167 CB CYS A 12 12.738 -0.188 0.556 1.00 0.00 C ATOM 168 SG CYS A 12 12.389 0.023 2.335 1.00 0.00 S ATOM 0 H CYS A 12 11.073 1.680 -0.090 1.00 0.00 H new ATOM 0 HA CYS A 12 13.987 1.538 0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.868 -0.638 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.563 -0.891 0.441 1.00 0.00 H new ATOM 173 N ARG A 13 12.324 0.554 -2.444 1.00 0.00 N ATOM 174 CA ARG A 13 12.454 0.266 -3.878 1.00 0.00 C ATOM 175 C ARG A 13 11.255 0.813 -4.671 1.00 0.00 C ATOM 176 O ARG A 13 11.429 1.437 -5.721 1.00 0.00 O ATOM 177 CB ARG A 13 12.641 -1.255 -4.139 1.00 0.00 C ATOM 178 CG ARG A 13 11.497 -2.148 -3.646 1.00 0.00 C ATOM 179 CD ARG A 13 11.761 -3.620 -3.914 1.00 0.00 C ATOM 180 NE ARG A 13 10.631 -4.476 -3.510 1.00 0.00 N ATOM 181 CZ ARG A 13 10.684 -5.816 -3.448 1.00 0.00 C ATOM 182 NH1 ARG A 13 11.797 -6.475 -3.766 1.00 0.00 N ATOM 183 NH2 ARG A 13 9.617 -6.500 -3.064 1.00 0.00 N ATOM 0 H ARG A 13 11.363 0.531 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 13 13.350 0.777 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.766 -1.411 -5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.565 -1.578 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.354 -1.995 -2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.570 -1.852 -4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.960 -3.763 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.658 -3.929 -3.377 1.00 0.00 H new ATOM 0 HE ARG A 13 9.753 -4.021 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.627 -5.961 -4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.819 -7.493 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.758 -6.009 -2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.654 -7.518 -3.016 1.00 0.00 H new ATOM 197 N ALA A 14 10.036 0.551 -4.151 1.00 0.00 N ATOM 198 CA ALA A 14 8.754 0.972 -4.764 1.00 0.00 C ATOM 199 C ALA A 14 8.615 0.511 -6.218 1.00 0.00 C ATOM 200 O ALA A 14 9.225 1.084 -7.129 1.00 0.00 O ATOM 201 CB ALA A 14 8.541 2.478 -4.656 1.00 0.00 C ATOM 0 H ALA A 14 9.912 0.034 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 14 7.971 0.475 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.590 2.745 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.529 2.769 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.351 2.998 -5.168 1.00 0.00 H new ATOM 207 N ALA A 15 7.789 -0.528 -6.416 1.00 0.00 N ATOM 208 CA ALA A 15 7.520 -1.097 -7.751 1.00 0.00 C ATOM 209 C ALA A 15 6.426 -2.168 -7.720 1.00 0.00 C ATOM 210 O ALA A 15 6.227 -2.903 -8.697 1.00 0.00 O ATOM 211 CB ALA A 15 8.796 -1.655 -8.395 1.00 0.00 C ATOM 0 H ALA A 15 7.290 -0.997 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 15 7.156 -0.273 -8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.559 -2.065 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.529 -0.855 -8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.209 -2.441 -7.763 1.00 0.00 H new ATOM 217 N ILE A 16 5.717 -2.238 -6.602 1.00 0.00 N ATOM 218 CA ILE A 16 4.632 -3.204 -6.423 1.00 0.00 C ATOM 219 C ILE A 16 3.328 -2.442 -6.131 1.00 0.00 C ATOM 220 O ILE A 16 3.328 -1.500 -5.333 1.00 0.00 O ATOM 221 CB ILE A 16 4.973 -4.204 -5.277 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.402 -4.745 -5.440 1.00 0.00 C ATOM 223 CG2 ILE A 16 3.991 -5.375 -5.233 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.157 -4.864 -4.134 1.00 0.00 C ATOM 0 H ILE A 16 5.873 -1.633 -5.796 1.00 0.00 H new ATOM 0 HA ILE A 16 4.504 -3.788 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 16 4.894 -3.654 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.359 -5.725 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.956 -4.089 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.264 -6.048 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.982 -4.998 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.026 -5.915 -6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.157 -5.252 -4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.232 -3.882 -3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.626 -5.544 -3.467 1.00 0.00 H new ATOM 236 N ILE A 17 2.235 -2.830 -6.808 1.00 0.00 N ATOM 237 CA ILE A 17 0.934 -2.157 -6.648 1.00 0.00 C ATOM 238 C ILE A 17 -0.209 -3.168 -6.485 1.00 0.00 C ATOM 239 O ILE A 17 -0.129 -4.319 -6.923 1.00 0.00 O ATOM 240 CB ILE A 17 0.637 -1.231 -7.878 1.00 0.00 C ATOM 241 CG1 ILE A 17 1.687 -0.100 -8.016 1.00 0.00 C ATOM 242 CG2 ILE A 17 -0.779 -0.645 -7.866 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.598 0.991 -6.957 1.00 0.00 C ATOM 0 H ILE A 17 2.226 -3.605 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 17 0.993 -1.553 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 17 0.708 -1.879 -8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.683 -0.542 -7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.579 0.358 -8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.919 -0.014 -8.744 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.508 -1.455 -7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.918 -0.048 -6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.372 1.737 -7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.618 1.466 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.740 0.552 -5.969 1.00 0.00 H new ATOM 255 N ARG A 18 -1.283 -2.657 -5.879 1.00 0.00 N ATOM 256 CA ARG A 18 -2.537 -3.377 -5.635 1.00 0.00 C ATOM 257 C ARG A 18 -3.607 -2.370 -5.167 1.00 0.00 C ATOM 258 O ARG A 18 -3.672 -1.284 -5.730 1.00 0.00 O ATOM 259 CB ARG A 18 -2.390 -4.567 -4.659 1.00 0.00 C ATOM 260 CG ARG A 18 -3.363 -5.721 -4.916 1.00 0.00 C ATOM 261 CD ARG A 18 -2.976 -6.561 -6.136 1.00 0.00 C ATOM 262 NE ARG A 18 -1.725 -7.304 -5.932 1.00 0.00 N ATOM 263 CZ ARG A 18 -1.161 -8.115 -6.840 1.00 0.00 C ATOM 264 NH1 ARG A 18 -1.721 -8.307 -8.033 1.00 0.00 N ATOM 265 NH2 ARG A 18 -0.026 -8.736 -6.547 1.00 0.00 N ATOM 0 H ARG A 18 -1.305 -1.698 -5.532 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.850 -3.834 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.370 -4.947 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.535 -4.206 -3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.400 -6.362 -4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.366 -5.320 -5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.779 -7.263 -6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.871 -5.909 -7.003 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.251 -7.195 -5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.593 -7.834 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.278 -8.927 -8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.412 -8.595 -5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.409 -9.354 -7.232 1.00 0.00 H new ATOM 279 N TYR A 19 -4.456 -2.726 -4.178 1.00 0.00 N ATOM 280 CA TYR A 19 -5.552 -1.841 -3.741 1.00 0.00 C ATOM 281 C TYR A 19 -5.273 -0.975 -2.506 1.00 0.00 C ATOM 282 O TYR A 19 -4.819 -1.471 -1.472 1.00 0.00 O ATOM 283 CB TYR A 19 -6.799 -2.702 -3.464 1.00 0.00 C ATOM 284 CG TYR A 19 -7.474 -3.325 -4.688 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.823 -3.460 -5.917 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.779 -3.794 -4.595 1.00 0.00 C ATOM 287 CE1 TYR A 19 -7.453 -4.032 -7.005 1.00 0.00 C ATOM 288 CE2 TYR A 19 -9.415 -4.369 -5.680 1.00 0.00 C ATOM 289 CZ TYR A 19 -8.749 -4.484 -6.882 1.00 0.00 C ATOM 290 OH TYR A 19 -9.380 -5.056 -7.962 1.00 0.00 O ATOM 0 H TYR A 19 -4.403 -3.611 -3.673 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.689 -1.134 -4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.517 -3.505 -2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.533 -2.086 -2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.806 -3.110 -6.018 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.307 -3.708 -3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.933 -4.125 -7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.430 -4.727 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.288 -5.322 -7.707 1.00 0.00 H new ATOM 300 N PHE A 20 -5.646 0.320 -2.628 1.00 0.00 N ATOM 301 CA PHE A 20 -5.554 1.302 -1.536 1.00 0.00 C ATOM 302 C PHE A 20 -6.960 1.897 -1.335 1.00 0.00 C ATOM 303 O PHE A 20 -7.863 1.567 -2.094 1.00 0.00 O ATOM 304 CB PHE A 20 -4.443 2.357 -1.837 1.00 0.00 C ATOM 305 CG PHE A 20 -4.811 3.710 -2.386 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.432 4.665 -1.605 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.493 4.022 -3.681 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.744 5.905 -2.125 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.794 5.254 -4.211 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.425 6.197 -3.434 1.00 0.00 C ATOM 0 H PHE A 20 -6.020 0.709 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.246 0.841 -0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.895 2.523 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.747 1.901 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.676 4.439 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.997 3.287 -4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.236 6.643 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.536 5.481 -5.235 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.670 7.164 -3.848 1.00 0.00 H new ATOM 320 N TYR A 21 -7.165 2.746 -0.327 1.00 0.00 N ATOM 321 CA TYR A 21 -8.480 3.336 -0.114 1.00 0.00 C ATOM 322 C TYR A 21 -8.435 4.825 -0.505 1.00 0.00 C ATOM 323 O TYR A 21 -7.755 5.615 0.151 1.00 0.00 O ATOM 324 CB TYR A 21 -8.919 3.179 1.353 1.00 0.00 C ATOM 325 CG TYR A 21 -10.419 3.115 1.536 1.00 0.00 C ATOM 326 CD1 TYR A 21 -11.102 1.925 1.328 1.00 0.00 C ATOM 327 CD2 TYR A 21 -11.148 4.233 1.915 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.469 1.846 1.497 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.519 4.165 2.083 1.00 0.00 C ATOM 330 CZ TYR A 21 -13.173 2.968 1.873 1.00 0.00 C ATOM 331 OH TYR A 21 -14.536 2.890 2.049 1.00 0.00 O ATOM 0 H TYR A 21 -6.450 3.034 0.341 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.209 2.818 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.473 2.272 1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.527 4.015 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.553 1.044 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.637 5.170 2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.983 0.910 1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.075 5.043 2.377 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.882 3.767 2.315 1.00 0.00 H new ATOM 341 N ASN A 22 -9.137 5.201 -1.584 1.00 0.00 N ATOM 342 CA ASN A 22 -9.168 6.591 -2.051 1.00 0.00 C ATOM 343 C ASN A 22 -10.591 7.140 -1.847 1.00 0.00 C ATOM 344 O ASN A 22 -11.305 7.436 -2.812 1.00 0.00 O ATOM 345 CB ASN A 22 -8.730 6.679 -3.518 1.00 0.00 C ATOM 346 CG ASN A 22 -8.389 8.095 -3.957 1.00 0.00 C ATOM 347 OD1 ASN A 22 -9.089 8.583 -4.972 1.00 0.00 O flip ATOM 348 ND2 ASN A 22 -7.504 8.737 -3.389 1.00 0.00 N flip ATOM 0 H ASN A 22 -9.692 4.558 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.467 7.197 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.861 6.039 -3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.527 6.291 -4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.991 8.321 -2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.284 9.685 -3.696 1.00 0.00 H new ATOM 355 N ALA A 23 -11.004 7.199 -0.566 1.00 0.00 N ATOM 356 CA ALA A 23 -12.358 7.619 -0.128 1.00 0.00 C ATOM 357 C ALA A 23 -12.810 9.019 -0.601 1.00 0.00 C ATOM 358 O ALA A 23 -13.490 9.754 0.128 1.00 0.00 O ATOM 359 CB ALA A 23 -12.433 7.527 1.390 1.00 0.00 C ATOM 0 H ALA A 23 -10.395 6.951 0.214 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.054 6.933 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.424 7.833 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.246 6.499 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.682 8.182 1.832 1.00 0.00 H new ATOM 365 N LYS A 24 -12.440 9.361 -1.825 1.00 0.00 N ATOM 366 CA LYS A 24 -12.793 10.637 -2.432 1.00 0.00 C ATOM 367 C LYS A 24 -13.306 10.482 -3.870 1.00 0.00 C ATOM 368 O LYS A 24 -14.360 11.022 -4.218 1.00 0.00 O ATOM 369 CB LYS A 24 -11.584 11.560 -2.425 1.00 0.00 C ATOM 370 CG LYS A 24 -11.536 12.519 -1.240 1.00 0.00 C ATOM 371 CD LYS A 24 -10.645 12.004 -0.113 1.00 0.00 C ATOM 372 CE LYS A 24 -9.168 12.342 -0.335 1.00 0.00 C ATOM 373 NZ LYS A 24 -8.902 13.808 -0.256 1.00 0.00 N ATOM 0 H LYS A 24 -11.883 8.758 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.602 11.063 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.678 10.954 -2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.579 12.140 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.169 13.489 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.546 12.674 -0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.975 12.434 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.759 10.923 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.564 11.825 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.856 11.971 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.885 13.969 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.198 14.263 -1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.437 14.216 0.537 1.00 0.00 H new ATOM 387 N ALA A 25 -12.532 9.768 -4.702 1.00 0.00 N ATOM 388 CA ALA A 25 -12.864 9.555 -6.118 1.00 0.00 C ATOM 389 C ALA A 25 -13.858 8.413 -6.316 1.00 0.00 C ATOM 390 O ALA A 25 -15.003 8.623 -6.727 1.00 0.00 O ATOM 391 CB ALA A 25 -11.580 9.277 -6.890 1.00 0.00 C ATOM 0 H ALA A 25 -11.661 9.323 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.344 10.458 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.815 9.117 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.906 10.128 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.099 8.386 -6.487 1.00 0.00 H new ATOM 397 N GLY A 26 -13.386 7.220 -6.004 1.00 0.00 N ATOM 398 CA GLY A 26 -14.171 6.002 -6.111 1.00 0.00 C ATOM 399 C GLY A 26 -13.771 5.035 -5.025 1.00 0.00 C ATOM 400 O GLY A 26 -14.111 3.850 -5.060 1.00 0.00 O ATOM 0 H GLY A 26 -12.436 7.067 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.233 6.235 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.019 5.546 -7.089 1.00 0.00 H new ATOM 404 N LEU A 27 -13.031 5.587 -4.047 1.00 0.00 N ATOM 405 CA LEU A 27 -12.514 4.873 -2.879 1.00 0.00 C ATOM 406 C LEU A 27 -11.409 3.878 -3.257 1.00 0.00 C ATOM 407 O LEU A 27 -10.373 4.323 -3.749 1.00 0.00 O ATOM 408 CB LEU A 27 -13.657 4.311 -2.016 1.00 0.00 C ATOM 409 CG LEU A 27 -14.573 5.414 -1.445 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.761 5.667 -2.364 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.049 5.058 -0.048 1.00 0.00 C ATOM 0 H LEU A 27 -12.771 6.573 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.006 5.583 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.254 3.623 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.235 3.734 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.987 6.331 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.390 6.449 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.402 5.983 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.342 4.750 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.693 5.852 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.608 4.123 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.189 4.943 0.611 1.00 0.00 H new ATOM 423 N CYS A 28 -11.584 2.567 -3.036 1.00 0.00 N ATOM 424 CA CYS A 28 -10.548 1.574 -3.355 1.00 0.00 C ATOM 425 C CYS A 28 -9.809 1.870 -4.667 1.00 0.00 C ATOM 426 O CYS A 28 -10.392 1.889 -5.756 1.00 0.00 O ATOM 427 CB CYS A 28 -11.145 0.186 -3.362 1.00 0.00 C ATOM 428 SG CYS A 28 -11.888 -0.306 -1.772 1.00 0.00 S ATOM 0 H CYS A 28 -12.434 2.169 -2.637 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.793 1.635 -2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.907 0.133 -4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.368 -0.532 -3.627 1.00 0.00 H new ATOM 433 N GLN A 29 -8.520 2.160 -4.493 1.00 0.00 N ATOM 434 CA GLN A 29 -7.612 2.538 -5.565 1.00 0.00 C ATOM 435 C GLN A 29 -6.383 1.592 -5.639 1.00 0.00 C ATOM 436 O GLN A 29 -6.537 0.383 -5.462 1.00 0.00 O ATOM 437 CB GLN A 29 -7.256 4.024 -5.358 1.00 0.00 C ATOM 438 CG GLN A 29 -7.529 4.904 -6.565 1.00 0.00 C ATOM 439 CD GLN A 29 -6.522 4.721 -7.692 1.00 0.00 C ATOM 440 OE1 GLN A 29 -6.388 3.632 -8.252 1.00 0.00 O ATOM 441 NE2 GLN A 29 -5.809 5.791 -8.026 1.00 0.00 N ATOM 0 H GLN A 29 -8.071 2.137 -3.577 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.084 2.426 -6.541 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.822 4.406 -4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.200 4.100 -5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.528 4.688 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.525 5.948 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.953 6.673 -7.535 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.118 5.730 -8.773 1.00 0.00 H new ATOM 450 N THR A 30 -5.188 2.136 -5.940 1.00 0.00 N ATOM 451 CA THR A 30 -3.947 1.319 -6.091 1.00 0.00 C ATOM 452 C THR A 30 -2.697 1.963 -5.481 1.00 0.00 C ATOM 453 O THR A 30 -2.565 3.190 -5.506 1.00 0.00 O ATOM 454 CB THR A 30 -3.657 1.059 -7.573 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.677 2.269 -8.313 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.623 0.097 -8.234 1.00 0.00 C ATOM 0 H THR A 30 -5.046 3.136 -6.085 1.00 0.00 H new ATOM 0 HA THR A 30 -4.148 0.395 -5.549 1.00 0.00 H new ATOM 0 HB THR A 30 -2.667 0.603 -7.584 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.586 2.635 -8.317 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.348 -0.033 -9.281 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.582 -0.867 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.635 0.497 -8.171 1.00 0.00 H new ATOM 464 N PHE A 31 -1.746 1.127 -4.958 1.00 0.00 N ATOM 465 CA PHE A 31 -0.481 1.689 -4.360 1.00 0.00 C ATOM 466 C PHE A 31 0.585 0.685 -3.849 1.00 0.00 C ATOM 467 O PHE A 31 1.744 1.079 -3.679 1.00 0.00 O ATOM 468 CB PHE A 31 -0.806 2.572 -3.110 1.00 0.00 C ATOM 469 CG PHE A 31 -1.252 1.800 -1.867 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.966 0.602 -1.956 1.00 0.00 C ATOM 471 CD2 PHE A 31 -0.948 2.280 -0.609 1.00 0.00 C ATOM 472 CE1 PHE A 31 -2.355 -0.079 -0.825 1.00 0.00 C ATOM 473 CE2 PHE A 31 -1.342 1.600 0.525 1.00 0.00 C ATOM 474 CZ PHE A 31 -2.044 0.422 0.414 1.00 0.00 C ATOM 0 H PHE A 31 -1.819 0.110 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.062 2.221 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.079 3.156 -2.857 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.590 3.280 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.217 0.204 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.393 3.202 -0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.904 -1.005 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.099 1.993 1.501 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.351 -0.109 1.303 1.00 0.00 H new ATOM 484 N VAL A 32 0.151 -0.519 -3.454 1.00 0.00 N ATOM 485 CA VAL A 32 1.005 -1.521 -2.752 1.00 0.00 C ATOM 486 C VAL A 32 2.236 -0.904 -2.084 1.00 0.00 C ATOM 487 O VAL A 32 2.078 -0.242 -1.056 1.00 0.00 O ATOM 488 CB VAL A 32 1.329 -2.852 -3.511 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.562 -3.584 -2.954 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.159 -3.785 -3.359 1.00 0.00 C ATOM 0 H VAL A 32 -0.805 -0.839 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 32 0.337 -1.863 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 32 1.529 -2.583 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.731 -4.498 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.436 -2.938 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.393 -3.836 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.368 -4.718 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.007 -3.991 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.732 -3.323 -3.783 1.00 0.00 H new ATOM 500 N TYR A 33 3.443 -1.180 -2.609 1.00 0.00 N ATOM 501 CA TYR A 33 4.682 -0.725 -1.980 1.00 0.00 C ATOM 502 C TYR A 33 5.960 -1.244 -2.662 1.00 0.00 C ATOM 503 O TYR A 33 5.913 -1.855 -3.737 1.00 0.00 O ATOM 504 CB TYR A 33 4.548 -1.188 -0.511 1.00 0.00 C ATOM 505 CG TYR A 33 5.435 -2.267 0.032 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.409 -3.537 -0.503 1.00 0.00 C ATOM 507 CD2 TYR A 33 6.218 -2.028 1.129 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.168 -4.551 0.043 1.00 0.00 C ATOM 509 CE2 TYR A 33 6.965 -3.024 1.694 1.00 0.00 C ATOM 510 CZ TYR A 33 6.944 -4.289 1.150 1.00 0.00 C ATOM 511 OH TYR A 33 7.695 -5.294 1.716 1.00 0.00 O ATOM 0 H TYR A 33 3.580 -1.716 -3.466 1.00 0.00 H new ATOM 0 HA TYR A 33 4.800 0.355 -2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.690 -0.309 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.518 -1.517 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.786 -3.741 -1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.246 -1.036 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.154 -5.539 -0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.570 -2.819 2.565 1.00 0.00 H new ATOM 0 HH TYR A 33 8.185 -4.941 2.488 1.00 0.00 H new ATOM 521 N GLY A 34 7.090 -0.991 -1.983 1.00 0.00 N ATOM 522 CA GLY A 34 8.385 -1.423 -2.436 1.00 0.00 C ATOM 523 C GLY A 34 8.942 -2.541 -1.571 1.00 0.00 C ATOM 524 O GLY A 34 8.614 -3.711 -1.784 1.00 0.00 O ATOM 0 H GLY A 34 7.112 -0.477 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.314 -1.764 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.074 -0.578 -2.426 1.00 0.00 H new ATOM 528 N GLY A 35 9.788 -2.184 -0.593 1.00 0.00 N ATOM 529 CA GLY A 35 10.381 -3.186 0.286 1.00 0.00 C ATOM 530 C GLY A 35 10.690 -2.670 1.685 1.00 0.00 C ATOM 531 O GLY A 35 11.805 -2.855 2.182 1.00 0.00 O ATOM 0 H GLY A 35 10.070 -1.223 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.702 -4.035 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.302 -3.554 -0.167 1.00 0.00 H new ATOM 535 N CYS A 36 9.696 -2.040 2.320 1.00 0.00 N ATOM 536 CA CYS A 36 9.839 -1.503 3.677 1.00 0.00 C ATOM 537 C CYS A 36 8.844 -2.213 4.623 1.00 0.00 C ATOM 538 O CYS A 36 8.622 -3.419 4.476 1.00 0.00 O ATOM 539 CB CYS A 36 9.623 0.020 3.658 1.00 0.00 C ATOM 540 SG CYS A 36 10.560 0.905 2.364 1.00 0.00 S ATOM 0 H CYS A 36 8.774 -1.889 1.910 1.00 0.00 H new ATOM 0 HA CYS A 36 10.846 -1.691 4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.561 0.221 3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.901 0.425 4.631 1.00 0.00 H new ATOM 545 N ARG A 37 8.238 -1.476 5.584 1.00 0.00 N ATOM 546 CA ARG A 37 7.265 -2.056 6.526 1.00 0.00 C ATOM 547 C ARG A 37 5.852 -2.079 5.937 1.00 0.00 C ATOM 548 O ARG A 37 4.850 -2.132 6.662 1.00 0.00 O ATOM 549 CB ARG A 37 7.296 -1.310 7.880 1.00 0.00 C ATOM 550 CG ARG A 37 6.798 0.136 7.829 1.00 0.00 C ATOM 551 CD ARG A 37 6.714 0.759 9.217 1.00 0.00 C ATOM 552 NE ARG A 37 5.652 0.154 10.033 1.00 0.00 N ATOM 553 CZ ARG A 37 5.363 0.507 11.294 1.00 0.00 C ATOM 554 NH1 ARG A 37 6.044 1.469 11.914 1.00 0.00 N ATOM 555 NH2 ARG A 37 4.380 -0.108 11.938 1.00 0.00 N ATOM 0 H ARG A 37 8.409 -0.480 5.723 1.00 0.00 H new ATOM 0 HA ARG A 37 7.556 -3.091 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.689 -1.863 8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.319 -1.314 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.468 0.728 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.815 0.165 7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.671 0.642 9.725 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.532 1.830 9.123 1.00 0.00 H new ATOM 0 HE ARG A 37 5.095 -0.588 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.801 1.952 11.429 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.809 1.723 12.873 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.849 -0.845 11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.155 0.156 12.897 1.00 0.00 H new ATOM 569 N ALA A 38 5.802 -2.038 4.601 1.00 0.00 N ATOM 570 CA ALA A 38 4.555 -2.043 3.812 1.00 0.00 C ATOM 571 C ALA A 38 3.528 -0.997 4.320 1.00 0.00 C ATOM 572 O ALA A 38 2.323 -1.133 4.078 1.00 0.00 O ATOM 573 CB ALA A 38 3.949 -3.450 3.772 1.00 0.00 C ATOM 0 H ALA A 38 6.641 -2.000 4.022 1.00 0.00 H new ATOM 0 HA ALA A 38 4.813 -1.750 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.030 -3.434 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.659 -4.139 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.726 -3.779 4.787 1.00 0.00 H new ATOM 579 N LYS A 39 4.035 0.041 5.041 1.00 0.00 N ATOM 580 CA LYS A 39 3.246 1.141 5.637 1.00 0.00 C ATOM 581 C LYS A 39 1.862 0.679 6.125 1.00 0.00 C ATOM 582 O LYS A 39 0.883 1.418 6.040 1.00 0.00 O ATOM 583 CB LYS A 39 3.138 2.320 4.644 1.00 0.00 C ATOM 584 CG LYS A 39 2.726 3.665 5.259 1.00 0.00 C ATOM 585 CD LYS A 39 3.859 4.314 6.047 1.00 0.00 C ATOM 586 CE LYS A 39 3.431 5.643 6.647 1.00 0.00 C ATOM 587 NZ LYS A 39 4.532 6.285 7.419 1.00 0.00 N ATOM 0 H LYS A 39 5.034 0.132 5.225 1.00 0.00 H new ATOM 0 HA LYS A 39 3.777 1.484 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.101 2.446 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.416 2.057 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.404 4.341 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.870 3.514 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.182 3.642 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.717 4.469 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.107 6.313 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.573 5.487 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.199 7.189 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.824 5.657 8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.342 6.458 6.790 1.00 0.00 H new ATOM 601 N SER A 40 1.812 -0.561 6.651 1.00 0.00 N ATOM 602 CA SER A 40 0.571 -1.179 7.186 1.00 0.00 C ATOM 603 C SER A 40 -0.567 -1.325 6.133 1.00 0.00 C ATOM 604 O SER A 40 -1.079 -2.432 5.947 1.00 0.00 O ATOM 605 CB SER A 40 0.088 -0.406 8.421 1.00 0.00 C ATOM 606 OG SER A 40 -1.013 -1.048 9.045 1.00 0.00 O ATOM 0 H SER A 40 2.629 -1.167 6.719 1.00 0.00 H new ATOM 0 HA SER A 40 0.831 -2.198 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.907 -0.312 9.135 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.198 0.605 8.129 1.00 0.00 H new ATOM 0 HG SER A 40 -1.293 -0.529 9.828 1.00 0.00 H new ATOM 612 N ASN A 41 -0.956 -0.220 5.440 1.00 0.00 N ATOM 613 CA ASN A 41 -2.005 -0.241 4.421 1.00 0.00 C ATOM 614 C ASN A 41 -1.527 -1.055 3.226 1.00 0.00 C ATOM 615 O ASN A 41 -0.351 -0.957 2.863 1.00 0.00 O ATOM 616 CB ASN A 41 -2.320 1.191 3.981 1.00 0.00 C ATOM 617 CG ASN A 41 -3.753 1.369 3.510 1.00 0.00 C ATOM 618 OD1 ASN A 41 -4.694 1.075 4.246 1.00 0.00 O ATOM 619 ND2 ASN A 41 -3.927 1.882 2.295 1.00 0.00 N ATOM 0 H ASN A 41 -0.543 0.702 5.583 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.907 -0.695 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.130 1.870 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.642 1.475 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.869 2.046 1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.118 2.112 1.718 1.00 0.00 H new ATOM 626 N ASN A 42 -2.423 -1.871 2.634 1.00 0.00 N ATOM 627 CA ASN A 42 -2.082 -2.739 1.499 1.00 0.00 C ATOM 628 C ASN A 42 -3.223 -3.740 1.318 1.00 0.00 C ATOM 629 O ASN A 42 -3.412 -4.628 2.159 1.00 0.00 O ATOM 630 CB ASN A 42 -0.721 -3.440 1.775 1.00 0.00 C ATOM 631 CG ASN A 42 -0.323 -4.503 0.757 1.00 0.00 C ATOM 632 OD1 ASN A 42 -1.025 -5.496 0.562 1.00 0.00 O ATOM 633 ND2 ASN A 42 0.819 -4.299 0.111 1.00 0.00 N ATOM 0 H ASN A 42 -3.396 -1.943 2.930 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.967 -2.169 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.061 -2.681 1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.761 -3.901 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.144 -4.979 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.371 -3.463 0.302 1.00 0.00 H new ATOM 640 N PHE A 43 -4.002 -3.573 0.244 1.00 0.00 N ATOM 641 CA PHE A 43 -5.136 -4.443 -0.005 1.00 0.00 C ATOM 642 C PHE A 43 -5.006 -5.122 -1.368 1.00 0.00 C ATOM 643 O PHE A 43 -4.077 -4.827 -2.126 1.00 0.00 O ATOM 644 CB PHE A 43 -6.467 -3.678 0.075 1.00 0.00 C ATOM 645 CG PHE A 43 -6.514 -2.440 0.949 1.00 0.00 C ATOM 646 CD1 PHE A 43 -6.047 -2.445 2.256 1.00 0.00 C ATOM 647 CD2 PHE A 43 -7.048 -1.265 0.444 1.00 0.00 C ATOM 648 CE1 PHE A 43 -6.109 -1.305 3.030 1.00 0.00 C ATOM 649 CE2 PHE A 43 -7.115 -0.126 1.219 1.00 0.00 C ATOM 650 CZ PHE A 43 -6.645 -0.145 2.510 1.00 0.00 C ATOM 0 H PHE A 43 -3.862 -2.846 -0.458 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.137 -5.205 0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.748 -3.386 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.231 -4.369 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.631 -3.351 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.417 -1.241 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.738 -1.320 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.537 0.781 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.695 0.747 3.117 1.00 0.00 H new ATOM 660 N LYS A 44 -5.941 -6.038 -1.668 1.00 0.00 N ATOM 661 CA LYS A 44 -5.925 -6.774 -2.941 1.00 0.00 C ATOM 662 C LYS A 44 -7.322 -6.911 -3.567 1.00 0.00 C ATOM 663 O LYS A 44 -7.438 -7.267 -4.745 1.00 0.00 O ATOM 664 CB LYS A 44 -5.306 -8.160 -2.733 1.00 0.00 C ATOM 665 CG LYS A 44 -4.750 -8.803 -4.000 1.00 0.00 C ATOM 666 CD LYS A 44 -4.155 -10.172 -3.714 1.00 0.00 C ATOM 667 CE LYS A 44 -3.600 -10.812 -4.977 1.00 0.00 C ATOM 668 NZ LYS A 44 -3.014 -12.154 -4.708 1.00 0.00 N ATOM 0 H LYS A 44 -6.713 -6.285 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.320 -6.195 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.503 -8.079 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.061 -8.821 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.545 -8.898 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.987 -8.156 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.361 -10.077 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.918 -10.819 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.395 -10.905 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.838 -10.163 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.647 -12.556 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.238 -12.063 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.747 -12.782 -4.320 1.00 0.00 H new ATOM 682 N SER A 45 -8.369 -6.637 -2.781 1.00 0.00 N ATOM 683 CA SER A 45 -9.762 -6.740 -3.252 1.00 0.00 C ATOM 684 C SER A 45 -10.703 -5.910 -2.365 1.00 0.00 C ATOM 685 O SER A 45 -10.243 -5.091 -1.563 1.00 0.00 O ATOM 686 CB SER A 45 -10.212 -8.218 -3.288 1.00 0.00 C ATOM 687 OG SER A 45 -10.106 -8.822 -2.010 1.00 0.00 O ATOM 0 H SER A 45 -8.281 -6.340 -1.809 1.00 0.00 H new ATOM 0 HA SER A 45 -9.810 -6.339 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.243 -8.278 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.602 -8.768 -4.004 1.00 0.00 H new ATOM 0 HG SER A 45 -9.162 -8.887 -1.756 1.00 0.00 H new ATOM 693 N ALA A 46 -12.024 -6.131 -2.514 1.00 0.00 N ATOM 694 CA ALA A 46 -13.042 -5.419 -1.737 1.00 0.00 C ATOM 695 C ALA A 46 -13.009 -5.812 -0.260 1.00 0.00 C ATOM 696 O ALA A 46 -13.139 -4.958 0.621 1.00 0.00 O ATOM 697 CB ALA A 46 -14.424 -5.665 -2.325 1.00 0.00 C ATOM 0 H ALA A 46 -12.408 -6.806 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.816 -4.354 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.170 -5.130 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.450 -5.309 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.643 -6.732 -2.304 1.00 0.00 H new ATOM 703 N GLU A 47 -12.810 -7.112 -0.010 1.00 0.00 N ATOM 704 CA GLU A 47 -12.734 -7.663 1.350 1.00 0.00 C ATOM 705 C GLU A 47 -11.524 -7.095 2.102 1.00 0.00 C ATOM 706 O GLU A 47 -11.617 -6.749 3.282 1.00 0.00 O ATOM 707 CB GLU A 47 -12.671 -9.195 1.292 1.00 0.00 C ATOM 708 CG GLU A 47 -13.023 -9.911 2.600 1.00 0.00 C ATOM 709 CD GLU A 47 -14.501 -9.828 2.959 1.00 0.00 C ATOM 710 OE1 GLU A 47 -15.002 -8.701 3.168 1.00 0.00 O ATOM 711 OE2 GLU A 47 -15.154 -10.889 3.029 1.00 0.00 O ATOM 0 H GLU A 47 -12.697 -7.812 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.631 -7.371 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.349 -9.542 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.665 -9.491 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.735 -10.959 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.436 -9.480 3.411 1.00 0.00 H new ATOM 718 N ASP A 48 -10.410 -6.977 1.372 1.00 0.00 N ATOM 719 CA ASP A 48 -9.151 -6.430 1.871 1.00 0.00 C ATOM 720 C ASP A 48 -9.308 -4.956 2.239 1.00 0.00 C ATOM 721 O ASP A 48 -9.102 -4.535 3.375 1.00 0.00 O ATOM 722 CB ASP A 48 -8.111 -6.544 0.775 1.00 0.00 C ATOM 723 CG ASP A 48 -7.674 -7.971 0.490 1.00 0.00 C ATOM 724 OD1 ASP A 48 -7.174 -8.638 1.420 1.00 0.00 O ATOM 725 OD2 ASP A 48 -7.828 -8.418 -0.666 1.00 0.00 O ATOM 0 H ASP A 48 -10.361 -7.267 0.395 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.851 -6.986 2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.511 -6.107 -0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.237 -5.955 1.054 1.00 0.00 H new ATOM 730 N CYS A 49 -9.689 -4.202 1.223 1.00 0.00 N ATOM 731 CA CYS A 49 -9.931 -2.764 1.287 1.00 0.00 C ATOM 732 C CYS A 49 -10.908 -2.393 2.412 1.00 0.00 C ATOM 733 O CYS A 49 -10.765 -1.352 3.070 1.00 0.00 O ATOM 734 CB CYS A 49 -10.526 -2.387 -0.056 1.00 0.00 C ATOM 735 SG CYS A 49 -10.292 -0.653 -0.563 1.00 0.00 S ATOM 0 H CYS A 49 -9.846 -4.587 0.291 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.004 -2.232 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.091 -3.032 -0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.595 -2.598 -0.032 1.00 0.00 H new ATOM 740 N MET A 50 -11.904 -3.270 2.604 1.00 0.00 N ATOM 741 CA MET A 50 -12.942 -3.087 3.609 1.00 0.00 C ATOM 742 C MET A 50 -12.467 -3.355 5.037 1.00 0.00 C ATOM 743 O MET A 50 -12.707 -2.530 5.923 1.00 0.00 O ATOM 744 CB MET A 50 -14.139 -3.959 3.275 1.00 0.00 C ATOM 745 CG MET A 50 -15.102 -3.316 2.293 1.00 0.00 C ATOM 746 SD MET A 50 -16.530 -4.354 1.931 1.00 0.00 S ATOM 747 CE MET A 50 -17.441 -3.285 0.821 1.00 0.00 C ATOM 0 H MET A 50 -12.006 -4.127 2.061 1.00 0.00 H new ATOM 0 HA MET A 50 -13.225 -2.035 3.580 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.786 -4.903 2.860 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.674 -4.195 4.195 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.444 -2.364 2.698 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.574 -3.096 1.365 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.357 -3.785 0.505 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.693 -2.357 1.334 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.829 -3.062 -0.053 1.00 0.00 H new ATOM 757 N ARG A 51 -11.801 -4.505 5.259 1.00 0.00 N ATOM 758 CA ARG A 51 -11.308 -4.882 6.597 1.00 0.00 C ATOM 759 C ARG A 51 -10.385 -3.825 7.214 1.00 0.00 C ATOM 760 O ARG A 51 -10.360 -3.653 8.436 1.00 0.00 O ATOM 761 CB ARG A 51 -10.632 -6.270 6.593 1.00 0.00 C ATOM 762 CG ARG A 51 -9.631 -6.547 5.472 1.00 0.00 C ATOM 763 CD ARG A 51 -8.254 -5.953 5.753 1.00 0.00 C ATOM 764 NE ARG A 51 -7.273 -6.265 4.695 1.00 0.00 N ATOM 765 CZ ARG A 51 -6.634 -7.442 4.555 1.00 0.00 C ATOM 766 NH1 ARG A 51 -6.853 -8.448 5.400 1.00 0.00 N ATOM 767 NH2 ARG A 51 -5.772 -7.605 3.562 1.00 0.00 N ATOM 0 H ARG A 51 -11.593 -5.187 4.530 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.192 -4.940 7.232 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.119 -6.401 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.414 -7.028 6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.536 -7.624 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.015 -6.137 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.343 -4.871 5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.887 -6.332 6.707 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.063 -5.532 4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.514 -8.334 6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.360 -9.333 5.279 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.596 -6.841 2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.285 -8.494 3.450 1.00 0.00 H new ATOM 781 N THR A 52 -9.644 -3.120 6.355 1.00 0.00 N ATOM 782 CA THR A 52 -8.729 -2.073 6.801 1.00 0.00 C ATOM 783 C THR A 52 -9.453 -0.722 6.965 1.00 0.00 C ATOM 784 O THR A 52 -9.369 -0.118 8.039 1.00 0.00 O ATOM 785 CB THR A 52 -7.530 -1.932 5.857 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.039 -3.199 5.463 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.351 -1.170 6.456 1.00 0.00 C ATOM 0 H THR A 52 -9.662 -3.258 5.345 1.00 0.00 H new ATOM 0 HA THR A 52 -8.353 -2.375 7.778 1.00 0.00 H new ATOM 0 HB THR A 52 -7.921 -1.366 5.011 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.652 -3.135 4.565 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.544 -1.114 5.725 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.668 -0.162 6.724 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.998 -1.689 7.347 1.00 0.00 H new ATOM 795 N CYS A 53 -10.150 -0.235 5.906 1.00 0.00 N ATOM 796 CA CYS A 53 -10.846 1.064 6.000 1.00 0.00 C ATOM 797 C CYS A 53 -12.170 1.125 5.224 1.00 0.00 C ATOM 798 O CYS A 53 -12.779 2.198 5.118 1.00 0.00 O ATOM 799 CB CYS A 53 -9.931 2.191 5.523 1.00 0.00 C ATOM 800 SG CYS A 53 -10.170 3.721 6.476 1.00 0.00 S ATOM 0 H CYS A 53 -10.241 -0.708 5.007 1.00 0.00 H new ATOM 0 HA CYS A 53 -11.095 1.187 7.054 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.892 1.872 5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.121 2.389 4.468 1.00 0.00 H new ATOM 805 N GLY A 54 -12.618 -0.010 4.691 1.00 0.00 N ATOM 806 CA GLY A 54 -13.872 -0.041 3.937 1.00 0.00 C ATOM 807 C GLY A 54 -15.089 -0.275 4.815 1.00 0.00 C ATOM 808 O GLY A 54 -15.939 0.612 4.948 1.00 0.00 O ATOM 0 H GLY A 54 -12.141 -0.908 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.992 0.902 3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.817 -0.828 3.185 1.00 0.00 H new