USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 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 9 ASN : amide:sc= 0.791 K(o=1.7,f=-3) USER MOD Set 1.2: A 14 LYS NZ :NH3+ -133:sc= 0.903 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc=0.000983 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.21) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 1.22 (180deg=-0.214!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 124:sc= 0.993 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 103:sc= 1.1 USER MOD Single : A 26 THR OG1 : rot -130:sc= 0.007 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.935 X(o=-0.93,f=-1.3!) USER MOD Single : A 45 THR OG1 : rot 67:sc= 0.214 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 113:sc= 1.14 USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0.446 (180deg=0.401) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.198 1.221 -1.662 1.00 0.00 N ATOM 2 CA MET A 1 -14.906 1.881 -0.382 1.00 0.00 C ATOM 3 C MET A 1 -14.686 0.816 0.675 1.00 0.00 C ATOM 4 O MET A 1 -15.629 0.109 1.037 1.00 0.00 O ATOM 5 CB MET A 1 -16.012 2.856 0.041 1.00 0.00 C ATOM 6 CG MET A 1 -15.719 3.496 1.402 1.00 0.00 C ATOM 7 SD MET A 1 -17.020 4.597 1.999 1.00 0.00 S ATOM 8 CE MET A 1 -16.298 4.994 3.613 1.00 0.00 C ATOM 0 H1 MET A 1 -14.986 1.872 -2.445 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.611 0.367 -1.754 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.203 0.956 -1.694 1.00 0.00 H new ATOM 0 HA MET A 1 -14.004 2.481 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.116 3.637 -0.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.964 2.328 0.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.562 2.706 2.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.787 4.057 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.959 5.674 4.150 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.173 4.078 4.191 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.327 5.468 3.470 1.00 0.00 H new ATOM 18 N GLY A 2 -13.457 0.705 1.169 1.00 0.00 N ATOM 19 CA GLY A 2 -13.054 -0.237 2.195 1.00 0.00 C ATOM 20 C GLY A 2 -11.756 0.242 2.839 1.00 0.00 C ATOM 21 O GLY A 2 -11.185 1.266 2.433 1.00 0.00 O ATOM 0 H GLY A 2 -12.688 1.294 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.836 -0.327 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.914 -1.227 1.761 1.00 0.00 H new ATOM 25 N THR A 3 -11.310 -0.462 3.874 1.00 0.00 N ATOM 26 CA THR A 3 -10.093 -0.153 4.600 1.00 0.00 C ATOM 27 C THR A 3 -9.003 -1.044 4.009 1.00 0.00 C ATOM 28 O THR A 3 -8.932 -2.235 4.321 1.00 0.00 O ATOM 29 CB THR A 3 -10.325 -0.372 6.105 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.495 0.307 6.532 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.158 0.160 6.927 1.00 0.00 C ATOM 0 H THR A 3 -11.799 -1.281 4.236 1.00 0.00 H new ATOM 0 HA THR A 3 -9.787 0.888 4.499 1.00 0.00 H new ATOM 0 HB THR A 3 -10.427 -1.446 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.629 0.156 7.491 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.352 -0.009 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.243 -0.358 6.638 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.043 1.229 6.746 1.00 0.00 H new ATOM 39 N TYR A 4 -8.123 -0.470 3.189 1.00 0.00 N ATOM 40 CA TYR A 4 -7.059 -1.234 2.562 1.00 0.00 C ATOM 41 C TYR A 4 -5.818 -1.112 3.434 1.00 0.00 C ATOM 42 O TYR A 4 -5.300 -0.013 3.672 1.00 0.00 O ATOM 43 CB TYR A 4 -6.762 -0.721 1.147 1.00 0.00 C ATOM 44 CG TYR A 4 -7.764 -1.105 0.072 1.00 0.00 C ATOM 45 CD1 TYR A 4 -7.942 -2.455 -0.292 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.451 -0.104 -0.638 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.763 -2.797 -1.382 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.292 -0.442 -1.711 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.434 -1.789 -2.106 1.00 0.00 C ATOM 50 OH TYR A 4 -10.212 -2.119 -3.170 1.00 0.00 O ATOM 0 H TYR A 4 -8.131 0.521 2.947 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.365 -2.276 2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.698 0.367 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.780 -1.089 0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.445 -3.232 0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.331 0.932 -0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.880 -3.833 -1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.832 0.332 -2.236 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.602 -1.306 -3.555 1.00 0.00 H new ATOM 60 N LYS A 5 -5.401 -2.254 3.979 1.00 0.00 N ATOM 61 CA LYS A 5 -4.220 -2.345 4.817 1.00 0.00 C ATOM 62 C LYS A 5 -3.031 -2.241 3.871 1.00 0.00 C ATOM 63 O LYS A 5 -2.985 -2.993 2.896 1.00 0.00 O ATOM 64 CB LYS A 5 -4.231 -3.689 5.546 1.00 0.00 C ATOM 65 CG LYS A 5 -2.980 -3.822 6.412 1.00 0.00 C ATOM 66 CD LYS A 5 -2.986 -5.131 7.196 1.00 0.00 C ATOM 67 CE LYS A 5 -1.664 -5.210 7.950 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.529 -6.460 8.712 1.00 0.00 N ATOM 0 H LYS A 5 -5.881 -3.144 3.847 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.178 -1.561 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.123 -3.768 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.272 -4.504 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.092 -3.777 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.923 -2.981 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.827 -5.161 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.097 -5.982 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.839 -5.128 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.585 -4.362 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.588 -6.498 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.259 -6.496 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.645 -7.271 8.072 1.00 0.00 H new ATOM 82 N LEU A 6 -2.105 -1.327 4.139 1.00 0.00 N ATOM 83 CA LEU A 6 -0.923 -1.112 3.318 1.00 0.00 C ATOM 84 C LEU A 6 0.249 -1.850 3.956 1.00 0.00 C ATOM 85 O LEU A 6 0.494 -1.695 5.155 1.00 0.00 O ATOM 86 CB LEU A 6 -0.649 0.400 3.241 1.00 0.00 C ATOM 87 CG LEU A 6 0.279 0.906 2.118 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.625 0.196 1.979 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.406 0.858 0.752 1.00 0.00 C ATOM 0 H LEU A 6 -2.157 -0.706 4.946 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.069 -1.493 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.607 0.909 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.222 0.712 4.194 1.00 0.00 H new ATOM 0 HG LEU A 6 0.488 1.927 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.187 0.640 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.190 0.303 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.459 -0.862 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.280 1.222 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.691 -0.169 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.297 1.486 0.769 1.00 0.00 H new ATOM 101 N ILE A 7 0.955 -2.665 3.177 1.00 0.00 N ATOM 102 CA ILE A 7 2.120 -3.419 3.612 1.00 0.00 C ATOM 103 C ILE A 7 3.242 -3.022 2.657 1.00 0.00 C ATOM 104 O ILE A 7 3.088 -3.072 1.433 1.00 0.00 O ATOM 105 CB ILE A 7 1.879 -4.944 3.653 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.689 -5.338 4.555 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.141 -5.649 4.186 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.628 -5.433 3.787 1.00 0.00 C ATOM 0 H ILE A 7 0.722 -2.821 2.196 1.00 0.00 H new ATOM 0 HA ILE A 7 2.375 -3.179 4.644 1.00 0.00 H new ATOM 0 HB ILE A 7 1.648 -5.254 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.899 -6.297 5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.586 -4.604 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.972 -6.725 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.984 -5.432 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.362 -5.289 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.429 -5.713 4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.857 -4.467 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.539 -6.187 3.004 1.00 0.00 H new ATOM 120 N LEU A 8 4.346 -2.548 3.217 1.00 0.00 N ATOM 121 CA LEU A 8 5.522 -2.134 2.480 1.00 0.00 C ATOM 122 C LEU A 8 6.477 -3.314 2.570 1.00 0.00 C ATOM 123 O LEU A 8 6.930 -3.639 3.668 1.00 0.00 O ATOM 124 CB LEU A 8 6.105 -0.852 3.114 1.00 0.00 C ATOM 125 CG LEU A 8 6.338 0.277 2.103 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.036 0.818 1.510 1.00 0.00 C ATOM 127 CD2 LEU A 8 7.071 1.427 2.799 1.00 0.00 C ATOM 0 H LEU A 8 4.447 -2.439 4.226 1.00 0.00 H new ATOM 0 HA LEU A 8 5.316 -1.887 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.427 -0.499 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.050 -1.094 3.601 1.00 0.00 H new ATOM 0 HG LEU A 8 6.928 -0.138 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.262 1.615 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.509 0.014 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.408 1.211 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.241 2.234 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.466 1.795 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.029 1.071 3.179 1.00 0.00 H new ATOM 139 N ASN A 9 6.754 -3.973 1.449 1.00 0.00 N ATOM 140 CA ASN A 9 7.655 -5.112 1.366 1.00 0.00 C ATOM 141 C ASN A 9 8.771 -4.668 0.433 1.00 0.00 C ATOM 142 O ASN A 9 8.732 -4.917 -0.773 1.00 0.00 O ATOM 143 CB ASN A 9 6.918 -6.371 0.892 1.00 0.00 C ATOM 144 CG ASN A 9 7.851 -7.574 0.887 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.943 -8.304 1.869 1.00 0.00 O ATOM 146 ND2 ASN A 9 8.578 -7.827 -0.176 1.00 0.00 N ATOM 0 H ASN A 9 6.345 -3.720 0.549 1.00 0.00 H new ATOM 0 HA ASN A 9 8.065 -5.397 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.068 -6.567 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.520 -6.209 -0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.213 -8.625 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.508 -7.225 -0.997 1.00 0.00 H new ATOM 153 N GLY A 10 9.704 -3.901 0.992 1.00 0.00 N ATOM 154 CA GLY A 10 10.838 -3.381 0.261 1.00 0.00 C ATOM 155 C GLY A 10 11.967 -4.398 0.246 1.00 0.00 C ATOM 156 O GLY A 10 11.912 -5.423 0.928 1.00 0.00 O ATOM 0 H GLY A 10 9.687 -3.625 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.542 -3.141 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.181 -2.454 0.720 1.00 0.00 H new ATOM 160 N LYS A 11 13.019 -4.092 -0.516 1.00 0.00 N ATOM 161 CA LYS A 11 14.191 -4.963 -0.629 1.00 0.00 C ATOM 162 C LYS A 11 15.245 -4.667 0.437 1.00 0.00 C ATOM 163 O LYS A 11 16.267 -5.355 0.487 1.00 0.00 O ATOM 164 CB LYS A 11 14.765 -4.933 -2.058 1.00 0.00 C ATOM 165 CG LYS A 11 15.680 -3.762 -2.457 1.00 0.00 C ATOM 166 CD LYS A 11 15.012 -2.388 -2.400 1.00 0.00 C ATOM 167 CE LYS A 11 15.765 -1.407 -3.304 1.00 0.00 C ATOM 168 NZ LYS A 11 15.093 -0.096 -3.402 1.00 0.00 N ATOM 0 H LYS A 11 13.083 -3.238 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 11 13.860 -5.983 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.323 -5.857 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.925 -4.949 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.550 -3.757 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.046 -3.932 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.972 -2.465 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.005 -2.019 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.775 -1.266 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.861 -1.837 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.806 0.651 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.449 -0.096 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.550 0.082 -2.533 1.00 0.00 H new ATOM 182 N THR A 12 15.028 -3.654 1.276 1.00 0.00 N ATOM 183 CA THR A 12 15.958 -3.255 2.329 1.00 0.00 C ATOM 184 C THR A 12 15.233 -2.943 3.651 1.00 0.00 C ATOM 185 O THR A 12 15.870 -2.975 4.708 1.00 0.00 O ATOM 186 CB THR A 12 16.779 -2.056 1.795 1.00 0.00 C ATOM 187 OG1 THR A 12 17.304 -2.320 0.502 1.00 0.00 O ATOM 188 CG2 THR A 12 17.963 -1.662 2.684 1.00 0.00 C ATOM 0 H THR A 12 14.186 -3.079 1.241 1.00 0.00 H new ATOM 0 HA THR A 12 16.632 -4.077 2.571 1.00 0.00 H new ATOM 0 HB THR A 12 16.063 -1.234 1.778 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.816 -1.544 0.192 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.486 -0.815 2.240 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.599 -1.385 3.673 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.648 -2.505 2.772 1.00 0.00 H new ATOM 196 N LEU A 13 13.950 -2.560 3.618 1.00 0.00 N ATOM 197 CA LEU A 13 13.130 -2.240 4.787 1.00 0.00 C ATOM 198 C LEU A 13 11.670 -2.619 4.532 1.00 0.00 C ATOM 199 O LEU A 13 11.299 -2.915 3.393 1.00 0.00 O ATOM 200 CB LEU A 13 13.297 -0.759 5.202 1.00 0.00 C ATOM 201 CG LEU A 13 12.687 0.360 4.325 1.00 0.00 C ATOM 202 CD1 LEU A 13 13.136 0.318 2.861 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.159 0.467 4.409 1.00 0.00 C ATOM 0 H LEU A 13 13.438 -2.462 2.741 1.00 0.00 H new ATOM 0 HA LEU A 13 13.477 -2.835 5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.878 -0.653 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.366 -0.563 5.282 1.00 0.00 H new ATOM 0 HG LEU A 13 13.098 1.266 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.665 1.134 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.220 0.424 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.843 -0.634 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.815 1.276 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.710 -0.472 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.865 0.673 5.438 1.00 0.00 H new ATOM 215 N LYS A 14 10.833 -2.577 5.573 1.00 0.00 N ATOM 216 CA LYS A 14 9.403 -2.890 5.510 1.00 0.00 C ATOM 217 C LYS A 14 8.590 -1.888 6.322 1.00 0.00 C ATOM 218 O LYS A 14 9.164 -1.115 7.092 1.00 0.00 O ATOM 219 CB LYS A 14 9.126 -4.312 6.006 1.00 0.00 C ATOM 220 CG LYS A 14 9.722 -5.377 5.079 1.00 0.00 C ATOM 221 CD LYS A 14 9.123 -6.732 5.446 1.00 0.00 C ATOM 222 CE LYS A 14 9.674 -7.826 4.538 1.00 0.00 C ATOM 223 NZ LYS A 14 8.764 -8.985 4.493 1.00 0.00 N ATOM 0 H LYS A 14 11.141 -2.317 6.510 1.00 0.00 H new ATOM 0 HA LYS A 14 9.099 -2.823 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.540 -4.432 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.050 -4.464 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.505 -5.137 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.807 -5.403 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.350 -6.966 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.037 -6.692 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.815 -7.431 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.653 -8.142 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.310 -9.860 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.058 -8.902 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.281 -9.011 3.573 1.00 0.00 H new ATOM 237 N GLY A 15 7.272 -1.869 6.139 1.00 0.00 N ATOM 238 CA GLY A 15 6.357 -0.981 6.842 1.00 0.00 C ATOM 239 C GLY A 15 4.948 -1.574 6.849 1.00 0.00 C ATOM 240 O GLY A 15 4.643 -2.454 6.041 1.00 0.00 O ATOM 0 H GLY A 15 6.801 -2.488 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.701 -0.829 7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.346 -0.003 6.361 1.00 0.00 H new ATOM 244 N GLU A 16 4.072 -1.098 7.737 1.00 0.00 N ATOM 245 CA GLU A 16 2.697 -1.573 7.854 1.00 0.00 C ATOM 246 C GLU A 16 1.808 -0.443 8.389 1.00 0.00 C ATOM 247 O GLU A 16 1.998 0.007 9.522 1.00 0.00 O ATOM 248 CB GLU A 16 2.689 -2.792 8.798 1.00 0.00 C ATOM 249 CG GLU A 16 1.292 -3.395 8.978 1.00 0.00 C ATOM 250 CD GLU A 16 1.303 -4.594 9.927 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.548 -4.428 11.143 1.00 0.00 O ATOM 252 OE2 GLU A 16 0.992 -5.722 9.478 1.00 0.00 O ATOM 0 H GLU A 16 4.304 -0.361 8.403 1.00 0.00 H new ATOM 0 HA GLU A 16 2.303 -1.872 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.361 -3.555 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.079 -2.495 9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.615 -2.633 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.903 -3.704 8.008 1.00 0.00 H new ATOM 259 N THR A 17 0.803 -0.022 7.620 1.00 0.00 N ATOM 260 CA THR A 17 -0.147 1.043 7.962 1.00 0.00 C ATOM 261 C THR A 17 -1.550 0.646 7.461 1.00 0.00 C ATOM 262 O THR A 17 -1.744 -0.462 6.942 1.00 0.00 O ATOM 263 CB THR A 17 0.346 2.389 7.383 1.00 0.00 C ATOM 264 OG1 THR A 17 0.641 2.256 6.010 1.00 0.00 O ATOM 265 CG2 THR A 17 1.606 2.917 8.074 1.00 0.00 C ATOM 0 H THR A 17 0.619 -0.429 6.703 1.00 0.00 H new ATOM 0 HA THR A 17 -0.212 1.173 9.042 1.00 0.00 H new ATOM 0 HB THR A 17 -0.467 3.096 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.123 2.912 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.900 3.864 7.621 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.403 3.069 9.134 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.414 2.194 7.960 1.00 0.00 H new ATOM 273 N THR A 18 -2.578 1.480 7.657 1.00 0.00 N ATOM 274 CA THR A 18 -3.932 1.192 7.193 1.00 0.00 C ATOM 275 C THR A 18 -4.698 2.516 7.100 1.00 0.00 C ATOM 276 O THR A 18 -4.521 3.398 7.943 1.00 0.00 O ATOM 277 CB THR A 18 -4.577 0.148 8.137 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.914 -0.123 7.778 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.517 0.485 9.634 1.00 0.00 C ATOM 0 H THR A 18 -2.490 2.373 8.142 1.00 0.00 H new ATOM 0 HA THR A 18 -3.945 0.748 6.198 1.00 0.00 H new ATOM 0 HB THR A 18 -3.956 -0.737 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.290 -0.787 8.393 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.996 -0.310 10.205 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.476 0.579 9.944 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.036 1.426 9.816 1.00 0.00 H new ATOM 287 N THR A 19 -5.453 2.723 6.020 1.00 0.00 N ATOM 288 CA THR A 19 -6.265 3.912 5.771 1.00 0.00 C ATOM 289 C THR A 19 -7.502 3.533 4.944 1.00 0.00 C ATOM 290 O THR A 19 -7.408 2.664 4.069 1.00 0.00 O ATOM 291 CB THR A 19 -5.402 5.020 5.145 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.481 5.508 6.101 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.193 6.228 4.641 1.00 0.00 C ATOM 0 H THR A 19 -5.517 2.039 5.266 1.00 0.00 H new ATOM 0 HA THR A 19 -6.641 4.323 6.708 1.00 0.00 H new ATOM 0 HB THR A 19 -4.917 4.550 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.593 5.135 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.507 6.960 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.901 5.906 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.736 6.679 5.471 1.00 0.00 H new ATOM 301 N GLU A 20 -8.671 4.087 5.261 1.00 0.00 N ATOM 302 CA GLU A 20 -9.901 3.840 4.513 1.00 0.00 C ATOM 303 C GLU A 20 -10.052 4.958 3.481 1.00 0.00 C ATOM 304 O GLU A 20 -9.738 6.114 3.771 1.00 0.00 O ATOM 305 CB GLU A 20 -11.103 3.757 5.458 1.00 0.00 C ATOM 306 CG GLU A 20 -11.432 5.091 6.151 1.00 0.00 C ATOM 307 CD GLU A 20 -12.406 4.901 7.305 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.138 4.033 8.168 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.445 5.600 7.352 1.00 0.00 O ATOM 0 H GLU A 20 -8.791 4.724 6.049 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.854 2.881 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.975 3.424 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.906 3.001 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.513 5.545 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.859 5.783 5.425 1.00 0.00 H new ATOM 316 N ALA A 21 -10.534 4.636 2.281 1.00 0.00 N ATOM 317 CA ALA A 21 -10.718 5.614 1.216 1.00 0.00 C ATOM 318 C ALA A 21 -11.938 5.264 0.369 1.00 0.00 C ATOM 319 O ALA A 21 -12.429 4.131 0.428 1.00 0.00 O ATOM 320 CB ALA A 21 -9.456 5.672 0.352 1.00 0.00 C ATOM 0 H ALA A 21 -10.807 3.688 2.022 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.890 6.595 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.594 6.403 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.606 5.963 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.269 4.691 -0.085 1.00 0.00 H new ATOM 326 N VAL A 22 -12.371 6.203 -0.474 1.00 0.00 N ATOM 327 CA VAL A 22 -13.524 6.022 -1.347 1.00 0.00 C ATOM 328 C VAL A 22 -13.270 4.885 -2.342 1.00 0.00 C ATOM 329 O VAL A 22 -14.196 4.112 -2.609 1.00 0.00 O ATOM 330 CB VAL A 22 -13.893 7.365 -2.027 1.00 0.00 C ATOM 331 CG1 VAL A 22 -12.749 8.022 -2.815 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.108 7.217 -2.952 1.00 0.00 C ATOM 0 H VAL A 22 -11.926 7.116 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.390 5.722 -0.757 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.128 8.025 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.100 8.955 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.916 8.228 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.419 7.349 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.336 8.179 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.886 6.488 -3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.967 6.878 -2.373 1.00 0.00 H new ATOM 342 N ASP A 23 -12.051 4.745 -2.871 1.00 0.00 N ATOM 343 CA ASP A 23 -11.708 3.693 -3.822 1.00 0.00 C ATOM 344 C ASP A 23 -10.215 3.360 -3.707 1.00 0.00 C ATOM 345 O ASP A 23 -9.457 4.122 -3.095 1.00 0.00 O ATOM 346 CB ASP A 23 -12.103 4.118 -5.250 1.00 0.00 C ATOM 347 CG ASP A 23 -12.675 2.942 -6.045 1.00 0.00 C ATOM 348 OD1 ASP A 23 -12.100 1.829 -5.961 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.700 3.125 -6.740 1.00 0.00 O ATOM 0 H ASP A 23 -11.272 5.364 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.268 2.787 -3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.840 4.919 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.231 4.518 -5.767 1.00 0.00 H new ATOM 354 N ALA A 24 -9.786 2.241 -4.297 1.00 0.00 N ATOM 355 CA ALA A 24 -8.406 1.759 -4.284 1.00 0.00 C ATOM 356 C ALA A 24 -7.434 2.790 -4.838 1.00 0.00 C ATOM 357 O ALA A 24 -6.361 2.966 -4.265 1.00 0.00 O ATOM 358 CB ALA A 24 -8.286 0.453 -5.072 1.00 0.00 C ATOM 0 H ALA A 24 -10.414 1.626 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.140 1.579 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.252 0.109 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.929 -0.304 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.592 0.622 -6.105 1.00 0.00 H new ATOM 364 N ALA A 25 -7.814 3.489 -5.911 1.00 0.00 N ATOM 365 CA ALA A 25 -6.991 4.515 -6.534 1.00 0.00 C ATOM 366 C ALA A 25 -6.613 5.600 -5.520 1.00 0.00 C ATOM 367 O ALA A 25 -5.469 6.050 -5.489 1.00 0.00 O ATOM 368 CB ALA A 25 -7.767 5.128 -7.698 1.00 0.00 C ATOM 0 H ALA A 25 -8.713 3.353 -6.373 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.069 4.064 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.161 5.899 -8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.004 4.352 -8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.691 5.571 -7.326 1.00 0.00 H new ATOM 374 N THR A 26 -7.571 6.027 -4.695 1.00 0.00 N ATOM 375 CA THR A 26 -7.359 7.039 -3.674 1.00 0.00 C ATOM 376 C THR A 26 -6.388 6.491 -2.629 1.00 0.00 C ATOM 377 O THR A 26 -5.414 7.159 -2.282 1.00 0.00 O ATOM 378 CB THR A 26 -8.709 7.383 -3.027 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.710 7.548 -4.012 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.621 8.630 -2.145 1.00 0.00 C ATOM 0 H THR A 26 -8.526 5.671 -4.723 1.00 0.00 H new ATOM 0 HA THR A 26 -6.936 7.943 -4.112 1.00 0.00 H new ATOM 0 HB THR A 26 -8.980 6.544 -2.386 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.186 8.390 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.598 8.836 -1.708 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.895 8.462 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.307 9.481 -2.749 1.00 0.00 H new ATOM 388 N ALA A 27 -6.643 5.273 -2.141 1.00 0.00 N ATOM 389 CA ALA A 27 -5.812 4.626 -1.141 1.00 0.00 C ATOM 390 C ALA A 27 -4.358 4.534 -1.617 1.00 0.00 C ATOM 391 O ALA A 27 -3.431 4.918 -0.903 1.00 0.00 O ATOM 392 CB ALA A 27 -6.406 3.257 -0.798 1.00 0.00 C ATOM 0 H ALA A 27 -7.441 4.710 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.799 5.224 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.785 2.768 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.415 3.386 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.442 2.641 -1.696 1.00 0.00 H new ATOM 398 N GLU A 28 -4.175 4.071 -2.849 1.00 0.00 N ATOM 399 CA GLU A 28 -2.896 3.889 -3.510 1.00 0.00 C ATOM 400 C GLU A 28 -2.184 5.235 -3.666 1.00 0.00 C ATOM 401 O GLU A 28 -1.060 5.398 -3.202 1.00 0.00 O ATOM 402 CB GLU A 28 -3.193 3.233 -4.870 1.00 0.00 C ATOM 403 CG GLU A 28 -1.980 2.982 -5.782 1.00 0.00 C ATOM 404 CD GLU A 28 -2.221 3.442 -7.226 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.350 3.326 -7.744 1.00 0.00 O ATOM 406 OE2 GLU A 28 -1.270 3.988 -7.839 1.00 0.00 O ATOM 0 H GLU A 28 -4.960 3.799 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.228 3.254 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.689 2.279 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.901 3.864 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.113 3.504 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.742 1.918 -5.779 1.00 0.00 H new ATOM 413 N LYS A 29 -2.843 6.225 -4.278 1.00 0.00 N ATOM 414 CA LYS A 29 -2.263 7.547 -4.503 1.00 0.00 C ATOM 415 C LYS A 29 -1.856 8.229 -3.200 1.00 0.00 C ATOM 416 O LYS A 29 -0.796 8.855 -3.160 1.00 0.00 O ATOM 417 CB LYS A 29 -3.248 8.391 -5.325 1.00 0.00 C ATOM 418 CG LYS A 29 -2.615 9.684 -5.863 1.00 0.00 C ATOM 419 CD LYS A 29 -3.492 10.343 -6.936 1.00 0.00 C ATOM 420 CE LYS A 29 -4.829 10.812 -6.352 1.00 0.00 C ATOM 421 NZ LYS A 29 -5.750 11.289 -7.400 1.00 0.00 N ATOM 0 H LYS A 29 -3.795 6.129 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.338 7.437 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.619 7.798 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.109 8.643 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.460 10.382 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.634 9.462 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.964 11.193 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.674 9.635 -7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.294 9.991 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.651 11.612 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.642 11.597 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.317 12.089 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.941 10.518 -8.071 1.00 0.00 H new ATOM 435 N VAL A 30 -2.670 8.141 -2.149 1.00 0.00 N ATOM 436 CA VAL A 30 -2.348 8.759 -0.870 1.00 0.00 C ATOM 437 C VAL A 30 -1.155 8.029 -0.256 1.00 0.00 C ATOM 438 O VAL A 30 -0.131 8.667 0.000 1.00 0.00 O ATOM 439 CB VAL A 30 -3.592 8.795 0.039 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.274 9.222 1.480 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.637 9.775 -0.525 1.00 0.00 C ATOM 0 H VAL A 30 -3.561 7.644 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.055 9.800 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.976 7.775 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.191 9.227 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.565 8.520 1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.840 10.222 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.510 9.790 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.206 10.775 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.935 9.454 -1.523 1.00 0.00 H new ATOM 451 N PHE A 31 -1.230 6.704 -0.062 1.00 0.00 N ATOM 452 CA PHE A 31 -0.111 5.980 0.535 1.00 0.00 C ATOM 453 C PHE A 31 1.158 6.018 -0.311 1.00 0.00 C ATOM 454 O PHE A 31 2.227 5.724 0.226 1.00 0.00 O ATOM 455 CB PHE A 31 -0.482 4.550 0.957 1.00 0.00 C ATOM 456 CG PHE A 31 -1.023 4.415 2.373 1.00 0.00 C ATOM 457 CD1 PHE A 31 -0.391 5.062 3.458 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.108 3.559 2.630 1.00 0.00 C ATOM 459 CE1 PHE A 31 -0.853 4.878 4.769 1.00 0.00 C ATOM 460 CE2 PHE A 31 -2.547 3.345 3.949 1.00 0.00 C ATOM 461 CZ PHE A 31 -1.927 4.012 5.017 1.00 0.00 C ATOM 0 H PHE A 31 -2.036 6.128 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 31 0.123 6.525 1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.227 4.164 0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.401 3.918 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.457 5.705 3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.607 3.063 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.382 5.403 5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.364 2.665 4.141 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.276 3.858 6.027 1.00 0.00 H new ATOM 471 N LYS A 32 1.107 6.410 -1.591 1.00 0.00 N ATOM 472 CA LYS A 32 2.325 6.490 -2.390 1.00 0.00 C ATOM 473 C LYS A 32 3.262 7.541 -1.782 1.00 0.00 C ATOM 474 O LYS A 32 4.462 7.491 -2.032 1.00 0.00 O ATOM 475 CB LYS A 32 2.016 6.702 -3.882 1.00 0.00 C ATOM 476 CG LYS A 32 3.217 6.238 -4.718 1.00 0.00 C ATOM 477 CD LYS A 32 2.894 5.998 -6.197 1.00 0.00 C ATOM 478 CE LYS A 32 3.956 5.069 -6.804 1.00 0.00 C ATOM 479 NZ LYS A 32 3.617 4.643 -8.173 1.00 0.00 N ATOM 0 H LYS A 32 0.252 6.671 -2.082 1.00 0.00 H new ATOM 0 HA LYS A 32 2.852 5.537 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.124 6.143 -4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.807 7.754 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.007 6.986 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.611 5.317 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.904 5.552 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.873 6.946 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.919 5.580 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.069 4.189 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.364 4.018 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.712 4.131 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.535 5.479 -8.786 1.00 0.00 H new ATOM 493 N GLN A 33 2.735 8.496 -0.997 1.00 0.00 N ATOM 494 CA GLN A 33 3.542 9.505 -0.323 1.00 0.00 C ATOM 495 C GLN A 33 4.464 8.731 0.626 1.00 0.00 C ATOM 496 O GLN A 33 5.677 8.792 0.486 1.00 0.00 O ATOM 497 CB GLN A 33 2.657 10.471 0.490 1.00 0.00 C ATOM 498 CG GLN A 33 1.838 11.456 -0.349 1.00 0.00 C ATOM 499 CD GLN A 33 0.977 12.336 0.552 1.00 0.00 C ATOM 500 OE1 GLN A 33 -0.152 11.981 0.896 1.00 0.00 O ATOM 501 NE2 GLN A 33 1.469 13.489 0.963 1.00 0.00 N ATOM 0 H GLN A 33 1.735 8.583 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 33 4.096 10.106 -1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.974 9.885 1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.293 11.037 1.171 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.506 12.078 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.204 10.909 -1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.404 13.776 0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.914 14.093 1.569 1.00 0.00 H new ATOM 510 N TYR A 34 3.862 7.954 1.534 1.00 0.00 N ATOM 511 CA TYR A 34 4.512 7.121 2.538 1.00 0.00 C ATOM 512 C TYR A 34 5.492 6.137 1.905 1.00 0.00 C ATOM 513 O TYR A 34 6.606 6.013 2.396 1.00 0.00 O ATOM 514 CB TYR A 34 3.420 6.411 3.355 1.00 0.00 C ATOM 515 CG TYR A 34 3.778 5.107 4.046 1.00 0.00 C ATOM 516 CD1 TYR A 34 4.748 5.081 5.068 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.067 3.935 3.721 1.00 0.00 C ATOM 518 CE1 TYR A 34 4.991 3.895 5.786 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.306 2.749 4.433 1.00 0.00 C ATOM 520 CZ TYR A 34 4.262 2.725 5.469 1.00 0.00 C ATOM 521 OH TYR A 34 4.465 1.562 6.131 1.00 0.00 O ATOM 0 H TYR A 34 2.845 7.890 1.586 1.00 0.00 H new ATOM 0 HA TYR A 34 5.110 7.743 3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.068 7.107 4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.579 6.216 2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.307 5.975 5.301 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.338 3.949 2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.729 3.878 6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.756 1.853 4.187 1.00 0.00 H new ATOM 0 HH TYR A 34 3.869 0.872 5.771 1.00 0.00 H new ATOM 531 N ALA A 35 5.117 5.453 0.819 1.00 0.00 N ATOM 532 CA ALA A 35 6.008 4.497 0.168 1.00 0.00 C ATOM 533 C ALA A 35 7.309 5.184 -0.260 1.00 0.00 C ATOM 534 O ALA A 35 8.406 4.780 0.143 1.00 0.00 O ATOM 535 CB ALA A 35 5.298 3.856 -1.029 1.00 0.00 C ATOM 0 H ALA A 35 4.203 5.546 0.376 1.00 0.00 H new ATOM 0 HA ALA A 35 6.266 3.709 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.968 3.144 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.403 3.337 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.018 4.630 -1.743 1.00 0.00 H new ATOM 541 N ASN A 36 7.172 6.268 -1.027 1.00 0.00 N ATOM 542 CA ASN A 36 8.298 7.045 -1.524 1.00 0.00 C ATOM 543 C ASN A 36 9.110 7.634 -0.374 1.00 0.00 C ATOM 544 O ASN A 36 10.337 7.660 -0.418 1.00 0.00 O ATOM 545 CB ASN A 36 7.780 8.157 -2.443 1.00 0.00 C ATOM 546 CG ASN A 36 8.928 8.853 -3.154 1.00 0.00 C ATOM 547 OD1 ASN A 36 9.287 9.988 -2.839 1.00 0.00 O ATOM 548 ND2 ASN A 36 9.530 8.182 -4.115 1.00 0.00 N ATOM 0 H ASN A 36 6.265 6.631 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 36 8.958 6.387 -2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.094 7.736 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.215 8.883 -1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.313 8.602 -4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.213 7.243 -4.357 1.00 0.00 H new ATOM 555 N ASP A 37 8.437 8.118 0.666 1.00 0.00 N ATOM 556 CA ASP A 37 8.972 8.734 1.876 1.00 0.00 C ATOM 557 C ASP A 37 9.610 7.730 2.843 1.00 0.00 C ATOM 558 O ASP A 37 10.257 8.139 3.808 1.00 0.00 O ATOM 559 CB ASP A 37 7.836 9.507 2.540 1.00 0.00 C ATOM 560 CG ASP A 37 8.273 10.398 3.691 1.00 0.00 C ATOM 561 OD1 ASP A 37 9.189 11.230 3.496 1.00 0.00 O ATOM 562 OD2 ASP A 37 7.583 10.374 4.735 1.00 0.00 O ATOM 0 H ASP A 37 7.418 8.087 0.685 1.00 0.00 H new ATOM 0 HA ASP A 37 9.787 9.403 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.342 10.122 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.095 8.797 2.907 1.00 0.00 H new ATOM 567 N ASN A 38 9.444 6.427 2.605 1.00 0.00 N ATOM 568 CA ASN A 38 10.004 5.369 3.447 1.00 0.00 C ATOM 569 C ASN A 38 11.107 4.587 2.728 1.00 0.00 C ATOM 570 O ASN A 38 11.748 3.737 3.347 1.00 0.00 O ATOM 571 CB ASN A 38 8.889 4.465 3.983 1.00 0.00 C ATOM 572 CG ASN A 38 9.293 3.688 5.231 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.214 4.052 5.966 1.00 0.00 O ATOM 574 ND2 ASN A 38 8.578 2.618 5.540 1.00 0.00 N ATOM 0 H ASN A 38 8.910 6.073 1.811 1.00 0.00 H new ATOM 0 HA ASN A 38 10.486 5.836 4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.014 5.074 4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.595 3.761 3.204 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.788 2.092 6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.817 2.320 4.930 1.00 0.00 H new ATOM 581 N GLY A 39 11.365 4.875 1.446 1.00 0.00 N ATOM 582 CA GLY A 39 12.409 4.220 0.665 1.00 0.00 C ATOM 583 C GLY A 39 11.969 2.940 -0.042 1.00 0.00 C ATOM 584 O GLY A 39 12.797 2.033 -0.191 1.00 0.00 O ATOM 0 H GLY A 39 10.846 5.578 0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.780 4.922 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.244 3.986 1.325 1.00 0.00 H new ATOM 588 N VAL A 40 10.697 2.818 -0.438 1.00 0.00 N ATOM 589 CA VAL A 40 10.195 1.637 -1.135 1.00 0.00 C ATOM 590 C VAL A 40 9.505 2.082 -2.424 1.00 0.00 C ATOM 591 O VAL A 40 8.917 3.169 -2.494 1.00 0.00 O ATOM 592 CB VAL A 40 9.272 0.794 -0.224 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.862 -0.530 -0.893 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.947 0.454 1.113 1.00 0.00 C ATOM 0 H VAL A 40 9.990 3.537 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 40 11.026 0.982 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 40 8.389 1.409 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.214 -1.092 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.328 -0.319 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.753 -1.117 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.266 -0.139 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.857 -0.116 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.198 1.375 1.639 1.00 0.00 H new ATOM 604 N ASP A 41 9.583 1.242 -3.452 1.00 0.00 N ATOM 605 CA ASP A 41 8.975 1.467 -4.754 1.00 0.00 C ATOM 606 C ASP A 41 8.843 0.088 -5.384 1.00 0.00 C ATOM 607 O ASP A 41 9.826 -0.450 -5.880 1.00 0.00 O ATOM 608 CB ASP A 41 9.866 2.400 -5.583 1.00 0.00 C ATOM 609 CG ASP A 41 9.066 3.170 -6.621 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.989 3.702 -6.257 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.595 3.365 -7.738 1.00 0.00 O ATOM 0 H ASP A 41 10.088 0.358 -3.397 1.00 0.00 H new ATOM 0 HA ASP A 41 8.000 1.950 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.373 3.102 -4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.640 1.816 -6.081 1.00 0.00 H new ATOM 616 N GLY A 42 7.666 -0.529 -5.314 1.00 0.00 N ATOM 617 CA GLY A 42 7.452 -1.866 -5.849 1.00 0.00 C ATOM 618 C GLY A 42 6.120 -2.010 -6.550 1.00 0.00 C ATOM 619 O GLY A 42 5.337 -1.068 -6.623 1.00 0.00 O ATOM 0 H GLY A 42 6.838 -0.116 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.253 -2.105 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.510 -2.591 -5.037 1.00 0.00 H new ATOM 623 N GLU A 43 5.853 -3.214 -7.047 1.00 0.00 N ATOM 624 CA GLU A 43 4.636 -3.518 -7.772 1.00 0.00 C ATOM 625 C GLU A 43 3.423 -3.506 -6.833 1.00 0.00 C ATOM 626 O GLU A 43 3.213 -4.434 -6.040 1.00 0.00 O ATOM 627 CB GLU A 43 4.840 -4.849 -8.520 1.00 0.00 C ATOM 628 CG GLU A 43 3.946 -4.986 -9.754 1.00 0.00 C ATOM 629 CD GLU A 43 4.221 -3.869 -10.763 1.00 0.00 C ATOM 630 OE1 GLU A 43 5.253 -3.908 -11.486 1.00 0.00 O ATOM 631 OE2 GLU A 43 3.418 -2.910 -10.800 1.00 0.00 O ATOM 0 H GLU A 43 6.485 -4.009 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 43 4.420 -2.751 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.884 -4.932 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.639 -5.676 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.116 -5.954 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.899 -4.958 -9.453 1.00 0.00 H new ATOM 638 N TRP A 44 2.617 -2.444 -6.930 1.00 0.00 N ATOM 639 CA TRP A 44 1.409 -2.226 -6.143 1.00 0.00 C ATOM 640 C TRP A 44 0.386 -3.273 -6.560 1.00 0.00 C ATOM 641 O TRP A 44 -0.143 -3.201 -7.673 1.00 0.00 O ATOM 642 CB TRP A 44 0.859 -0.807 -6.368 1.00 0.00 C ATOM 643 CG TRP A 44 1.687 0.296 -5.785 1.00 0.00 C ATOM 644 CD1 TRP A 44 2.893 0.692 -6.245 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.425 1.124 -4.613 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.425 1.650 -5.414 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.567 1.948 -4.380 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.351 1.246 -3.706 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.655 2.807 -3.280 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.415 2.133 -2.617 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.572 2.899 -2.390 1.00 0.00 C ATOM 0 H TRP A 44 2.800 -1.685 -7.587 1.00 0.00 H new ATOM 0 HA TRP A 44 1.632 -2.320 -5.080 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.761 -0.638 -7.440 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -0.143 -0.751 -5.943 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.370 0.312 -7.136 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.338 2.084 -5.547 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.536 0.647 -3.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.547 3.394 -3.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.430 2.227 -1.951 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.628 3.556 -1.534 1.00 0.00 H new ATOM 662 N THR A 45 0.131 -4.255 -5.702 1.00 0.00 N ATOM 663 CA THR A 45 -0.815 -5.338 -5.949 1.00 0.00 C ATOM 664 C THR A 45 -1.804 -5.351 -4.776 1.00 0.00 C ATOM 665 O THR A 45 -1.461 -4.921 -3.670 1.00 0.00 O ATOM 666 CB THR A 45 -0.035 -6.650 -6.124 1.00 0.00 C ATOM 667 OG1 THR A 45 1.133 -6.456 -6.905 1.00 0.00 O ATOM 668 CG2 THR A 45 -0.837 -7.761 -6.799 1.00 0.00 C ATOM 0 H THR A 45 0.588 -4.322 -4.792 1.00 0.00 H new ATOM 0 HA THR A 45 -1.388 -5.203 -6.867 1.00 0.00 H new ATOM 0 HB THR A 45 0.207 -6.955 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.766 -5.894 -6.412 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.219 -8.654 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.719 -7.988 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.146 -7.435 -7.792 1.00 0.00 H new ATOM 676 N TYR A 46 -3.020 -5.851 -4.998 1.00 0.00 N ATOM 677 CA TYR A 46 -4.086 -5.904 -4.003 1.00 0.00 C ATOM 678 C TYR A 46 -4.696 -7.299 -3.904 1.00 0.00 C ATOM 679 O TYR A 46 -4.720 -8.038 -4.887 1.00 0.00 O ATOM 680 CB TYR A 46 -5.163 -4.863 -4.346 1.00 0.00 C ATOM 681 CG TYR A 46 -6.145 -5.341 -5.396 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.798 -5.306 -6.759 1.00 0.00 C ATOM 683 CD2 TYR A 46 -7.351 -5.945 -4.991 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.624 -5.916 -7.718 1.00 0.00 C ATOM 685 CE2 TYR A 46 -8.184 -6.550 -5.944 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.810 -6.563 -7.307 1.00 0.00 C ATOM 687 OH TYR A 46 -8.597 -7.217 -8.202 1.00 0.00 O ATOM 0 H TYR A 46 -3.296 -6.240 -5.900 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.657 -5.671 -3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.709 -4.603 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.679 -3.952 -4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.892 -4.808 -7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.634 -5.942 -3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.353 -5.890 -8.763 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.113 -7.007 -5.636 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.370 -7.602 -7.738 1.00 0.00 H new ATOM 697 N ASP A 47 -5.183 -7.649 -2.718 1.00 0.00 N ATOM 698 CA ASP A 47 -5.825 -8.914 -2.390 1.00 0.00 C ATOM 699 C ASP A 47 -7.108 -8.561 -1.646 1.00 0.00 C ATOM 700 O ASP A 47 -7.063 -8.119 -0.496 1.00 0.00 O ATOM 701 CB ASP A 47 -4.879 -9.768 -1.547 1.00 0.00 C ATOM 702 CG ASP A 47 -5.495 -11.051 -0.985 1.00 0.00 C ATOM 703 OD1 ASP A 47 -6.727 -11.237 -0.990 1.00 0.00 O ATOM 704 OD2 ASP A 47 -4.709 -11.872 -0.451 1.00 0.00 O ATOM 0 H ASP A 47 -5.137 -7.021 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.063 -9.503 -3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.014 -10.034 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.512 -9.165 -0.717 1.00 0.00 H new ATOM 709 N ASP A 48 -8.251 -8.699 -2.319 1.00 0.00 N ATOM 710 CA ASP A 48 -9.571 -8.393 -1.762 1.00 0.00 C ATOM 711 C ASP A 48 -10.053 -9.386 -0.692 1.00 0.00 C ATOM 712 O ASP A 48 -10.973 -9.049 0.064 1.00 0.00 O ATOM 713 CB ASP A 48 -10.612 -8.282 -2.890 1.00 0.00 C ATOM 714 CG ASP A 48 -11.026 -9.626 -3.482 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.833 -10.354 -2.862 1.00 0.00 O ATOM 716 OD2 ASP A 48 -10.589 -9.970 -4.605 1.00 0.00 O ATOM 0 H ASP A 48 -8.287 -9.032 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.462 -7.436 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.498 -7.777 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.207 -7.655 -3.684 1.00 0.00 H new ATOM 721 N ALA A 49 -9.488 -10.599 -0.633 1.00 0.00 N ATOM 722 CA ALA A 49 -9.858 -11.621 0.341 1.00 0.00 C ATOM 723 C ALA A 49 -9.163 -11.306 1.662 1.00 0.00 C ATOM 724 O ALA A 49 -9.818 -11.215 2.701 1.00 0.00 O ATOM 725 CB ALA A 49 -9.488 -13.024 -0.155 1.00 0.00 C ATOM 0 H ALA A 49 -8.751 -10.897 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.939 -11.612 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.777 -13.762 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.012 -13.230 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.412 -13.079 -0.323 1.00 0.00 H new ATOM 731 N THR A 50 -7.845 -11.115 1.619 1.00 0.00 N ATOM 732 CA THR A 50 -7.043 -10.791 2.797 1.00 0.00 C ATOM 733 C THR A 50 -7.194 -9.300 3.142 1.00 0.00 C ATOM 734 O THR A 50 -6.941 -8.908 4.281 1.00 0.00 O ATOM 735 CB THR A 50 -5.587 -11.193 2.531 1.00 0.00 C ATOM 736 OG1 THR A 50 -5.559 -12.528 2.065 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.690 -11.124 3.765 1.00 0.00 C ATOM 0 H THR A 50 -7.300 -11.181 0.759 1.00 0.00 H new ATOM 0 HA THR A 50 -7.391 -11.350 3.666 1.00 0.00 H new ATOM 0 HB THR A 50 -5.204 -10.480 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.268 -12.542 1.129 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.677 -11.423 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.677 -10.104 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.075 -11.796 4.532 1.00 0.00 H new ATOM 745 N LYS A 51 -7.738 -8.490 2.225 1.00 0.00 N ATOM 746 CA LYS A 51 -7.999 -7.055 2.362 1.00 0.00 C ATOM 747 C LYS A 51 -6.691 -6.320 2.620 1.00 0.00 C ATOM 748 O LYS A 51 -6.538 -5.595 3.608 1.00 0.00 O ATOM 749 CB LYS A 51 -9.131 -6.818 3.393 1.00 0.00 C ATOM 750 CG LYS A 51 -10.361 -7.667 3.021 1.00 0.00 C ATOM 751 CD LYS A 51 -11.470 -7.790 4.067 1.00 0.00 C ATOM 752 CE LYS A 51 -12.235 -9.110 3.853 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.636 -9.340 2.445 1.00 0.00 N ATOM 0 H LYS A 51 -8.025 -8.843 1.312 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.382 -6.626 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.786 -7.080 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.400 -5.762 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.798 -7.249 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.016 -8.671 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.043 -7.763 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.154 -6.945 3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.611 -9.940 4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.126 -9.110 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.204 -10.209 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.200 -8.534 2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.786 -9.439 1.854 1.00 0.00 H new ATOM 767 N THR A 52 -5.735 -6.538 1.722 1.00 0.00 N ATOM 768 CA THR A 52 -4.396 -5.973 1.770 1.00 0.00 C ATOM 769 C THR A 52 -3.972 -5.381 0.423 1.00 0.00 C ATOM 770 O THR A 52 -4.441 -5.829 -0.624 1.00 0.00 O ATOM 771 CB THR A 52 -3.440 -7.095 2.222 1.00 0.00 C ATOM 772 OG1 THR A 52 -3.659 -8.300 1.504 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.624 -7.422 3.706 1.00 0.00 C ATOM 0 H THR A 52 -5.881 -7.137 0.910 1.00 0.00 H new ATOM 0 HA THR A 52 -4.369 -5.142 2.475 1.00 0.00 H new ATOM 0 HB THR A 52 -2.435 -6.719 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.033 -8.986 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.935 -8.217 3.992 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.420 -6.533 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.649 -7.749 3.882 1.00 0.00 H new ATOM 781 N PHE A 53 -3.061 -4.411 0.459 1.00 0.00 N ATOM 782 CA PHE A 53 -2.461 -3.703 -0.662 1.00 0.00 C ATOM 783 C PHE A 53 -0.971 -3.737 -0.326 1.00 0.00 C ATOM 784 O PHE A 53 -0.536 -3.095 0.637 1.00 0.00 O ATOM 785 CB PHE A 53 -3.026 -2.280 -0.796 1.00 0.00 C ATOM 786 CG PHE A 53 -3.624 -1.973 -2.156 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.799 -1.668 -3.255 1.00 0.00 C ATOM 788 CD2 PHE A 53 -5.019 -1.952 -2.317 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.365 -1.310 -4.492 1.00 0.00 C ATOM 790 CE2 PHE A 53 -5.588 -1.598 -3.551 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.761 -1.267 -4.640 1.00 0.00 C ATOM 0 H PHE A 53 -2.695 -4.074 1.350 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.671 -4.152 -1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.791 -2.132 -0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.230 -1.564 -0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.725 -1.709 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.659 -2.210 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.726 -1.068 -5.328 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.662 -1.580 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.198 -0.981 -5.586 1.00 0.00 H new ATOM 801 N THR A 54 -0.187 -4.509 -1.070 1.00 0.00 N ATOM 802 CA THR A 54 1.238 -4.659 -0.816 1.00 0.00 C ATOM 803 C THR A 54 2.101 -4.073 -1.928 1.00 0.00 C ATOM 804 O THR A 54 1.812 -4.241 -3.116 1.00 0.00 O ATOM 805 CB THR A 54 1.556 -6.146 -0.573 1.00 0.00 C ATOM 806 OG1 THR A 54 0.645 -6.709 0.358 1.00 0.00 O ATOM 807 CG2 THR A 54 2.976 -6.357 -0.029 1.00 0.00 C ATOM 0 H THR A 54 -0.524 -5.049 -1.867 1.00 0.00 H new ATOM 0 HA THR A 54 1.486 -4.086 0.078 1.00 0.00 H new ATOM 0 HB THR A 54 1.469 -6.637 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.862 -7.654 0.498 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.152 -7.422 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.701 -5.970 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.085 -5.830 0.919 1.00 0.00 H new ATOM 815 N VAL A 55 3.149 -3.355 -1.530 1.00 0.00 N ATOM 816 CA VAL A 55 4.138 -2.752 -2.410 1.00 0.00 C ATOM 817 C VAL A 55 5.282 -3.768 -2.317 1.00 0.00 C ATOM 818 O VAL A 55 5.977 -3.782 -1.301 1.00 0.00 O ATOM 819 CB VAL A 55 4.535 -1.338 -1.924 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.473 -0.669 -2.932 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.317 -0.431 -1.713 1.00 0.00 C ATOM 0 H VAL A 55 3.337 -3.172 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 55 3.801 -2.582 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 55 5.038 -1.469 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.742 0.325 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.375 -1.271 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.971 -0.584 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.648 0.550 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.775 -0.325 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.660 -0.873 -0.964 1.00 0.00 H new ATOM 831 N THR A 56 5.407 -4.668 -3.295 1.00 0.00 N ATOM 832 CA THR A 56 6.433 -5.712 -3.332 1.00 0.00 C ATOM 833 C THR A 56 7.530 -5.249 -4.299 1.00 0.00 C ATOM 834 O THR A 56 7.317 -5.270 -5.514 1.00 0.00 O ATOM 835 CB THR A 56 5.761 -7.049 -3.722 1.00 0.00 C ATOM 836 OG1 THR A 56 4.659 -7.324 -2.872 1.00 0.00 O ATOM 837 CG2 THR A 56 6.665 -8.274 -3.632 1.00 0.00 C ATOM 0 H THR A 56 4.783 -4.691 -4.102 1.00 0.00 H new ATOM 0 HA THR A 56 6.907 -5.881 -2.365 1.00 0.00 H new ATOM 0 HB THR A 56 5.475 -6.898 -4.763 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.246 -8.173 -3.136 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.105 -9.162 -3.925 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.518 -8.147 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.020 -8.390 -2.608 1.00 0.00 H new ATOM 845 N GLU A 57 8.639 -4.715 -3.777 1.00 0.00 N ATOM 846 CA GLU A 57 9.773 -4.220 -4.559 1.00 0.00 C ATOM 847 C GLU A 57 10.772 -5.336 -4.816 1.00 0.00 C ATOM 848 O GLU A 57 11.241 -5.962 -3.845 1.00 0.00 O ATOM 849 CB GLU A 57 10.425 -3.031 -3.831 1.00 0.00 C ATOM 850 CG GLU A 57 11.628 -2.456 -4.600 1.00 0.00 C ATOM 851 CD GLU A 57 12.082 -1.071 -4.112 1.00 0.00 C ATOM 852 OE1 GLU A 57 11.868 -0.724 -2.926 1.00 0.00 O ATOM 853 OE2 GLU A 57 12.801 -0.360 -4.858 1.00 0.00 O ATOM 0 H GLU A 57 8.775 -4.613 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 57 9.418 -3.873 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.682 -2.247 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.750 -3.350 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.464 -3.150 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.372 -2.391 -5.657 1.00 0.00 H new TER 860 GLU A 57