USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 672 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 35 ASN : amide:sc= 0 X(o=-1.2,f=-1.1) USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 49 ASN : amide:sc= -1.2 K(o=-1.2,f=-2!) USER MOD Single : A 20 SER OG : rot -26:sc= 0.0319 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0.282 (180deg=0.26) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.0134 (180deg=-0.196) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0047 X(o=-0.0047,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -5.14 K(o=-5.1,f=-11!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -127:sc= -5.53! (180deg=-7.4!) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 0.116 (180deg=0.059) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.094 (180deg=-0.411) USER MOD Single : A 68 SER OG : rot 97:sc= 0.674 USER MOD Single : A 69 THR OG1 : rot -105:sc= 1.08 USER MOD Single : A 70 MET CE :methyl -147:sc= -0.418 (180deg=-1.71!) USER MOD Single : A 71 MET CE :methyl -125:sc= -3.37 (180deg=-5.97!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00569 USER MOD Single : A 75 GLN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 77 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.8!) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0866) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 78:sc= 1.26 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 144:sc= -0.105 (180deg=-1.62!) USER MOD Single : A 97 LYS NZ :NH3+ 136:sc=-0.00878 (180deg=-0.191) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 20 -4.666 -18.304 4.208 1.00 0.00 N ATOM 47 CA SER A 20 -3.598 -17.366 3.877 1.00 0.00 C ATOM 48 C SER A 20 -4.144 -16.176 3.095 1.00 0.00 C ATOM 49 O SER A 20 -3.720 -15.039 3.300 1.00 0.00 O ATOM 50 CB SER A 20 -2.508 -18.067 3.063 1.00 0.00 C ATOM 51 OG SER A 20 -3.022 -18.563 1.839 1.00 0.00 O ATOM 0 HA SER A 20 -3.168 -17.001 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.695 -17.370 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.088 -18.888 3.644 1.00 0.00 H new ATOM 0 HG SER A 20 -3.981 -18.739 1.935 1.00 0.00 H new ATOM 57 N LEU A 21 -5.088 -16.447 2.199 1.00 0.00 N ATOM 58 CA LEU A 21 -5.696 -15.399 1.383 1.00 0.00 C ATOM 59 C LEU A 21 -6.267 -14.288 2.259 1.00 0.00 C ATOM 60 O LEU A 21 -6.272 -13.119 1.872 1.00 0.00 O ATOM 61 CB LEU A 21 -6.798 -15.989 0.502 1.00 0.00 C ATOM 62 CG LEU A 21 -6.323 -17.017 -0.527 1.00 0.00 C ATOM 63 CD1 LEU A 21 -7.485 -17.881 -0.992 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.666 -16.322 -1.711 1.00 0.00 C ATOM 0 H LEU A 21 -5.449 -17.384 2.019 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.921 -14.971 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.544 -16.458 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.297 -15.175 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.583 -17.662 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.129 -18.606 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.912 -18.407 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.248 -17.250 -1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.334 -17.068 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.385 -15.653 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.808 -15.746 -1.364 1.00 0.00 H new ATOM 76 N VAL A 22 -6.752 -14.661 3.440 1.00 0.00 N ATOM 77 CA VAL A 22 -7.327 -13.696 4.370 1.00 0.00 C ATOM 78 C VAL A 22 -6.311 -12.624 4.752 1.00 0.00 C ATOM 79 O VAL A 22 -6.624 -11.433 4.758 1.00 0.00 O ATOM 80 CB VAL A 22 -7.843 -14.388 5.648 1.00 0.00 C ATOM 81 CG1 VAL A 22 -6.702 -15.063 6.393 1.00 0.00 C ATOM 82 CG2 VAL A 22 -8.563 -13.390 6.544 1.00 0.00 C ATOM 0 H VAL A 22 -6.758 -15.624 3.775 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.167 -13.224 3.859 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.557 -15.158 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.088 -15.545 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.240 -15.812 5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.958 -14.317 6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.920 -13.897 7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.875 -12.593 6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.410 -12.964 6.007 1.00 0.00 H new ATOM 92 N LYS A 23 -5.092 -13.052 5.067 1.00 0.00 N ATOM 93 CA LYS A 23 -4.031 -12.125 5.447 1.00 0.00 C ATOM 94 C LYS A 23 -3.783 -11.108 4.339 1.00 0.00 C ATOM 95 O LYS A 23 -3.651 -9.909 4.594 1.00 0.00 O ATOM 96 CB LYS A 23 -2.742 -12.889 5.754 1.00 0.00 C ATOM 97 CG LYS A 23 -2.758 -13.592 7.102 1.00 0.00 C ATOM 98 CD LYS A 23 -2.603 -12.607 8.248 1.00 0.00 C ATOM 99 CE LYS A 23 -1.627 -13.118 9.296 1.00 0.00 C ATOM 100 NZ LYS A 23 -2.089 -12.818 10.680 1.00 0.00 N ATOM 0 H LYS A 23 -4.815 -14.034 5.067 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.348 -11.592 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.572 -13.627 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.902 -12.195 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.693 -14.140 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.952 -14.325 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.254 -11.650 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.574 -12.429 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.502 -14.195 9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.649 -12.664 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.396 -13.183 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.184 -11.789 10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.010 -13.272 10.845 1.00 0.00 H new ATOM 114 N VAL A 24 -3.728 -11.597 3.106 1.00 0.00 N ATOM 115 CA VAL A 24 -3.502 -10.738 1.953 1.00 0.00 C ATOM 116 C VAL A 24 -4.561 -9.642 1.884 1.00 0.00 C ATOM 117 O VAL A 24 -4.247 -8.471 1.664 1.00 0.00 O ATOM 118 CB VAL A 24 -3.521 -11.543 0.640 1.00 0.00 C ATOM 119 CG1 VAL A 24 -3.030 -10.688 -0.517 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.680 -12.804 0.773 1.00 0.00 C ATOM 0 H VAL A 24 -3.837 -12.586 2.880 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.517 -10.287 2.074 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.549 -11.840 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.050 -11.273 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.677 -9.818 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.010 -10.359 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.706 -13.359 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.650 -12.532 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.080 -13.426 1.574 1.00 0.00 H new ATOM 130 N GLY A 25 -5.816 -10.029 2.089 1.00 0.00 N ATOM 131 CA GLY A 25 -6.899 -9.065 2.063 1.00 0.00 C ATOM 132 C GLY A 25 -6.741 -8.016 3.142 1.00 0.00 C ATOM 133 O GLY A 25 -7.039 -6.840 2.929 1.00 0.00 O ATOM 0 H GLY A 25 -6.101 -10.991 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.932 -8.581 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.850 -9.582 2.195 1.00 0.00 H new ATOM 137 N THR A 26 -6.258 -8.444 4.306 1.00 0.00 N ATOM 138 CA THR A 26 -6.044 -7.537 5.425 1.00 0.00 C ATOM 139 C THR A 26 -5.113 -6.403 5.017 1.00 0.00 C ATOM 140 O THR A 26 -5.393 -5.230 5.270 1.00 0.00 O ATOM 141 CB THR A 26 -5.458 -8.292 6.619 1.00 0.00 C ATOM 142 OG1 THR A 26 -6.031 -9.584 6.724 1.00 0.00 O ATOM 143 CG2 THR A 26 -5.672 -7.585 7.940 1.00 0.00 C ATOM 0 H THR A 26 -6.008 -9.414 4.496 1.00 0.00 H new ATOM 0 HA THR A 26 -7.006 -7.115 5.715 1.00 0.00 H new ATOM 0 HB THR A 26 -4.386 -8.349 6.427 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.643 -10.053 7.492 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.232 -8.175 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.198 -6.604 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.740 -7.466 8.120 1.00 0.00 H new ATOM 151 N LEU A 27 -4.008 -6.759 4.370 1.00 0.00 N ATOM 152 CA LEU A 27 -3.047 -5.764 3.913 1.00 0.00 C ATOM 153 C LEU A 27 -3.707 -4.811 2.929 1.00 0.00 C ATOM 154 O LEU A 27 -3.497 -3.599 2.990 1.00 0.00 O ATOM 155 CB LEU A 27 -1.834 -6.438 3.268 1.00 0.00 C ATOM 156 CG LEU A 27 -0.560 -5.590 3.244 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.201 -5.732 4.553 1.00 0.00 C ATOM 158 CD2 LEU A 27 0.320 -5.984 2.069 1.00 0.00 C ATOM 0 H LEU A 27 -3.757 -7.723 4.152 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.703 -5.196 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.626 -7.365 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.090 -6.711 2.244 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.845 -4.545 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.104 -5.122 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.429 -5.400 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.475 -6.776 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.221 -5.371 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.596 -7.035 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.225 -5.829 1.138 1.00 0.00 H new ATOM 170 N LYS A 28 -4.529 -5.358 2.036 1.00 0.00 N ATOM 171 CA LYS A 28 -5.236 -4.537 1.062 1.00 0.00 C ATOM 172 C LYS A 28 -6.012 -3.448 1.791 1.00 0.00 C ATOM 173 O LYS A 28 -6.100 -2.308 1.332 1.00 0.00 O ATOM 174 CB LYS A 28 -6.188 -5.391 0.221 1.00 0.00 C ATOM 175 CG LYS A 28 -6.827 -4.631 -0.932 1.00 0.00 C ATOM 176 CD LYS A 28 -7.566 -5.565 -1.876 1.00 0.00 C ATOM 177 CE LYS A 28 -6.785 -5.790 -3.162 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.982 -4.680 -4.134 1.00 0.00 N ATOM 0 H LYS A 28 -4.719 -6.358 1.968 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.510 -4.080 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.641 -6.246 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.974 -5.786 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.520 -3.887 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.058 -4.090 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.739 -6.521 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.544 -5.146 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.724 -5.885 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.098 -6.730 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.546 -4.933 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.000 -4.516 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.538 -3.814 -3.767 1.00 0.00 H new ATOM 192 N LYS A 29 -6.550 -3.811 2.952 1.00 0.00 N ATOM 193 CA LYS A 29 -7.294 -2.872 3.776 1.00 0.00 C ATOM 194 C LYS A 29 -6.353 -1.800 4.309 1.00 0.00 C ATOM 195 O LYS A 29 -6.708 -0.624 4.373 1.00 0.00 O ATOM 196 CB LYS A 29 -7.982 -3.599 4.934 1.00 0.00 C ATOM 197 CG LYS A 29 -9.461 -3.855 4.698 1.00 0.00 C ATOM 198 CD LYS A 29 -9.715 -5.284 4.247 1.00 0.00 C ATOM 199 CE LYS A 29 -11.166 -5.494 3.848 1.00 0.00 C ATOM 200 NZ LYS A 29 -11.515 -4.749 2.607 1.00 0.00 N ATOM 0 H LYS A 29 -6.483 -4.751 3.341 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.064 -2.400 3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.480 -4.551 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.864 -3.010 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.016 -3.658 5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.835 -3.163 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.067 -5.521 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.455 -5.972 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.350 -6.558 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.816 -5.170 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.414 -5.108 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.611 -3.737 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.764 -4.881 1.900 1.00 0.00 H new ATOM 214 N ARG A 30 -5.138 -2.214 4.673 1.00 0.00 N ATOM 215 CA ARG A 30 -4.142 -1.279 5.178 1.00 0.00 C ATOM 216 C ARG A 30 -3.785 -0.266 4.095 1.00 0.00 C ATOM 217 O ARG A 30 -3.533 0.905 4.380 1.00 0.00 O ATOM 218 CB ARG A 30 -2.888 -2.031 5.635 1.00 0.00 C ATOM 219 CG ARG A 30 -2.670 -1.991 7.140 1.00 0.00 C ATOM 220 CD ARG A 30 -3.760 -2.751 7.880 1.00 0.00 C ATOM 221 NE ARG A 30 -3.330 -3.162 9.213 1.00 0.00 N ATOM 222 CZ ARG A 30 -4.103 -3.831 10.068 1.00 0.00 C ATOM 223 NH1 ARG A 30 -5.342 -4.164 9.731 1.00 0.00 N ATOM 224 NH2 ARG A 30 -3.633 -4.167 11.262 1.00 0.00 N ATOM 0 H ARG A 30 -4.825 -3.184 4.627 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.559 -0.749 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.960 -3.070 5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.017 -1.604 5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.698 -2.421 7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.652 -0.955 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.648 -2.124 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.044 -3.631 7.303 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.383 -2.923 9.507 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.707 -3.908 8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.929 -4.676 10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.681 -3.913 11.525 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.224 -4.679 11.917 1.00 0.00 H new ATOM 238 N LEU A 31 -3.781 -0.728 2.848 1.00 0.00 N ATOM 239 CA LEU A 31 -3.473 0.134 1.716 1.00 0.00 C ATOM 240 C LEU A 31 -4.516 1.237 1.596 1.00 0.00 C ATOM 241 O LEU A 31 -4.180 2.416 1.492 1.00 0.00 O ATOM 242 CB LEU A 31 -3.420 -0.680 0.423 1.00 0.00 C ATOM 243 CG LEU A 31 -2.069 -1.335 0.125 1.00 0.00 C ATOM 244 CD1 LEU A 31 -2.107 -2.039 -1.222 1.00 0.00 C ATOM 245 CD2 LEU A 31 -0.957 -0.300 0.155 1.00 0.00 C ATOM 0 H LEU A 31 -3.988 -1.695 2.598 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.496 0.588 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.182 -1.458 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.682 -0.028 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.867 -2.078 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.139 -2.500 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.879 -2.808 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.330 -1.314 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.004 -0.784 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.152 0.466 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.916 0.162 1.142 1.00 0.00 H new ATOM 257 N ASP A 32 -5.789 0.846 1.625 1.00 0.00 N ATOM 258 CA ASP A 32 -6.882 1.806 1.533 1.00 0.00 C ATOM 259 C ASP A 32 -6.779 2.827 2.660 1.00 0.00 C ATOM 260 O ASP A 32 -7.062 4.011 2.471 1.00 0.00 O ATOM 261 CB ASP A 32 -8.231 1.086 1.600 1.00 0.00 C ATOM 262 CG ASP A 32 -8.771 0.739 0.227 1.00 0.00 C ATOM 263 OD1 ASP A 32 -8.280 -0.239 -0.375 1.00 0.00 O ATOM 264 OD2 ASP A 32 -9.686 1.446 -0.247 1.00 0.00 O ATOM 0 H ASP A 32 -6.086 -0.126 1.711 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.810 2.325 0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.124 0.173 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.951 1.717 2.121 1.00 0.00 H new ATOM 269 N LYS A 33 -6.356 2.357 3.830 1.00 0.00 N ATOM 270 CA LYS A 33 -6.195 3.223 4.990 1.00 0.00 C ATOM 271 C LYS A 33 -5.195 4.335 4.684 1.00 0.00 C ATOM 272 O LYS A 33 -5.430 5.503 4.999 1.00 0.00 O ATOM 273 CB LYS A 33 -5.726 2.403 6.198 1.00 0.00 C ATOM 274 CG LYS A 33 -5.317 3.245 7.394 1.00 0.00 C ATOM 275 CD LYS A 33 -6.480 4.072 7.919 1.00 0.00 C ATOM 276 CE LYS A 33 -5.995 5.315 8.646 1.00 0.00 C ATOM 277 NZ LYS A 33 -5.264 4.979 9.899 1.00 0.00 N ATOM 0 H LYS A 33 -6.119 1.379 3.998 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.157 3.677 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.527 1.728 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.882 1.783 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.944 2.596 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.498 3.906 7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.125 4.362 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.083 3.466 8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.342 5.888 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.847 5.952 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.951 5.855 10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.894 4.454 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.436 4.393 9.671 1.00 0.00 H new ATOM 291 N PHE A 34 -4.085 3.963 4.054 1.00 0.00 N ATOM 292 CA PHE A 34 -3.058 4.930 3.694 1.00 0.00 C ATOM 293 C PHE A 34 -3.619 5.951 2.713 1.00 0.00 C ATOM 294 O PHE A 34 -3.300 7.138 2.783 1.00 0.00 O ATOM 295 CB PHE A 34 -1.847 4.221 3.082 1.00 0.00 C ATOM 296 CG PHE A 34 -1.375 3.035 3.876 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.421 3.044 5.262 1.00 0.00 C ATOM 298 CD2 PHE A 34 -0.884 1.908 3.234 1.00 0.00 C ATOM 299 CE1 PHE A 34 -0.989 1.952 5.991 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.451 0.814 3.959 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.503 0.836 5.339 1.00 0.00 C ATOM 0 H PHE A 34 -3.876 3.002 3.784 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.737 5.448 4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.100 3.894 2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.028 4.934 2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.799 3.914 5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.840 1.885 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.032 1.972 7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.072 -0.058 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.164 -0.018 5.907 1.00 0.00 H new ATOM 311 N ASN A 35 -4.470 5.483 1.805 1.00 0.00 N ATOM 312 CA ASN A 35 -5.090 6.354 0.815 1.00 0.00 C ATOM 313 C ASN A 35 -5.882 7.460 1.501 1.00 0.00 C ATOM 314 O ASN A 35 -5.838 8.618 1.087 1.00 0.00 O ATOM 315 CB ASN A 35 -6.008 5.545 -0.107 1.00 0.00 C ATOM 316 CG ASN A 35 -5.405 5.334 -1.482 1.00 0.00 C ATOM 317 OD1 ASN A 35 -5.085 6.291 -2.187 1.00 0.00 O ATOM 318 ND2 ASN A 35 -5.247 4.074 -1.870 1.00 0.00 N ATOM 0 H ASN A 35 -4.746 4.503 1.735 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.302 6.808 0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.214 4.577 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.963 6.060 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.846 3.869 -2.785 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.526 3.311 -1.253 1.00 0.00 H new ATOM 325 N GLU A 36 -6.599 7.094 2.561 1.00 0.00 N ATOM 326 CA GLU A 36 -7.395 8.056 3.313 1.00 0.00 C ATOM 327 C GLU A 36 -6.500 9.131 3.920 1.00 0.00 C ATOM 328 O GLU A 36 -6.701 10.326 3.692 1.00 0.00 O ATOM 329 CB GLU A 36 -8.185 7.346 4.414 1.00 0.00 C ATOM 330 CG GLU A 36 -9.617 7.838 4.549 1.00 0.00 C ATOM 331 CD GLU A 36 -10.612 6.704 4.703 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.666 5.835 3.808 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.339 6.687 5.719 1.00 0.00 O ATOM 0 H GLU A 36 -6.644 6.139 2.917 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.096 8.533 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.195 6.275 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.671 7.484 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.690 8.500 5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.878 8.429 3.671 1.00 0.00 H new ATOM 340 N VAL A 37 -5.506 8.695 4.685 1.00 0.00 N ATOM 341 CA VAL A 37 -4.569 9.614 5.320 1.00 0.00 C ATOM 342 C VAL A 37 -3.910 10.511 4.279 1.00 0.00 C ATOM 343 O VAL A 37 -3.683 11.698 4.516 1.00 0.00 O ATOM 344 CB VAL A 37 -3.476 8.861 6.099 1.00 0.00 C ATOM 345 CG1 VAL A 37 -2.590 9.835 6.860 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.099 7.845 7.043 1.00 0.00 C ATOM 0 H VAL A 37 -5.328 7.710 4.881 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.141 10.222 6.021 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.852 8.325 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.824 9.282 7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.114 10.519 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.196 10.404 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.312 7.322 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.749 8.358 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.684 7.126 6.469 1.00 0.00 H new ATOM 356 N VAL A 38 -3.616 9.933 3.120 1.00 0.00 N ATOM 357 CA VAL A 38 -2.993 10.674 2.033 1.00 0.00 C ATOM 358 C VAL A 38 -4.004 11.602 1.371 1.00 0.00 C ATOM 359 O VAL A 38 -3.661 12.704 0.941 1.00 0.00 O ATOM 360 CB VAL A 38 -2.403 9.723 0.973 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.727 10.509 -0.142 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.426 8.755 1.618 1.00 0.00 C ATOM 0 H VAL A 38 -3.800 8.952 2.910 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.183 11.265 2.462 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.218 9.149 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.318 9.817 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.457 11.160 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.921 11.113 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.017 8.090 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.615 9.314 2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.944 8.166 2.375 1.00 0.00 H new ATOM 372 N SER A 39 -5.251 11.151 1.299 1.00 0.00 N ATOM 373 CA SER A 39 -6.315 11.946 0.699 1.00 0.00 C ATOM 374 C SER A 39 -6.449 13.279 1.425 1.00 0.00 C ATOM 375 O SER A 39 -6.737 14.308 0.812 1.00 0.00 O ATOM 376 CB SER A 39 -7.643 11.185 0.744 1.00 0.00 C ATOM 377 OG SER A 39 -8.276 11.188 -0.524 1.00 0.00 O ATOM 0 H SER A 39 -5.550 10.240 1.648 1.00 0.00 H new ATOM 0 HA SER A 39 -6.059 12.136 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.466 10.158 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.302 11.640 1.484 1.00 0.00 H new ATOM 0 HG SER A 39 -9.121 10.694 -0.469 1.00 0.00 H new ATOM 383 N ALA A 40 -6.229 13.251 2.735 1.00 0.00 N ATOM 384 CA ALA A 40 -6.313 14.457 3.548 1.00 0.00 C ATOM 385 C ALA A 40 -5.322 15.510 3.061 1.00 0.00 C ATOM 386 O ALA A 40 -5.573 16.710 3.169 1.00 0.00 O ATOM 387 CB ALA A 40 -6.060 14.127 5.011 1.00 0.00 C ATOM 0 H ALA A 40 -5.991 12.407 3.255 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.319 14.865 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.126 15.038 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.807 13.412 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.066 13.694 5.120 1.00 0.00 H new ATOM 393 N LEU A 41 -4.199 15.049 2.519 1.00 0.00 N ATOM 394 CA LEU A 41 -3.170 15.948 2.008 1.00 0.00 C ATOM 395 C LEU A 41 -2.979 15.753 0.506 1.00 0.00 C ATOM 396 O LEU A 41 -2.056 15.064 0.069 1.00 0.00 O ATOM 397 CB LEU A 41 -1.847 15.717 2.741 1.00 0.00 C ATOM 398 CG LEU A 41 -1.221 14.334 2.537 1.00 0.00 C ATOM 399 CD1 LEU A 41 0.058 14.440 1.718 1.00 0.00 C ATOM 400 CD2 LEU A 41 -0.944 13.669 3.878 1.00 0.00 C ATOM 0 H LEU A 41 -3.978 14.058 2.422 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.496 16.973 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.133 16.473 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.009 15.871 3.808 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.930 13.715 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.488 13.447 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.169 14.872 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.772 15.077 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.499 12.688 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.256 14.287 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.878 13.556 4.428 1.00 0.00 H new ATOM 412 N LYS A 42 -3.861 16.362 -0.279 1.00 0.00 N ATOM 413 CA LYS A 42 -3.798 16.258 -1.735 1.00 0.00 C ATOM 414 C LYS A 42 -2.393 16.560 -2.251 1.00 0.00 C ATOM 415 O LYS A 42 -1.989 16.063 -3.303 1.00 0.00 O ATOM 416 CB LYS A 42 -4.804 17.212 -2.380 1.00 0.00 C ATOM 417 CG LYS A 42 -6.199 17.117 -1.786 1.00 0.00 C ATOM 418 CD LYS A 42 -6.454 18.232 -0.784 1.00 0.00 C ATOM 419 CE LYS A 42 -7.359 17.770 0.347 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.796 17.807 -0.041 1.00 0.00 N ATOM 0 H LYS A 42 -4.630 16.935 0.068 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.050 15.233 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.442 18.235 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.858 17.002 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.940 17.167 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.322 16.151 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.505 18.578 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.910 19.082 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.088 16.755 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.202 18.404 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.380 17.485 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.062 18.780 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.951 17.182 -0.858 1.00 0.00 H new ATOM 434 N ASP A 43 -1.653 17.373 -1.505 1.00 0.00 N ATOM 435 CA ASP A 43 -0.294 17.739 -1.890 1.00 0.00 C ATOM 436 C ASP A 43 0.584 16.500 -2.028 1.00 0.00 C ATOM 437 O ASP A 43 1.088 15.970 -1.037 1.00 0.00 O ATOM 438 CB ASP A 43 0.308 18.695 -0.858 1.00 0.00 C ATOM 439 CG ASP A 43 -0.355 20.059 -0.877 1.00 0.00 C ATOM 440 OD1 ASP A 43 -0.796 20.490 -1.962 1.00 0.00 O ATOM 441 OD2 ASP A 43 -0.435 20.693 0.195 1.00 0.00 O ATOM 0 H ASP A 43 -1.971 17.791 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.337 18.239 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.210 18.260 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.374 18.810 -1.052 1.00 0.00 H new ATOM 446 N GLY A 44 0.767 16.044 -3.262 1.00 0.00 N ATOM 447 CA GLY A 44 1.586 14.871 -3.508 1.00 0.00 C ATOM 448 C GLY A 44 0.765 13.601 -3.608 1.00 0.00 C ATOM 449 O GLY A 44 1.164 12.553 -3.099 1.00 0.00 O ATOM 0 H GLY A 44 0.362 16.466 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.147 15.011 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.315 14.766 -2.705 1.00 0.00 H new ATOM 453 N LYS A 45 -0.385 13.694 -4.267 1.00 0.00 N ATOM 454 CA LYS A 45 -1.269 12.545 -4.434 1.00 0.00 C ATOM 455 C LYS A 45 -0.680 11.533 -5.418 1.00 0.00 C ATOM 456 O LYS A 45 -0.616 10.340 -5.126 1.00 0.00 O ATOM 457 CB LYS A 45 -2.648 13.005 -4.915 1.00 0.00 C ATOM 458 CG LYS A 45 -3.758 12.749 -3.908 1.00 0.00 C ATOM 459 CD LYS A 45 -4.302 11.336 -4.027 1.00 0.00 C ATOM 460 CE LYS A 45 -4.819 10.822 -2.692 1.00 0.00 C ATOM 461 NZ LYS A 45 -6.039 9.983 -2.854 1.00 0.00 N ATOM 0 H LYS A 45 -0.728 14.554 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.373 12.056 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.609 14.071 -5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.888 12.493 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.379 12.911 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.565 13.465 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.107 11.316 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.518 10.673 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.040 10.239 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.043 11.666 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.359 9.653 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.791 10.547 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.819 9.163 -3.455 1.00 0.00 H new ATOM 475 N PRO A 46 -0.249 11.996 -6.606 1.00 0.00 N ATOM 476 CA PRO A 46 0.329 11.118 -7.630 1.00 0.00 C ATOM 477 C PRO A 46 1.478 10.270 -7.096 1.00 0.00 C ATOM 478 O PRO A 46 1.599 9.092 -7.431 1.00 0.00 O ATOM 479 CB PRO A 46 0.837 12.096 -8.694 1.00 0.00 C ATOM 480 CG PRO A 46 0.003 13.316 -8.515 1.00 0.00 C ATOM 481 CD PRO A 46 -0.293 13.403 -7.044 1.00 0.00 C ATOM 0 HA PRO A 46 -0.401 10.400 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.896 12.316 -8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.725 11.683 -9.697 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.532 14.204 -8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.917 13.248 -9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.445 14.011 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.268 13.853 -6.856 1.00 0.00 H new ATOM 489 N GLU A 47 2.322 10.874 -6.263 1.00 0.00 N ATOM 490 CA GLU A 47 3.459 10.167 -5.687 1.00 0.00 C ATOM 491 C GLU A 47 2.993 8.968 -4.867 1.00 0.00 C ATOM 492 O GLU A 47 3.476 7.848 -5.048 1.00 0.00 O ATOM 493 CB GLU A 47 4.286 11.111 -4.812 1.00 0.00 C ATOM 494 CG GLU A 47 5.395 11.824 -5.568 1.00 0.00 C ATOM 495 CD GLU A 47 5.806 13.126 -4.907 1.00 0.00 C ATOM 496 OE1 GLU A 47 5.896 13.158 -3.662 1.00 0.00 O ATOM 497 OE2 GLU A 47 6.039 14.114 -5.635 1.00 0.00 O ATOM 0 H GLU A 47 2.239 11.849 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 47 4.083 9.805 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.624 11.854 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.724 10.543 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.262 11.167 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.064 12.026 -6.587 1.00 0.00 H new ATOM 504 N VAL A 48 2.046 9.211 -3.970 1.00 0.00 N ATOM 505 CA VAL A 48 1.505 8.155 -3.123 1.00 0.00 C ATOM 506 C VAL A 48 0.744 7.135 -3.954 1.00 0.00 C ATOM 507 O VAL A 48 1.038 5.944 -3.910 1.00 0.00 O ATOM 508 CB VAL A 48 0.568 8.716 -2.036 1.00 0.00 C ATOM 509 CG1 VAL A 48 0.332 7.677 -0.950 1.00 0.00 C ATOM 510 CG2 VAL A 48 1.135 10.000 -1.443 1.00 0.00 C ATOM 0 H VAL A 48 1.636 10.131 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 48 2.354 7.675 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.390 8.953 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.332 8.089 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.125 6.790 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.284 7.406 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.457 10.378 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.108 9.796 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.246 10.746 -2.230 1.00 0.00 H new ATOM 520 N ASN A 49 -0.232 7.604 -4.718 1.00 0.00 N ATOM 521 CA ASN A 49 -1.025 6.716 -5.559 1.00 0.00 C ATOM 522 C ASN A 49 -0.129 5.858 -6.448 1.00 0.00 C ATOM 523 O ASN A 49 -0.502 4.752 -6.829 1.00 0.00 O ATOM 524 CB ASN A 49 -1.992 7.528 -6.423 1.00 0.00 C ATOM 525 CG ASN A 49 -3.211 7.991 -5.648 1.00 0.00 C ATOM 526 OD1 ASN A 49 -3.569 7.405 -4.626 1.00 0.00 O ATOM 527 ND2 ASN A 49 -3.855 9.045 -6.133 1.00 0.00 N ATOM 0 H ASN A 49 -0.494 8.588 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.596 6.055 -4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.472 8.396 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.312 6.923 -7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.683 9.401 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.522 9.499 -6.983 1.00 0.00 H new ATOM 534 N ARG A 50 1.054 6.377 -6.774 1.00 0.00 N ATOM 535 CA ARG A 50 2.004 5.660 -7.624 1.00 0.00 C ATOM 536 C ARG A 50 2.637 4.478 -6.898 1.00 0.00 C ATOM 537 O ARG A 50 2.605 3.345 -7.384 1.00 0.00 O ATOM 538 CB ARG A 50 3.102 6.611 -8.104 1.00 0.00 C ATOM 539 CG ARG A 50 4.143 5.940 -8.985 1.00 0.00 C ATOM 540 CD ARG A 50 5.297 6.879 -9.296 1.00 0.00 C ATOM 541 NE ARG A 50 6.039 6.461 -10.484 1.00 0.00 N ATOM 542 CZ ARG A 50 6.877 5.427 -10.509 1.00 0.00 C ATOM 543 NH1 ARG A 50 7.081 4.703 -9.415 1.00 0.00 N ATOM 544 NH2 ARG A 50 7.510 5.115 -11.632 1.00 0.00 N ATOM 0 H ARG A 50 1.378 7.293 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 50 1.449 5.273 -8.478 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.645 7.432 -8.656 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.598 7.048 -7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.522 5.048 -8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.678 5.613 -9.915 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.913 7.888 -9.445 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.973 6.918 -8.442 1.00 0.00 H new ATOM 0 HE ARG A 50 5.907 6.993 -11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.595 4.938 -8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.724 3.912 -9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.354 5.667 -12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.152 4.323 -11.652 1.00 0.00 H new ATOM 558 N GLN A 51 3.206 4.745 -5.730 1.00 0.00 N ATOM 559 CA GLN A 51 3.843 3.699 -4.942 1.00 0.00 C ATOM 560 C GLN A 51 2.779 2.771 -4.400 1.00 0.00 C ATOM 561 O GLN A 51 2.903 1.547 -4.443 1.00 0.00 O ATOM 562 CB GLN A 51 4.656 4.306 -3.796 1.00 0.00 C ATOM 563 CG GLN A 51 6.128 4.493 -4.127 1.00 0.00 C ATOM 564 CD GLN A 51 6.879 5.239 -3.043 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.806 4.705 -2.433 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.483 6.484 -2.796 1.00 0.00 N ATOM 0 H GLN A 51 3.239 5.673 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 51 4.527 3.137 -5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.227 5.272 -3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.568 3.664 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.589 3.517 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.219 5.037 -5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.710 6.888 -3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.952 7.035 -2.077 1.00 0.00 H new ATOM 575 N ILE A 52 1.718 3.381 -3.912 1.00 0.00 N ATOM 576 CA ILE A 52 0.592 2.657 -3.377 1.00 0.00 C ATOM 577 C ILE A 52 -0.010 1.748 -4.450 1.00 0.00 C ATOM 578 O ILE A 52 -0.560 0.691 -4.142 1.00 0.00 O ATOM 579 CB ILE A 52 -0.465 3.648 -2.849 1.00 0.00 C ATOM 580 CG1 ILE A 52 0.096 4.408 -1.636 1.00 0.00 C ATOM 581 CG2 ILE A 52 -1.751 2.927 -2.498 1.00 0.00 C ATOM 582 CD1 ILE A 52 -0.936 4.756 -0.580 1.00 0.00 C ATOM 0 H ILE A 52 1.616 4.395 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 52 0.930 2.033 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.698 4.369 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.879 3.805 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.565 5.328 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.482 3.646 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.145 2.433 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.552 2.182 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.453 5.290 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.708 5.387 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.389 3.841 -0.199 1.00 0.00 H new ATOM 594 N LYS A 53 0.103 2.164 -5.713 1.00 0.00 N ATOM 595 CA LYS A 53 -0.427 1.379 -6.825 1.00 0.00 C ATOM 596 C LYS A 53 0.381 0.104 -7.041 1.00 0.00 C ATOM 597 O LYS A 53 -0.173 -0.993 -7.052 1.00 0.00 O ATOM 598 CB LYS A 53 -0.431 2.196 -8.119 1.00 0.00 C ATOM 599 CG LYS A 53 -1.814 2.353 -8.732 1.00 0.00 C ATOM 600 CD LYS A 53 -1.788 2.146 -10.240 1.00 0.00 C ATOM 601 CE LYS A 53 -2.707 1.009 -10.661 1.00 0.00 C ATOM 602 NZ LYS A 53 -2.729 0.831 -12.139 1.00 0.00 N ATOM 0 H LYS A 53 0.555 3.036 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.450 1.109 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.017 3.184 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.227 1.717 -8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.497 1.635 -8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.201 3.347 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.092 3.066 -10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.769 1.930 -10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.379 0.083 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.718 1.208 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.367 0.047 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.066 1.706 -12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.769 0.616 -12.477 1.00 0.00 H new ATOM 616 N ASN A 54 1.694 0.249 -7.224 1.00 0.00 N ATOM 617 CA ASN A 54 2.549 -0.912 -7.454 1.00 0.00 C ATOM 618 C ASN A 54 2.485 -1.876 -6.277 1.00 0.00 C ATOM 619 O ASN A 54 2.708 -3.076 -6.438 1.00 0.00 O ATOM 620 CB ASN A 54 3.996 -0.492 -7.732 1.00 0.00 C ATOM 621 CG ASN A 54 4.602 0.343 -6.623 1.00 0.00 C ATOM 622 OD1 ASN A 54 4.489 0.009 -5.445 1.00 0.00 O ATOM 623 ND2 ASN A 54 5.258 1.434 -7.003 1.00 0.00 N ATOM 0 H ASN A 54 2.181 1.145 -7.218 1.00 0.00 H new ATOM 0 HA ASN A 54 2.175 -1.427 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.604 -1.385 -7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.030 0.074 -8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.695 2.036 -6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.325 1.670 -7.993 1.00 0.00 H new ATOM 630 N LEU A 55 2.166 -1.355 -5.098 1.00 0.00 N ATOM 631 CA LEU A 55 2.058 -2.193 -3.911 1.00 0.00 C ATOM 632 C LEU A 55 0.718 -2.910 -3.895 1.00 0.00 C ATOM 633 O LEU A 55 0.638 -4.086 -3.540 1.00 0.00 O ATOM 634 CB LEU A 55 2.235 -1.359 -2.640 1.00 0.00 C ATOM 635 CG LEU A 55 3.659 -0.865 -2.382 1.00 0.00 C ATOM 636 CD1 LEU A 55 3.642 0.384 -1.514 1.00 0.00 C ATOM 637 CD2 LEU A 55 4.491 -1.959 -1.729 1.00 0.00 C ATOM 0 H LEU A 55 1.979 -0.365 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 55 2.853 -2.938 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.572 -0.496 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.913 -1.954 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 55 4.115 -0.611 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.664 0.721 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.081 1.170 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.168 0.157 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.502 -1.591 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.037 -2.244 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.531 -2.827 -2.387 1.00 0.00 H new ATOM 649 N GLU A 56 -0.332 -2.209 -4.310 1.00 0.00 N ATOM 650 CA GLU A 56 -1.654 -2.801 -4.372 1.00 0.00 C ATOM 651 C GLU A 56 -1.624 -3.949 -5.376 1.00 0.00 C ATOM 652 O GLU A 56 -2.254 -4.988 -5.179 1.00 0.00 O ATOM 653 CB GLU A 56 -2.693 -1.736 -4.757 1.00 0.00 C ATOM 654 CG GLU A 56 -3.719 -2.190 -5.783 1.00 0.00 C ATOM 655 CD GLU A 56 -5.043 -1.463 -5.648 1.00 0.00 C ATOM 656 OE1 GLU A 56 -5.159 -0.339 -6.181 1.00 0.00 O ATOM 657 OE2 GLU A 56 -5.961 -2.017 -5.008 1.00 0.00 O ATOM 0 H GLU A 56 -0.289 -1.234 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.942 -3.194 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.217 -1.417 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.170 -0.863 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.321 -2.028 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.885 -3.262 -5.675 1.00 0.00 H new ATOM 664 N ILE A 57 -0.854 -3.751 -6.441 1.00 0.00 N ATOM 665 CA ILE A 57 -0.692 -4.758 -7.473 1.00 0.00 C ATOM 666 C ILE A 57 0.114 -5.929 -6.933 1.00 0.00 C ATOM 667 O ILE A 57 -0.182 -7.088 -7.224 1.00 0.00 O ATOM 668 CB ILE A 57 0.028 -4.176 -8.701 1.00 0.00 C ATOM 669 CG1 ILE A 57 -0.680 -2.911 -9.172 1.00 0.00 C ATOM 670 CG2 ILE A 57 0.096 -5.203 -9.820 1.00 0.00 C ATOM 671 CD1 ILE A 57 0.249 -1.902 -9.803 1.00 0.00 C ATOM 0 H ILE A 57 -0.330 -2.892 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.684 -5.096 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 57 1.049 -3.919 -8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.452 -3.183 -9.892 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.184 -2.448 -8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.609 -4.771 -10.679 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.642 -6.081 -9.475 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.914 -5.494 -10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.322 -1.027 -10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.006 -1.602 -9.079 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.734 -2.347 -10.672 1.00 0.00 H new ATOM 683 N SER A 58 1.129 -5.614 -6.133 1.00 0.00 N ATOM 684 CA SER A 58 1.972 -6.646 -5.539 1.00 0.00 C ATOM 685 C SER A 58 1.120 -7.615 -4.723 1.00 0.00 C ATOM 686 O SER A 58 1.257 -8.834 -4.839 1.00 0.00 O ATOM 687 CB SER A 58 3.046 -6.013 -4.651 1.00 0.00 C ATOM 688 OG SER A 58 4.337 -6.483 -4.996 1.00 0.00 O ATOM 0 H SER A 58 1.386 -4.659 -5.883 1.00 0.00 H new ATOM 0 HA SER A 58 2.464 -7.197 -6.341 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.012 -4.928 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.840 -6.243 -3.606 1.00 0.00 H new ATOM 0 HG SER A 58 5.004 -6.062 -4.415 1.00 0.00 H new ATOM 694 N ILE A 59 0.222 -7.059 -3.914 1.00 0.00 N ATOM 695 CA ILE A 59 -0.670 -7.868 -3.094 1.00 0.00 C ATOM 696 C ILE A 59 -1.554 -8.739 -3.982 1.00 0.00 C ATOM 697 O ILE A 59 -1.641 -9.955 -3.794 1.00 0.00 O ATOM 698 CB ILE A 59 -1.562 -6.987 -2.196 1.00 0.00 C ATOM 699 CG1 ILE A 59 -0.702 -6.053 -1.344 1.00 0.00 C ATOM 700 CG2 ILE A 59 -2.449 -7.851 -1.312 1.00 0.00 C ATOM 701 CD1 ILE A 59 -1.501 -4.988 -0.624 1.00 0.00 C ATOM 0 H ILE A 59 0.094 -6.052 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.051 -8.499 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.203 -6.380 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.155 -6.644 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.039 -5.571 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.071 -7.212 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.086 -8.477 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.826 -8.484 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.828 -4.361 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.027 -4.372 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.224 -5.462 0.040 1.00 0.00 H new ATOM 713 N ASP A 60 -2.198 -8.106 -4.957 1.00 0.00 N ATOM 714 CA ASP A 60 -3.063 -8.820 -5.886 1.00 0.00 C ATOM 715 C ASP A 60 -2.269 -9.892 -6.622 1.00 0.00 C ATOM 716 O ASP A 60 -2.792 -10.961 -6.935 1.00 0.00 O ATOM 717 CB ASP A 60 -3.691 -7.848 -6.888 1.00 0.00 C ATOM 718 CG ASP A 60 -5.052 -7.352 -6.435 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.980 -8.180 -6.329 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.189 -6.135 -6.187 1.00 0.00 O ATOM 0 H ASP A 60 -2.137 -7.102 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.862 -9.298 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.026 -6.997 -7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.790 -8.341 -7.855 1.00 0.00 H new ATOM 725 N ALA A 61 -0.995 -9.603 -6.878 1.00 0.00 N ATOM 726 CA ALA A 61 -0.122 -10.552 -7.556 1.00 0.00 C ATOM 727 C ALA A 61 -0.072 -11.858 -6.776 1.00 0.00 C ATOM 728 O ALA A 61 -0.268 -12.941 -7.333 1.00 0.00 O ATOM 729 CB ALA A 61 1.274 -9.969 -7.721 1.00 0.00 C ATOM 0 H ALA A 61 -0.548 -8.722 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.523 -10.754 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.912 -10.692 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.219 -9.055 -8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.692 -9.742 -6.740 1.00 0.00 H new ATOM 735 N LEU A 62 0.169 -11.747 -5.472 1.00 0.00 N ATOM 736 CA LEU A 62 0.220 -12.914 -4.610 1.00 0.00 C ATOM 737 C LEU A 62 -1.066 -13.712 -4.735 1.00 0.00 C ATOM 738 O LEU A 62 -1.032 -14.914 -4.982 1.00 0.00 O ATOM 739 CB LEU A 62 0.428 -12.491 -3.155 1.00 0.00 C ATOM 740 CG LEU A 62 1.851 -12.054 -2.818 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.914 -10.550 -2.597 1.00 0.00 C ATOM 742 CD2 LEU A 62 2.367 -12.799 -1.596 1.00 0.00 C ATOM 0 H LEU A 62 0.331 -10.860 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 62 1.059 -13.538 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.253 -11.671 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.154 -13.323 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 62 2.492 -12.301 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.937 -10.260 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.593 -10.035 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.257 -10.276 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.383 -12.473 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.723 -12.588 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.366 -13.871 -1.796 1.00 0.00 H new ATOM 754 N MET A 63 -2.202 -13.029 -4.578 1.00 0.00 N ATOM 755 CA MET A 63 -3.511 -13.674 -4.677 1.00 0.00 C ATOM 756 C MET A 63 -3.574 -14.598 -5.889 1.00 0.00 C ATOM 757 O MET A 63 -3.877 -15.785 -5.760 1.00 0.00 O ATOM 758 CB MET A 63 -4.615 -12.620 -4.774 1.00 0.00 C ATOM 759 CG MET A 63 -5.996 -13.154 -4.423 1.00 0.00 C ATOM 760 SD MET A 63 -6.762 -12.267 -3.053 1.00 0.00 S ATOM 761 CE MET A 63 -5.401 -12.189 -1.893 1.00 0.00 C ATOM 0 H MET A 63 -2.241 -12.029 -4.382 1.00 0.00 H new ATOM 0 HA MET A 63 -3.661 -14.271 -3.777 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.375 -11.791 -4.108 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.636 -12.219 -5.787 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.640 -13.085 -5.299 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.917 -14.211 -4.167 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.722 -12.582 -0.928 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.569 -12.784 -2.268 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.082 -11.153 -1.775 1.00 0.00 H new ATOM 771 N ALA A 64 -3.274 -14.053 -7.060 1.00 0.00 N ATOM 772 CA ALA A 64 -3.286 -14.839 -8.284 1.00 0.00 C ATOM 773 C ALA A 64 -2.267 -15.971 -8.206 1.00 0.00 C ATOM 774 O ALA A 64 -2.413 -16.999 -8.868 1.00 0.00 O ATOM 775 CB ALA A 64 -3.001 -13.950 -9.486 1.00 0.00 C ATOM 0 H ALA A 64 -3.020 -13.073 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.277 -15.277 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.013 -14.552 -10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.764 -13.175 -9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.021 -13.486 -9.371 1.00 0.00 H new ATOM 781 N LYS A 65 -1.238 -15.780 -7.382 1.00 0.00 N ATOM 782 CA LYS A 65 -0.201 -16.786 -7.206 1.00 0.00 C ATOM 783 C LYS A 65 -0.652 -17.848 -6.212 1.00 0.00 C ATOM 784 O LYS A 65 -0.240 -19.004 -6.287 1.00 0.00 O ATOM 785 CB LYS A 65 1.101 -16.139 -6.725 1.00 0.00 C ATOM 786 CG LYS A 65 1.817 -15.338 -7.801 1.00 0.00 C ATOM 787 CD LYS A 65 3.215 -14.936 -7.358 1.00 0.00 C ATOM 788 CE LYS A 65 3.179 -14.090 -6.095 1.00 0.00 C ATOM 789 NZ LYS A 65 4.546 -13.727 -5.628 1.00 0.00 N ATOM 0 H LYS A 65 -1.103 -14.935 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.020 -17.261 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.881 -15.484 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.770 -16.918 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.879 -15.929 -8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.238 -14.445 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.813 -15.830 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.704 -14.378 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.607 -13.181 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.660 -14.636 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.505 -13.426 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.173 -14.552 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.916 -12.949 -6.210 1.00 0.00 H new ATOM 803 N ILE A 66 -1.499 -17.442 -5.274 1.00 0.00 N ATOM 804 CA ILE A 66 -2.000 -18.355 -4.255 1.00 0.00 C ATOM 805 C ILE A 66 -2.971 -19.363 -4.857 1.00 0.00 C ATOM 806 O ILE A 66 -3.009 -20.525 -4.450 1.00 0.00 O ATOM 807 CB ILE A 66 -2.711 -17.616 -3.101 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.147 -16.210 -2.914 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.578 -18.407 -1.815 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.657 -16.171 -2.641 1.00 0.00 C ATOM 0 H ILE A 66 -1.853 -16.488 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.127 -18.869 -3.853 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.766 -17.525 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.357 -15.624 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.669 -15.728 -2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.083 -17.877 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.032 -19.390 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.523 -18.525 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.336 -15.136 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.440 -16.727 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.122 -16.622 -3.477 1.00 0.00 H new ATOM 822 N LYS A 67 -3.764 -18.906 -5.820 1.00 0.00 N ATOM 823 CA LYS A 67 -4.748 -19.762 -6.472 1.00 0.00 C ATOM 824 C LYS A 67 -4.205 -20.375 -7.765 1.00 0.00 C ATOM 825 O LYS A 67 -4.920 -21.105 -8.452 1.00 0.00 O ATOM 826 CB LYS A 67 -6.019 -18.967 -6.772 1.00 0.00 C ATOM 827 CG LYS A 67 -6.808 -18.590 -5.528 1.00 0.00 C ATOM 828 CD LYS A 67 -7.427 -19.813 -4.871 1.00 0.00 C ATOM 829 CE LYS A 67 -8.457 -20.470 -5.776 1.00 0.00 C ATOM 830 NZ LYS A 67 -9.497 -19.504 -6.226 1.00 0.00 N ATOM 0 H LYS A 67 -3.744 -17.947 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.977 -20.578 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.751 -18.059 -7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.657 -19.553 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.152 -18.087 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.593 -17.882 -5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.645 -20.531 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.898 -19.524 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.957 -20.896 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.933 -21.295 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.321 -20.025 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.789 -18.910 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.108 -18.902 -6.979 1.00 0.00 H new ATOM 844 N SER A 68 -2.951 -20.082 -8.100 1.00 0.00 N ATOM 845 CA SER A 68 -2.353 -20.621 -9.317 1.00 0.00 C ATOM 846 C SER A 68 -0.951 -21.169 -9.068 1.00 0.00 C ATOM 847 O SER A 68 -0.157 -21.314 -9.997 1.00 0.00 O ATOM 848 CB SER A 68 -2.309 -19.549 -10.408 1.00 0.00 C ATOM 849 OG SER A 68 -3.563 -18.903 -10.540 1.00 0.00 O ATOM 0 H SER A 68 -2.335 -19.481 -7.552 1.00 0.00 H new ATOM 0 HA SER A 68 -2.980 -21.449 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.541 -18.813 -10.168 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.029 -20.004 -11.358 1.00 0.00 H new ATOM 0 HG SER A 68 -3.554 -18.064 -10.033 1.00 0.00 H new ATOM 855 N THR A 69 -0.661 -21.485 -7.813 1.00 0.00 N ATOM 856 CA THR A 69 0.642 -22.034 -7.437 1.00 0.00 C ATOM 857 C THR A 69 0.555 -22.747 -6.090 1.00 0.00 C ATOM 858 O THR A 69 -0.536 -22.997 -5.578 1.00 0.00 O ATOM 859 CB THR A 69 1.718 -20.937 -7.372 1.00 0.00 C ATOM 860 OG1 THR A 69 1.754 -20.340 -6.088 1.00 0.00 O ATOM 861 CG2 THR A 69 1.536 -19.827 -8.388 1.00 0.00 C ATOM 0 H THR A 69 -1.310 -21.372 -7.034 1.00 0.00 H new ATOM 0 HA THR A 69 0.928 -22.751 -8.207 1.00 0.00 H new ATOM 0 HB THR A 69 2.650 -21.454 -7.600 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.342 -19.452 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.336 -19.095 -8.275 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.567 -20.246 -9.394 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.574 -19.341 -8.227 1.00 0.00 H new ATOM 869 N MET A 70 1.713 -23.064 -5.520 1.00 0.00 N ATOM 870 CA MET A 70 1.772 -23.739 -4.230 1.00 0.00 C ATOM 871 C MET A 70 2.637 -22.949 -3.253 1.00 0.00 C ATOM 872 O MET A 70 3.315 -23.523 -2.402 1.00 0.00 O ATOM 873 CB MET A 70 2.328 -25.155 -4.394 1.00 0.00 C ATOM 874 CG MET A 70 1.299 -26.162 -4.881 1.00 0.00 C ATOM 875 SD MET A 70 1.997 -27.380 -6.010 1.00 0.00 S ATOM 876 CE MET A 70 2.662 -26.315 -7.289 1.00 0.00 C ATOM 0 H MET A 70 2.624 -22.864 -5.932 1.00 0.00 H new ATOM 0 HA MET A 70 0.760 -23.802 -3.830 1.00 0.00 H new ATOM 0 HB2 MET A 70 3.160 -25.130 -5.097 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.729 -25.492 -3.438 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.865 -26.675 -4.023 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.487 -25.633 -5.380 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.588 -26.816 -8.254 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.095 -25.384 -7.319 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.708 -26.096 -7.073 1.00 0.00 H new ATOM 886 N MET A 71 2.609 -21.627 -3.389 1.00 0.00 N ATOM 887 CA MET A 71 3.390 -20.750 -2.526 1.00 0.00 C ATOM 888 C MET A 71 3.029 -20.960 -1.059 1.00 0.00 C ATOM 889 O MET A 71 1.867 -20.835 -0.671 1.00 0.00 O ATOM 890 CB MET A 71 3.165 -19.287 -2.914 1.00 0.00 C ATOM 891 CG MET A 71 4.190 -18.756 -3.903 1.00 0.00 C ATOM 892 SD MET A 71 4.295 -16.956 -3.894 1.00 0.00 S ATOM 893 CE MET A 71 5.579 -16.698 -2.673 1.00 0.00 C ATOM 0 H MET A 71 2.052 -21.139 -4.091 1.00 0.00 H new ATOM 0 HA MET A 71 4.443 -20.998 -2.659 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.169 -19.183 -3.344 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.189 -18.673 -2.014 1.00 0.00 H new ATOM 0 HG2 MET A 71 5.168 -19.174 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.932 -19.096 -4.906 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.211 -16.032 -1.893 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.859 -17.654 -2.231 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.451 -16.250 -3.151 1.00 0.00 H new ATOM 903 N THR A 72 4.033 -21.276 -0.249 1.00 0.00 N ATOM 904 CA THR A 72 3.824 -21.500 1.176 1.00 0.00 C ATOM 905 C THR A 72 3.431 -20.204 1.874 1.00 0.00 C ATOM 906 O THR A 72 3.897 -19.124 1.507 1.00 0.00 O ATOM 907 CB THR A 72 5.091 -22.070 1.814 1.00 0.00 C ATOM 908 OG1 THR A 72 5.700 -23.020 0.957 1.00 0.00 O ATOM 909 CG2 THR A 72 4.839 -22.746 3.144 1.00 0.00 C ATOM 0 H THR A 72 5.000 -21.383 -0.555 1.00 0.00 H new ATOM 0 HA THR A 72 3.012 -22.218 1.292 1.00 0.00 H new ATOM 0 HB THR A 72 5.743 -21.212 1.979 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.510 -23.372 1.382 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.779 -23.128 3.542 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.415 -22.026 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.141 -23.572 3.006 1.00 0.00 H new ATOM 917 N ARG A 73 2.575 -20.314 2.884 1.00 0.00 N ATOM 918 CA ARG A 73 2.126 -19.148 3.635 1.00 0.00 C ATOM 919 C ARG A 73 3.317 -18.372 4.186 1.00 0.00 C ATOM 920 O ARG A 73 3.263 -17.150 4.331 1.00 0.00 O ATOM 921 CB ARG A 73 1.204 -19.574 4.777 1.00 0.00 C ATOM 922 CG ARG A 73 1.793 -20.667 5.656 1.00 0.00 C ATOM 923 CD ARG A 73 0.894 -20.983 6.841 1.00 0.00 C ATOM 924 NE ARG A 73 -0.477 -21.276 6.430 1.00 0.00 N ATOM 925 CZ ARG A 73 -1.251 -22.196 7.008 1.00 0.00 C ATOM 926 NH1 ARG A 73 -0.801 -22.912 8.031 1.00 0.00 N ATOM 927 NH2 ARG A 73 -2.483 -22.396 6.560 1.00 0.00 N ATOM 0 H ARG A 73 2.178 -21.199 3.201 1.00 0.00 H new ATOM 0 HA ARG A 73 1.572 -18.498 2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.978 -18.705 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.260 -19.923 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.943 -21.569 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.773 -20.355 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.299 -21.837 7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.893 -20.138 7.529 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.867 -20.744 5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.145 -22.761 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.401 -23.613 8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.836 -21.847 5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.078 -23.099 6.999 1.00 0.00 H new ATOM 941 N GLU A 74 4.397 -19.089 4.484 1.00 0.00 N ATOM 942 CA GLU A 74 5.606 -18.467 5.009 1.00 0.00 C ATOM 943 C GLU A 74 6.136 -17.428 4.027 1.00 0.00 C ATOM 944 O GLU A 74 6.486 -16.313 4.414 1.00 0.00 O ATOM 945 CB GLU A 74 6.677 -19.524 5.281 1.00 0.00 C ATOM 946 CG GLU A 74 7.557 -19.205 6.477 1.00 0.00 C ATOM 947 CD GLU A 74 6.775 -19.139 7.775 1.00 0.00 C ATOM 948 OE1 GLU A 74 6.092 -20.130 8.107 1.00 0.00 O ATOM 949 OE2 GLU A 74 6.846 -18.096 8.459 1.00 0.00 O ATOM 0 H GLU A 74 4.458 -20.101 4.370 1.00 0.00 H new ATOM 0 HA GLU A 74 5.358 -17.971 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.192 -20.487 5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.305 -19.629 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.335 -19.964 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.059 -18.252 6.310 1.00 0.00 H new ATOM 956 N GLN A 75 6.179 -17.801 2.752 1.00 0.00 N ATOM 957 CA GLN A 75 6.652 -16.898 1.709 1.00 0.00 C ATOM 958 C GLN A 75 5.781 -15.648 1.664 1.00 0.00 C ATOM 959 O GLN A 75 6.263 -14.548 1.390 1.00 0.00 O ATOM 960 CB GLN A 75 6.639 -17.600 0.350 1.00 0.00 C ATOM 961 CG GLN A 75 7.925 -17.419 -0.439 1.00 0.00 C ATOM 962 CD GLN A 75 8.922 -18.535 -0.194 1.00 0.00 C ATOM 963 OE1 GLN A 75 9.223 -19.323 -1.091 1.00 0.00 O ATOM 964 NE2 GLN A 75 9.439 -18.609 1.026 1.00 0.00 N ATOM 0 H GLN A 75 5.893 -18.721 2.417 1.00 0.00 H new ATOM 0 HA GLN A 75 7.677 -16.606 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.462 -18.665 0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.804 -17.219 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.691 -17.373 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.380 -16.465 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.161 -17.935 1.739 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.114 -19.340 1.250 1.00 0.00 H new ATOM 973 N ILE A 76 4.495 -15.827 1.951 1.00 0.00 N ATOM 974 CA ILE A 76 3.552 -14.718 1.960 1.00 0.00 C ATOM 975 C ILE A 76 3.781 -13.835 3.181 1.00 0.00 C ATOM 976 O ILE A 76 3.611 -12.617 3.122 1.00 0.00 O ATOM 977 CB ILE A 76 2.094 -15.216 1.969 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.878 -16.267 0.876 1.00 0.00 C ATOM 979 CG2 ILE A 76 1.133 -14.048 1.790 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.948 -15.708 -0.529 1.00 0.00 C ATOM 0 H ILE A 76 4.083 -16.732 2.180 1.00 0.00 H new ATOM 0 HA ILE A 76 3.721 -14.143 1.049 1.00 0.00 H new ATOM 0 HB ILE A 76 1.893 -15.682 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.629 -17.050 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.905 -16.736 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.107 -14.416 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.270 -13.336 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.333 -13.554 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.786 -16.511 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.179 -14.946 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.930 -15.264 -0.696 1.00 0.00 H new ATOM 992 N GLN A 77 4.177 -14.463 4.284 1.00 0.00 N ATOM 993 CA GLN A 77 4.440 -13.741 5.522 1.00 0.00 C ATOM 994 C GLN A 77 5.566 -12.733 5.325 1.00 0.00 C ATOM 995 O GLN A 77 5.459 -11.576 5.734 1.00 0.00 O ATOM 996 CB GLN A 77 4.802 -14.722 6.641 1.00 0.00 C ATOM 997 CG GLN A 77 3.970 -14.545 7.901 1.00 0.00 C ATOM 998 CD GLN A 77 2.479 -14.642 7.634 1.00 0.00 C ATOM 999 OE1 GLN A 77 2.049 -14.764 6.487 1.00 0.00 O ATOM 1000 NE2 GLN A 77 1.683 -14.587 8.695 1.00 0.00 N ATOM 0 H GLN A 77 4.323 -15.471 4.345 1.00 0.00 H new ATOM 0 HA GLN A 77 3.536 -13.201 5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.677 -15.741 6.274 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.856 -14.601 6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.255 -15.304 8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.193 -13.576 8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.083 -14.485 9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.672 -14.646 8.577 1.00 0.00 H new ATOM 1009 N LYS A 78 6.645 -13.175 4.687 1.00 0.00 N ATOM 1010 CA LYS A 78 7.784 -12.305 4.430 1.00 0.00 C ATOM 1011 C LYS A 78 7.401 -11.201 3.456 1.00 0.00 C ATOM 1012 O LYS A 78 7.660 -10.025 3.709 1.00 0.00 O ATOM 1013 CB LYS A 78 8.967 -13.107 3.885 1.00 0.00 C ATOM 1014 CG LYS A 78 9.902 -13.624 4.964 1.00 0.00 C ATOM 1015 CD LYS A 78 9.290 -14.797 5.716 1.00 0.00 C ATOM 1016 CE LYS A 78 10.329 -15.863 6.025 1.00 0.00 C ATOM 1017 NZ LYS A 78 10.119 -16.469 7.370 1.00 0.00 N ATOM 0 H LYS A 78 6.753 -14.128 4.340 1.00 0.00 H new ATOM 0 HA LYS A 78 8.084 -11.849 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.588 -13.952 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.533 -12.480 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.845 -13.932 4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.131 -12.821 5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.844 -14.442 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.486 -15.232 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.286 -16.643 5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.325 -15.424 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.735 -17.300 7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.350 -15.771 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.125 -16.759 7.469 1.00 0.00 H new ATOM 1031 N GLU A 79 6.762 -11.576 2.352 1.00 0.00 N ATOM 1032 CA GLU A 79 6.331 -10.591 1.372 1.00 0.00 C ATOM 1033 C GLU A 79 5.439 -9.570 2.056 1.00 0.00 C ATOM 1034 O GLU A 79 5.473 -8.382 1.738 1.00 0.00 O ATOM 1035 CB GLU A 79 5.588 -11.261 0.215 1.00 0.00 C ATOM 1036 CG GLU A 79 6.504 -11.974 -0.767 1.00 0.00 C ATOM 1037 CD GLU A 79 6.061 -11.802 -2.207 1.00 0.00 C ATOM 1038 OE1 GLU A 79 6.322 -10.724 -2.783 1.00 0.00 O ATOM 1039 OE2 GLU A 79 5.456 -12.744 -2.758 1.00 0.00 O ATOM 0 H GLU A 79 6.535 -12.542 2.117 1.00 0.00 H new ATOM 0 HA GLU A 79 7.207 -10.092 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.875 -11.979 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.012 -10.507 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.519 -11.592 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.534 -13.036 -0.524 1.00 0.00 H new ATOM 1046 N TYR A 80 4.674 -10.040 3.037 1.00 0.00 N ATOM 1047 CA TYR A 80 3.814 -9.164 3.806 1.00 0.00 C ATOM 1048 C TYR A 80 4.688 -8.184 4.572 1.00 0.00 C ATOM 1049 O TYR A 80 4.349 -7.010 4.719 1.00 0.00 O ATOM 1050 CB TYR A 80 2.942 -9.970 4.772 1.00 0.00 C ATOM 1051 CG TYR A 80 1.927 -9.133 5.518 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.326 -8.224 6.487 1.00 0.00 C ATOM 1053 CD2 TYR A 80 0.569 -9.257 5.250 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.399 -7.460 7.172 1.00 0.00 C ATOM 1055 CE2 TYR A 80 -0.363 -8.496 5.930 1.00 0.00 C ATOM 1056 CZ TYR A 80 0.057 -7.599 6.889 1.00 0.00 C ATOM 1057 OH TYR A 80 -0.869 -6.840 7.568 1.00 0.00 O ATOM 0 H TYR A 80 4.636 -11.021 3.313 1.00 0.00 H new ATOM 0 HA TYR A 80 3.148 -8.623 3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.419 -10.747 4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.585 -10.474 5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.377 -8.111 6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.237 -9.959 4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.725 -6.758 7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.415 -8.603 5.711 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.769 -7.059 7.248 1.00 0.00 H new ATOM 1067 N ASP A 81 5.840 -8.677 5.036 1.00 0.00 N ATOM 1068 CA ASP A 81 6.784 -7.840 5.758 1.00 0.00 C ATOM 1069 C ASP A 81 7.419 -6.834 4.808 1.00 0.00 C ATOM 1070 O ASP A 81 7.646 -5.682 5.175 1.00 0.00 O ATOM 1071 CB ASP A 81 7.863 -8.698 6.424 1.00 0.00 C ATOM 1072 CG ASP A 81 7.983 -8.425 7.910 1.00 0.00 C ATOM 1073 OD1 ASP A 81 7.861 -7.248 8.309 1.00 0.00 O ATOM 1074 OD2 ASP A 81 8.200 -9.388 8.674 1.00 0.00 O ATOM 0 H ASP A 81 6.134 -9.647 4.922 1.00 0.00 H new ATOM 0 HA ASP A 81 6.247 -7.300 6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.633 -9.752 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.823 -8.507 5.944 1.00 0.00 H new ATOM 1079 N ALA A 82 7.686 -7.269 3.576 1.00 0.00 N ATOM 1080 CA ALA A 82 8.272 -6.384 2.581 1.00 0.00 C ATOM 1081 C ALA A 82 7.348 -5.202 2.335 1.00 0.00 C ATOM 1082 O ALA A 82 7.797 -4.079 2.099 1.00 0.00 O ATOM 1083 CB ALA A 82 8.540 -7.136 1.285 1.00 0.00 C ATOM 0 H ALA A 82 7.507 -8.219 3.250 1.00 0.00 H new ATOM 0 HA ALA A 82 9.225 -6.013 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.978 -6.456 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.231 -7.957 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.603 -7.534 0.895 1.00 0.00 H new ATOM 1089 N LEU A 83 6.048 -5.464 2.419 1.00 0.00 N ATOM 1090 CA LEU A 83 5.045 -4.430 2.231 1.00 0.00 C ATOM 1091 C LEU A 83 4.953 -3.558 3.479 1.00 0.00 C ATOM 1092 O LEU A 83 4.665 -2.365 3.395 1.00 0.00 O ATOM 1093 CB LEU A 83 3.683 -5.054 1.925 1.00 0.00 C ATOM 1094 CG LEU A 83 3.552 -5.670 0.529 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.990 -7.083 0.613 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.677 -4.797 -0.360 1.00 0.00 C ATOM 0 H LEU A 83 5.666 -6.389 2.617 1.00 0.00 H new ATOM 0 HA LEU A 83 5.340 -3.810 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.479 -5.826 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.915 -4.289 2.042 1.00 0.00 H new ATOM 0 HG LEU A 83 4.546 -5.725 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.905 -7.501 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.657 -7.705 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.005 -7.056 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.595 -5.250 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.684 -4.708 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.124 -3.807 -0.451 1.00 0.00 H new ATOM 1108 N VAL A 84 5.209 -4.162 4.638 1.00 0.00 N ATOM 1109 CA VAL A 84 5.163 -3.436 5.900 1.00 0.00 C ATOM 1110 C VAL A 84 6.307 -2.431 5.981 1.00 0.00 C ATOM 1111 O VAL A 84 6.143 -1.331 6.509 1.00 0.00 O ATOM 1112 CB VAL A 84 5.239 -4.393 7.107 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.142 -3.619 8.414 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.143 -5.447 7.021 1.00 0.00 C ATOM 0 H VAL A 84 5.449 -5.149 4.727 1.00 0.00 H new ATOM 0 HA VAL A 84 4.210 -2.909 5.935 1.00 0.00 H new ATOM 0 HB VAL A 84 6.204 -4.899 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.198 -4.313 9.253 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.965 -2.907 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.194 -3.082 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.211 -6.114 7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.168 -4.959 7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.264 -6.024 6.104 1.00 0.00 H new ATOM 1124 N LYS A 85 7.465 -2.814 5.449 1.00 0.00 N ATOM 1125 CA LYS A 85 8.632 -1.940 5.457 1.00 0.00 C ATOM 1126 C LYS A 85 8.448 -0.792 4.471 1.00 0.00 C ATOM 1127 O LYS A 85 8.655 0.374 4.809 1.00 0.00 O ATOM 1128 CB LYS A 85 9.894 -2.735 5.115 1.00 0.00 C ATOM 1129 CG LYS A 85 10.912 -2.773 6.243 1.00 0.00 C ATOM 1130 CD LYS A 85 10.614 -3.895 7.229 1.00 0.00 C ATOM 1131 CE LYS A 85 10.464 -3.366 8.646 1.00 0.00 C ATOM 1132 NZ LYS A 85 10.216 -4.463 9.624 1.00 0.00 N ATOM 0 H LYS A 85 7.619 -3.721 5.009 1.00 0.00 H new ATOM 0 HA LYS A 85 8.742 -1.522 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.612 -3.756 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.360 -2.299 4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.911 -2.908 5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.911 -1.817 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.699 -4.408 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.417 -4.631 7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.366 -2.824 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.640 -2.654 8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.119 -4.062 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.341 -4.964 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.014 -5.130 9.608 1.00 0.00 H new ATOM 1146 N SER A 86 8.053 -1.134 3.251 1.00 0.00 N ATOM 1147 CA SER A 86 7.832 -0.135 2.211 1.00 0.00 C ATOM 1148 C SER A 86 6.660 0.767 2.574 1.00 0.00 C ATOM 1149 O SER A 86 6.707 1.980 2.377 1.00 0.00 O ATOM 1150 CB SER A 86 7.577 -0.815 0.866 1.00 0.00 C ATOM 1151 OG SER A 86 8.709 -0.718 0.020 1.00 0.00 O ATOM 0 H SER A 86 7.879 -2.095 2.957 1.00 0.00 H new ATOM 0 HA SER A 86 8.729 0.479 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.329 -1.864 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.716 -0.355 0.380 1.00 0.00 H new ATOM 0 HG SER A 86 8.519 -1.162 -0.833 1.00 0.00 H new ATOM 1157 N SER A 87 5.606 0.162 3.111 1.00 0.00 N ATOM 1158 CA SER A 87 4.418 0.906 3.509 1.00 0.00 C ATOM 1159 C SER A 87 4.750 1.887 4.626 1.00 0.00 C ATOM 1160 O SER A 87 4.420 3.071 4.543 1.00 0.00 O ATOM 1161 CB SER A 87 3.316 -0.052 3.964 1.00 0.00 C ATOM 1162 OG SER A 87 2.775 -0.765 2.866 1.00 0.00 O ATOM 0 H SER A 87 5.551 -0.842 3.280 1.00 0.00 H new ATOM 0 HA SER A 87 4.062 1.468 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.719 -0.754 4.694 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.525 0.509 4.463 1.00 0.00 H new ATOM 0 HG SER A 87 3.387 -1.487 2.612 1.00 0.00 H new ATOM 1168 N GLU A 88 5.409 1.390 5.670 1.00 0.00 N ATOM 1169 CA GLU A 88 5.790 2.227 6.805 1.00 0.00 C ATOM 1170 C GLU A 88 6.571 3.449 6.336 1.00 0.00 C ATOM 1171 O GLU A 88 6.344 4.564 6.806 1.00 0.00 O ATOM 1172 CB GLU A 88 6.625 1.421 7.802 1.00 0.00 C ATOM 1173 CG GLU A 88 5.838 0.948 9.013 1.00 0.00 C ATOM 1174 CD GLU A 88 4.719 -0.006 8.644 1.00 0.00 C ATOM 1175 OE1 GLU A 88 4.113 0.177 7.567 1.00 0.00 O ATOM 1176 OE2 GLU A 88 4.448 -0.936 9.432 1.00 0.00 O ATOM 0 H GLU A 88 5.690 0.413 5.754 1.00 0.00 H new ATOM 0 HA GLU A 88 4.880 2.567 7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.047 0.555 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.462 2.032 8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.514 0.456 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.419 1.812 9.529 1.00 0.00 H new ATOM 1183 N ASP A 89 7.488 3.230 5.402 1.00 0.00 N ATOM 1184 CA ASP A 89 8.303 4.311 4.863 1.00 0.00 C ATOM 1185 C ASP A 89 7.460 5.249 4.004 1.00 0.00 C ATOM 1186 O ASP A 89 7.776 6.430 3.866 1.00 0.00 O ATOM 1187 CB ASP A 89 9.459 3.744 4.035 1.00 0.00 C ATOM 1188 CG ASP A 89 10.598 4.730 3.882 1.00 0.00 C ATOM 1189 OD1 ASP A 89 10.453 5.687 3.092 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.638 4.547 4.550 1.00 0.00 O ATOM 0 H ASP A 89 7.686 2.313 5.002 1.00 0.00 H new ATOM 0 HA ASP A 89 8.710 4.878 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.830 2.835 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.091 3.462 3.048 1.00 0.00 H new ATOM 1195 N LEU A 90 6.386 4.715 3.428 1.00 0.00 N ATOM 1196 CA LEU A 90 5.502 5.507 2.581 1.00 0.00 C ATOM 1197 C LEU A 90 4.718 6.523 3.407 1.00 0.00 C ATOM 1198 O LEU A 90 4.672 7.705 3.068 1.00 0.00 O ATOM 1199 CB LEU A 90 4.539 4.593 1.818 1.00 0.00 C ATOM 1200 CG LEU A 90 3.479 5.316 0.984 1.00 0.00 C ATOM 1201 CD1 LEU A 90 3.268 4.607 -0.345 1.00 0.00 C ATOM 1202 CD2 LEU A 90 2.170 5.407 1.754 1.00 0.00 C ATOM 0 H LEU A 90 6.108 3.739 3.533 1.00 0.00 H new ATOM 0 HA LEU A 90 6.118 6.051 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.120 3.949 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.035 3.944 2.534 1.00 0.00 H new ATOM 0 HG LEU A 90 3.832 6.327 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.511 5.136 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.205 4.591 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.937 3.585 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.426 5.924 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.814 4.403 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.330 5.959 2.680 1.00 0.00 H new ATOM 1214 N LEU A 91 4.112 6.057 4.492 1.00 0.00 N ATOM 1215 CA LEU A 91 3.340 6.937 5.365 1.00 0.00 C ATOM 1216 C LEU A 91 4.247 7.999 5.962 1.00 0.00 C ATOM 1217 O LEU A 91 3.955 9.191 5.901 1.00 0.00 O ATOM 1218 CB LEU A 91 2.667 6.149 6.490 1.00 0.00 C ATOM 1219 CG LEU A 91 2.156 4.768 6.095 1.00 0.00 C ATOM 1220 CD1 LEU A 91 1.645 4.018 7.315 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.065 4.884 5.041 1.00 0.00 C ATOM 0 H LEU A 91 4.139 5.081 4.789 1.00 0.00 H new ATOM 0 HA LEU A 91 2.564 7.411 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.377 6.036 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.830 6.734 6.872 1.00 0.00 H new ATOM 0 HG LEU A 91 2.985 4.203 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.285 3.035 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.454 3.902 8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.830 4.579 7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.712 3.889 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.235 5.467 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.465 5.379 4.156 1.00 0.00 H new ATOM 1233 N SER A 92 5.355 7.550 6.535 1.00 0.00 N ATOM 1234 CA SER A 92 6.321 8.458 7.145 1.00 0.00 C ATOM 1235 C SER A 92 6.797 9.498 6.135 1.00 0.00 C ATOM 1236 O SER A 92 7.064 10.647 6.492 1.00 0.00 O ATOM 1237 CB SER A 92 7.516 7.673 7.689 1.00 0.00 C ATOM 1238 OG SER A 92 7.223 7.110 8.956 1.00 0.00 O ATOM 0 H SER A 92 5.609 6.564 6.591 1.00 0.00 H new ATOM 0 HA SER A 92 5.830 8.975 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.784 6.881 6.989 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.381 8.332 7.772 1.00 0.00 H new ATOM 0 HG SER A 92 8.002 6.612 9.281 1.00 0.00 H new ATOM 1244 N ALA A 93 6.898 9.089 4.873 1.00 0.00 N ATOM 1245 CA ALA A 93 7.342 9.986 3.814 1.00 0.00 C ATOM 1246 C ALA A 93 6.302 11.064 3.530 1.00 0.00 C ATOM 1247 O ALA A 93 6.612 12.256 3.537 1.00 0.00 O ATOM 1248 CB ALA A 93 7.644 9.197 2.548 1.00 0.00 C ATOM 0 H ALA A 93 6.678 8.143 4.561 1.00 0.00 H new ATOM 0 HA ALA A 93 8.254 10.480 4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.975 9.879 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.430 8.470 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.744 8.677 2.220 1.00 0.00 H new ATOM 1254 N LEU A 94 5.068 10.641 3.276 1.00 0.00 N ATOM 1255 CA LEU A 94 3.986 11.576 2.986 1.00 0.00 C ATOM 1256 C LEU A 94 3.619 12.392 4.222 1.00 0.00 C ATOM 1257 O LEU A 94 3.164 13.531 4.112 1.00 0.00 O ATOM 1258 CB LEU A 94 2.756 10.832 2.465 1.00 0.00 C ATOM 1259 CG LEU A 94 2.266 9.685 3.349 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.174 10.168 4.290 1.00 0.00 C ATOM 1261 CD2 LEU A 94 1.767 8.529 2.494 1.00 0.00 C ATOM 0 H LEU A 94 4.792 9.659 3.265 1.00 0.00 H new ATOM 0 HA LEU A 94 4.337 12.261 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.943 11.548 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.983 10.435 1.476 1.00 0.00 H new ATOM 0 HG LEU A 94 3.103 9.329 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.837 9.339 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.566 10.962 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.335 10.550 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.422 7.721 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.943 8.869 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.578 8.167 1.862 1.00 0.00 H new ATOM 1273 N GLN A 95 3.823 11.810 5.402 1.00 0.00 N ATOM 1274 CA GLN A 95 3.513 12.496 6.651 1.00 0.00 C ATOM 1275 C GLN A 95 4.393 13.729 6.815 1.00 0.00 C ATOM 1276 O GLN A 95 3.896 14.838 7.011 1.00 0.00 O ATOM 1277 CB GLN A 95 3.702 11.558 7.844 1.00 0.00 C ATOM 1278 CG GLN A 95 2.716 11.803 8.974 1.00 0.00 C ATOM 1279 CD GLN A 95 2.926 10.866 10.146 1.00 0.00 C ATOM 1280 OE1 GLN A 95 3.796 11.091 10.987 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.128 9.805 10.206 1.00 0.00 N ATOM 0 H GLN A 95 4.200 10.869 5.518 1.00 0.00 H new ATOM 0 HA GLN A 95 2.470 12.809 6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.603 10.527 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.716 11.671 8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.811 12.833 9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.700 11.684 8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.420 9.658 9.487 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.223 9.138 10.972 1.00 0.00 H new ATOM 1290 N LYS A 96 5.706 13.530 6.725 1.00 0.00 N ATOM 1291 CA LYS A 96 6.650 14.633 6.853 1.00 0.00 C ATOM 1292 C LYS A 96 6.517 15.591 5.676 1.00 0.00 C ATOM 1293 O LYS A 96 6.767 16.789 5.804 1.00 0.00 O ATOM 1294 CB LYS A 96 8.083 14.101 6.938 1.00 0.00 C ATOM 1295 CG LYS A 96 8.552 13.406 5.670 1.00 0.00 C ATOM 1296 CD LYS A 96 10.070 13.380 5.578 1.00 0.00 C ATOM 1297 CE LYS A 96 10.649 12.165 6.285 1.00 0.00 C ATOM 1298 NZ LYS A 96 10.448 10.916 5.501 1.00 0.00 N ATOM 0 H LYS A 96 6.137 12.620 6.565 1.00 0.00 H new ATOM 0 HA LYS A 96 6.421 15.175 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.756 14.929 7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.153 13.403 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.168 12.386 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.142 13.919 4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.372 13.372 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.478 14.289 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.715 12.318 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.181 12.058 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.274 10.295 5.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.596 10.426 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.333 11.152 4.495 1.00 0.00 H new ATOM 1312 N LYS A 97 6.115 15.052 4.529 1.00 0.00 N ATOM 1313 CA LYS A 97 5.939 15.851 3.322 1.00 0.00 C ATOM 1314 C LYS A 97 4.692 16.725 3.424 1.00 0.00 C ATOM 1315 O LYS A 97 4.648 17.828 2.880 1.00 0.00 O ATOM 1316 CB LYS A 97 5.846 14.937 2.097 1.00 0.00 C ATOM 1317 CG LYS A 97 5.354 15.639 0.836 1.00 0.00 C ATOM 1318 CD LYS A 97 3.948 15.197 0.463 1.00 0.00 C ATOM 1319 CE LYS A 97 3.945 14.344 -0.796 1.00 0.00 C ATOM 1320 NZ LYS A 97 4.846 13.163 -0.674 1.00 0.00 N ATOM 0 H LYS A 97 5.904 14.061 4.411 1.00 0.00 H new ATOM 0 HA LYS A 97 6.804 16.505 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.828 14.507 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.175 14.108 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.368 16.718 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.034 15.426 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.513 14.632 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.319 16.074 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.930 14.005 -1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.257 14.951 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.366 12.320 -1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.718 13.334 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.084 13.010 0.327 1.00 0.00 H new