USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 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 105 SER OG : rot -19:sc= 0.567 USER MOD Set 1.2: A 108 HIS : no HD1:sc= 0.758 K(o=1.3,f=-3.3!) USER MOD Set 2.1: A 61 ASN : amide:sc= 1.19 K(o=2.2,f=-4.7!) USER MOD Set 2.2: A 84 THR OG1 : rot 34:sc= 1.01 USER MOD Set 3.1: A 15 MET CE :methyl 142:sc= -1.99 (180deg=-2.56!) USER MOD Set 3.2: A 49 SER OG : rot -72:sc= 0.701 USER MOD Set 4.1: A 28 SER OG : rot 110:sc= 0.576 USER MOD Set 4.2: A 35 GLN : amide:sc= -0.661 K(o=-0.45,f=-2.1!) USER MOD Set 4.3: A 70 HIS : no HD1:sc= -0.363 K(o=-0.45,f=0.59) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.019 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0.561 (180deg=0.489) USER MOD Single : A 17 LYS NZ :NH3+ -106:sc= 0.101 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.88) USER MOD Single : A 27 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.32) USER MOD Single : A 39 SER OG : rot 150:sc= 0.185 USER MOD Single : A 44 SER OG : rot -124:sc= 1.58 USER MOD Single : A 54 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.051) USER MOD Single : A 64 CYS SG : rot 34:sc= 0.159 USER MOD Single : A 65 MET CE :methyl 144:sc= -1.62 (180deg=-4.97!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.67) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= 0.645 (180deg=0.246) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 1.02 (180deg=-0.0452) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot -30:sc= 0.0378 USER MOD Single : A 106 GLN : amide:sc= -0.199 K(o=-0.2,f=-0.77) USER MOD Single : A 110 ASN : amide:sc=-0.00279 K(o=-0.0028,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -9.228 -8.258 -0.260 1.00 0.80 N ATOM 107 CA LEU A 8 -8.610 -7.027 -0.746 1.00 0.56 C ATOM 108 C LEU A 8 -8.109 -6.172 0.410 1.00 0.48 C ATOM 109 O LEU A 8 -8.676 -5.127 0.727 1.00 0.47 O ATOM 110 CB LEU A 8 -9.600 -6.228 -1.591 1.00 0.47 C ATOM 111 CG LEU A 8 -10.081 -6.928 -2.860 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.052 -6.041 -3.618 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.898 -7.304 -3.737 1.00 0.72 C ATOM 0 HA LEU A 8 -7.757 -7.305 -1.365 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.467 -5.988 -0.976 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.135 -5.282 -1.870 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.603 -7.843 -2.578 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.386 -6.554 -4.520 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.913 -5.821 -2.986 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.556 -5.110 -3.893 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.257 -7.802 -4.638 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.350 -6.404 -4.014 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -8.238 -7.976 -3.189 1.00 0.72 H new ATOM 125 N ARG A 9 -7.041 -6.626 1.033 1.00 0.52 N ATOM 126 CA ARG A 9 -6.449 -5.927 2.155 1.00 0.51 C ATOM 127 C ARG A 9 -4.995 -5.593 1.846 1.00 0.43 C ATOM 128 O ARG A 9 -4.310 -6.352 1.158 1.00 0.47 O ATOM 129 CB ARG A 9 -6.537 -6.789 3.417 1.00 0.69 C ATOM 130 CG ARG A 9 -7.957 -7.020 3.913 1.00 1.15 C ATOM 131 CD ARG A 9 -7.982 -8.013 5.063 1.00 1.21 C ATOM 132 NE ARG A 9 -9.275 -8.041 5.745 1.00 1.84 N ATOM 133 CZ ARG A 9 -9.718 -9.068 6.473 1.00 2.23 C ATOM 134 NH1 ARG A 9 -9.012 -10.189 6.556 1.00 2.21 N ATOM 135 NH2 ARG A 9 -10.877 -8.976 7.115 1.00 3.09 N ATOM 0 H ARG A 9 -6.560 -7.488 0.777 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.996 -5.000 2.327 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.071 -7.754 3.218 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -5.959 -6.314 4.210 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -8.391 -6.074 4.237 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -8.575 -7.391 3.095 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -7.752 -9.009 4.685 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -7.202 -7.756 5.779 1.00 1.21 H new ATOM 0 HE ARG A 9 -9.878 -7.222 5.659 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -8.124 -10.270 6.061 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -9.358 -10.969 7.115 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -11.429 -8.120 7.052 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -11.216 -9.761 7.671 1.00 3.09 H new ATOM 149 N PRO A 10 -4.509 -4.447 2.345 1.00 0.36 N ATOM 150 CA PRO A 10 -3.119 -4.034 2.154 1.00 0.30 C ATOM 151 C PRO A 10 -2.153 -4.937 2.914 1.00 0.28 C ATOM 152 O PRO A 10 -2.575 -5.797 3.689 1.00 0.38 O ATOM 153 CB PRO A 10 -3.083 -2.614 2.728 1.00 0.29 C ATOM 154 CG PRO A 10 -4.218 -2.559 3.689 1.00 0.47 C ATOM 155 CD PRO A 10 -5.274 -3.473 3.138 1.00 0.40 C ATOM 0 HA PRO A 10 -2.813 -4.089 1.109 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -2.134 -2.413 3.226 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -3.195 -1.867 1.942 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.904 -2.880 4.682 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.596 -1.541 3.788 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.839 -3.959 3.934 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.992 -2.931 2.523 1.00 0.40 H new ATOM 163 N ARG A 11 -0.864 -4.735 2.707 1.00 0.29 N ATOM 164 CA ARG A 11 0.139 -5.532 3.395 1.00 0.34 C ATOM 165 C ARG A 11 1.244 -4.636 3.944 1.00 0.27 C ATOM 166 O ARG A 11 1.738 -3.743 3.250 1.00 0.27 O ATOM 167 CB ARG A 11 0.712 -6.612 2.460 1.00 0.49 C ATOM 168 CG ARG A 11 1.551 -6.073 1.310 1.00 0.63 C ATOM 169 CD ARG A 11 1.923 -7.167 0.321 1.00 1.00 C ATOM 170 NE ARG A 11 3.102 -6.806 -0.464 1.00 1.22 N ATOM 171 CZ ARG A 11 3.067 -6.208 -1.653 1.00 1.59 C ATOM 172 NH1 ARG A 11 1.920 -5.971 -2.274 1.00 1.95 N ATOM 173 NH2 ARG A 11 4.202 -5.873 -2.242 1.00 2.37 N ATOM 0 H ARG A 11 -0.487 -4.031 2.072 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.336 -6.038 4.235 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.323 -7.297 3.048 1.00 0.49 H new ATOM 0 HB3 ARG A 11 -0.113 -7.194 2.049 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.998 -5.289 0.793 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.458 -5.616 1.705 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.114 -8.095 0.860 1.00 1.00 H new ATOM 0 HD3 ARG A 11 1.083 -7.354 -0.348 1.00 1.00 H new ATOM 0 HE ARG A 11 4.017 -7.028 -0.073 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.039 -6.248 -1.841 1.00 1.95 H new ATOM 0 HH12 ARG A 11 1.919 -5.511 -3.185 1.00 1.95 H new ATOM 0 HH21 ARG A 11 5.092 -6.073 -1.786 1.00 2.37 H new ATOM 0 HH22 ARG A 11 4.188 -5.414 -3.153 1.00 2.37 H new ATOM 187 N LEU A 12 1.595 -4.854 5.206 1.00 0.29 N ATOM 188 CA LEU A 12 2.646 -4.080 5.849 1.00 0.26 C ATOM 189 C LEU A 12 3.970 -4.827 5.756 1.00 0.25 C ATOM 190 O LEU A 12 4.133 -5.905 6.332 1.00 0.32 O ATOM 191 CB LEU A 12 2.299 -3.801 7.319 1.00 0.34 C ATOM 192 CG LEU A 12 3.276 -2.879 8.058 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.201 -1.460 7.516 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.998 -2.890 9.555 1.00 1.28 C ATOM 0 H LEU A 12 1.166 -5.561 5.803 1.00 0.29 H new ATOM 0 HA LEU A 12 2.736 -3.124 5.333 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.304 -3.359 7.363 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.249 -4.751 7.850 1.00 0.34 H new ATOM 0 HG LEU A 12 4.285 -3.256 7.890 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.904 -0.826 8.057 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.455 -1.461 6.456 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.190 -1.074 7.646 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.702 -2.229 10.061 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.981 -2.545 9.739 1.00 1.28 H new ATOM 0 HD23 LEU A 12 3.112 -3.904 9.939 1.00 1.28 H new ATOM 206 N CYS A 13 4.896 -4.268 5.006 1.00 0.23 N ATOM 207 CA CYS A 13 6.206 -4.863 4.836 1.00 0.25 C ATOM 208 C CYS A 13 7.194 -4.224 5.800 1.00 0.22 C ATOM 209 O CYS A 13 7.437 -3.019 5.740 1.00 0.24 O ATOM 210 CB CYS A 13 6.676 -4.675 3.393 1.00 0.29 C ATOM 211 SG CYS A 13 5.506 -5.292 2.158 1.00 0.40 S ATOM 0 H CYS A 13 4.764 -3.393 4.499 1.00 0.23 H new ATOM 0 HA CYS A 13 6.147 -5.930 5.051 1.00 0.25 H new ATOM 0 HB2 CYS A 13 6.854 -3.615 3.214 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.631 -5.185 3.262 1.00 0.29 H new ATOM 0 HG CYS A 13 5.985 -5.090 0.967 1.00 0.40 H new ATOM 217 N THR A 14 7.760 -5.026 6.684 1.00 0.23 N ATOM 218 CA THR A 14 8.680 -4.510 7.682 1.00 0.24 C ATOM 219 C THR A 14 10.088 -4.985 7.355 1.00 0.22 C ATOM 220 O THR A 14 10.364 -6.185 7.363 1.00 0.25 O ATOM 221 CB THR A 14 8.278 -4.982 9.097 1.00 0.31 C ATOM 222 OG1 THR A 14 6.859 -4.846 9.268 1.00 0.35 O ATOM 223 CG2 THR A 14 8.993 -4.170 10.168 1.00 0.35 C ATOM 0 H THR A 14 7.600 -6.032 6.732 1.00 0.23 H new ATOM 0 HA THR A 14 8.645 -3.421 7.667 1.00 0.24 H new ATOM 0 HB THR A 14 8.567 -6.028 9.202 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.607 -5.148 10.166 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.692 -4.523 11.154 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.071 -4.287 10.054 1.00 0.35 H new ATOM 0 HG23 THR A 14 8.729 -3.118 10.063 1.00 0.35 H new ATOM 231 N MET A 15 10.977 -4.047 7.082 1.00 0.20 N ATOM 232 CA MET A 15 12.296 -4.389 6.581 1.00 0.19 C ATOM 233 C MET A 15 13.387 -3.713 7.395 1.00 0.21 C ATOM 234 O MET A 15 13.313 -2.522 7.694 1.00 0.21 O ATOM 235 CB MET A 15 12.410 -4.001 5.101 1.00 0.21 C ATOM 236 CG MET A 15 12.050 -2.548 4.825 1.00 0.24 C ATOM 237 SD MET A 15 12.167 -2.100 3.082 1.00 0.88 S ATOM 238 CE MET A 15 10.764 -2.984 2.408 1.00 0.28 C ATOM 0 H MET A 15 10.811 -3.047 7.198 1.00 0.20 H new ATOM 0 HA MET A 15 12.430 -5.466 6.678 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.430 -4.185 4.763 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.758 -4.647 4.513 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.034 -2.361 5.173 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.710 -1.902 5.404 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.288 -2.377 1.638 1.00 0.28 H new ATOM 0 HE2 MET A 15 11.102 -3.924 1.972 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.047 -3.189 3.203 1.00 0.28 H new ATOM 248 N LYS A 16 14.390 -4.494 7.750 1.00 0.29 N ATOM 249 CA LYS A 16 15.543 -4.005 8.489 1.00 0.37 C ATOM 250 C LYS A 16 16.753 -3.949 7.583 1.00 0.40 C ATOM 251 O LYS A 16 16.934 -4.805 6.718 1.00 0.48 O ATOM 252 CB LYS A 16 15.837 -4.921 9.682 1.00 0.50 C ATOM 253 CG LYS A 16 17.141 -4.586 10.389 1.00 0.90 C ATOM 254 CD LYS A 16 17.524 -5.642 11.407 1.00 1.09 C ATOM 255 CE LYS A 16 18.927 -5.402 11.942 1.00 1.96 C ATOM 256 NZ LYS A 16 19.964 -5.557 10.882 1.00 2.58 N ATOM 0 H LYS A 16 14.430 -5.490 7.534 1.00 0.29 H new ATOM 0 HA LYS A 16 15.321 -3.003 8.856 1.00 0.37 H new ATOM 0 HB2 LYS A 16 15.016 -4.851 10.396 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.873 -5.955 9.338 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.938 -4.488 9.652 1.00 0.90 H new ATOM 0 HG3 LYS A 16 17.046 -3.621 10.886 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.811 -5.633 12.231 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.470 -6.630 10.949 1.00 1.09 H new ATOM 0 HE2 LYS A 16 18.987 -4.399 12.364 1.00 1.96 H new ATOM 0 HE3 LYS A 16 19.130 -6.102 12.753 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 20.909 -5.554 11.317 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 19.817 -6.457 10.381 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 19.891 -4.769 10.207 1.00 2.58 H new ATOM 270 N LYS A 17 17.572 -2.931 7.793 1.00 0.41 N ATOM 271 CA LYS A 17 18.805 -2.773 7.050 1.00 0.50 C ATOM 272 C LYS A 17 19.691 -3.989 7.194 1.00 0.60 C ATOM 273 O LYS A 17 19.999 -4.434 8.304 1.00 0.67 O ATOM 274 CB LYS A 17 19.565 -1.549 7.527 1.00 0.51 C ATOM 275 CG LYS A 17 19.114 -0.264 6.875 1.00 0.52 C ATOM 276 CD LYS A 17 19.906 0.915 7.408 1.00 0.53 C ATOM 277 CE LYS A 17 19.267 2.244 7.044 1.00 0.62 C ATOM 278 NZ LYS A 17 20.047 3.390 7.581 1.00 0.92 N ATOM 0 H LYS A 17 17.400 -2.197 8.480 1.00 0.41 H new ATOM 0 HA LYS A 17 18.537 -2.651 6.001 1.00 0.50 H new ATOM 0 HB2 LYS A 17 19.450 -1.458 8.607 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.628 -1.692 7.331 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.240 -0.335 5.795 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.051 -0.109 7.062 1.00 0.52 H new ATOM 0 HD2 LYS A 17 19.986 0.837 8.492 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.920 0.880 7.010 1.00 0.53 H new ATOM 0 HE2 LYS A 17 19.194 2.329 5.960 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.250 2.279 7.436 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.544 3.803 8.392 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.984 3.059 7.887 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 20.160 4.111 6.840 1.00 0.92 H new ATOM 292 N GLY A 18 20.078 -4.518 6.055 1.00 0.68 N ATOM 293 CA GLY A 18 21.009 -5.621 6.023 1.00 0.85 C ATOM 294 C GLY A 18 22.439 -5.125 6.044 1.00 1.05 C ATOM 295 O GLY A 18 22.821 -4.380 6.945 1.00 1.28 O ATOM 0 H GLY A 18 19.762 -4.201 5.138 1.00 0.68 H new ATOM 0 HA2 GLY A 18 20.834 -6.274 6.878 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.840 -6.218 5.127 1.00 0.85 H new ATOM 299 N PRO A 19 23.254 -5.516 5.059 1.00 1.24 N ATOM 300 CA PRO A 19 24.636 -5.047 4.944 1.00 1.57 C ATOM 301 C PRO A 19 24.719 -3.555 4.621 1.00 1.57 C ATOM 302 O PRO A 19 25.466 -2.809 5.260 1.00 2.23 O ATOM 303 CB PRO A 19 25.212 -5.872 3.786 1.00 1.91 C ATOM 304 CG PRO A 19 24.245 -6.988 3.569 1.00 1.86 C ATOM 305 CD PRO A 19 22.907 -6.465 3.995 1.00 1.40 C ATOM 0 HA PRO A 19 25.179 -5.171 5.881 1.00 1.57 H new ATOM 0 HB2 PRO A 19 25.318 -5.265 2.887 1.00 1.91 H new ATOM 0 HB3 PRO A 19 26.203 -6.254 4.032 1.00 1.91 H new ATOM 0 HG2 PRO A 19 24.229 -7.293 2.523 1.00 1.86 H new ATOM 0 HG3 PRO A 19 24.525 -7.865 4.152 1.00 1.86 H new ATOM 0 HD2 PRO A 19 22.383 -5.977 3.173 1.00 1.40 H new ATOM 0 HD3 PRO A 19 22.258 -7.262 4.359 1.00 1.40 H new ATOM 313 N SER A 20 23.954 -3.119 3.627 1.00 1.40 N ATOM 314 CA SER A 20 24.010 -1.733 3.180 1.00 1.65 C ATOM 315 C SER A 20 22.661 -1.034 3.352 1.00 1.43 C ATOM 316 O SER A 20 22.603 0.159 3.656 1.00 1.93 O ATOM 317 CB SER A 20 24.446 -1.682 1.715 1.00 2.14 C ATOM 318 OG SER A 20 25.681 -2.359 1.528 1.00 2.87 O ATOM 0 H SER A 20 23.290 -3.702 3.117 1.00 1.40 H new ATOM 0 HA SER A 20 24.738 -1.206 3.797 1.00 1.65 H new ATOM 0 HB2 SER A 20 23.679 -2.137 1.088 1.00 2.14 H new ATOM 0 HB3 SER A 20 24.544 -0.644 1.397 1.00 2.14 H new ATOM 0 HG SER A 20 25.939 -2.315 0.584 1.00 2.87 H new ATOM 324 N GLY A 21 21.581 -1.776 3.173 1.00 1.04 N ATOM 325 CA GLY A 21 20.259 -1.188 3.234 1.00 0.94 C ATOM 326 C GLY A 21 19.169 -2.224 3.133 1.00 0.97 C ATOM 327 O GLY A 21 19.308 -3.329 3.656 1.00 1.93 O ATOM 0 H GLY A 21 21.595 -2.779 2.986 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.150 -0.639 4.169 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.147 -0.466 2.426 1.00 0.94 H new ATOM 331 N TYR A 22 18.085 -1.873 2.462 1.00 0.74 N ATOM 332 CA TYR A 22 16.936 -2.755 2.371 1.00 0.70 C ATOM 333 C TYR A 22 16.931 -3.506 1.045 1.00 0.89 C ATOM 334 O TYR A 22 16.680 -4.704 1.007 1.00 1.82 O ATOM 335 CB TYR A 22 15.647 -1.955 2.538 1.00 0.64 C ATOM 336 CG TYR A 22 15.670 -1.028 3.733 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.752 -1.526 5.025 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.599 0.347 3.564 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.768 -0.678 6.115 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.616 1.203 4.648 1.00 0.54 C ATOM 341 CZ TYR A 22 15.698 0.686 5.922 1.00 0.46 C ATOM 342 OH TYR A 22 15.717 1.535 7.004 1.00 0.59 O ATOM 0 H TYR A 22 17.977 -0.984 1.973 1.00 0.74 H new ATOM 0 HA TYR A 22 17.001 -3.490 3.174 1.00 0.70 H new ATOM 0 HB2 TYR A 22 15.471 -1.369 1.636 1.00 0.64 H new ATOM 0 HB3 TYR A 22 14.809 -2.645 2.638 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.804 -2.593 5.181 1.00 0.47 H new ATOM 0 HD2 TYR A 22 15.529 0.756 2.567 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.835 -1.081 7.115 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.565 2.271 4.497 1.00 0.54 H new ATOM 0 HH TYR A 22 15.661 2.463 6.693 1.00 0.59 H new ATOM 352 N GLY A 23 17.206 -2.787 -0.035 1.00 0.43 N ATOM 353 CA GLY A 23 17.332 -3.412 -1.341 1.00 0.42 C ATOM 354 C GLY A 23 16.084 -3.274 -2.193 1.00 0.39 C ATOM 355 O GLY A 23 15.393 -4.252 -2.462 1.00 0.39 O ATOM 0 H GLY A 23 17.345 -1.777 -0.031 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.176 -2.968 -1.869 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.559 -4.470 -1.210 1.00 0.42 H new ATOM 359 N PHE A 24 15.806 -2.055 -2.629 1.00 0.37 N ATOM 360 CA PHE A 24 14.687 -1.782 -3.525 1.00 0.36 C ATOM 361 C PHE A 24 14.947 -0.493 -4.278 1.00 0.38 C ATOM 362 O PHE A 24 15.677 0.376 -3.801 1.00 0.40 O ATOM 363 CB PHE A 24 13.365 -1.691 -2.752 1.00 0.34 C ATOM 364 CG PHE A 24 13.297 -0.566 -1.754 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.836 -0.716 -0.486 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.703 0.640 -2.087 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.784 0.316 0.431 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.647 1.677 -1.172 1.00 0.36 C ATOM 369 CZ PHE A 24 13.154 1.509 0.089 1.00 0.36 C ATOM 0 H PHE A 24 16.346 -1.228 -2.374 1.00 0.37 H new ATOM 0 HA PHE A 24 14.600 -2.606 -4.233 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.549 -1.575 -3.466 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.200 -2.633 -2.229 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.302 -1.651 -0.212 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.279 0.773 -3.071 1.00 0.34 H new ATOM 0 HE1 PHE A 24 14.230 0.198 1.408 1.00 0.35 H new ATOM 0 HE2 PHE A 24 12.203 2.620 -1.453 1.00 0.36 H new ATOM 0 HZ PHE A 24 13.065 2.301 0.817 1.00 0.36 H new ATOM 379 N ASN A 25 14.361 -0.372 -5.450 1.00 0.43 N ATOM 380 CA ASN A 25 14.512 0.830 -6.245 1.00 0.46 C ATOM 381 C ASN A 25 13.261 1.687 -6.112 1.00 0.42 C ATOM 382 O ASN A 25 12.147 1.214 -6.359 1.00 0.39 O ATOM 383 CB ASN A 25 14.767 0.464 -7.710 1.00 0.51 C ATOM 384 CG ASN A 25 15.107 1.667 -8.566 1.00 1.23 C ATOM 385 OD1 ASN A 25 15.636 2.665 -8.076 1.00 2.18 O ATOM 386 ND2 ASN A 25 14.833 1.574 -9.857 1.00 1.65 N ATOM 0 H ASN A 25 13.775 -1.091 -5.874 1.00 0.43 H new ATOM 0 HA ASN A 25 15.368 1.400 -5.884 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.584 -0.256 -7.763 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.883 -0.027 -8.116 1.00 0.51 H new ATOM 0 HD21 ASN A 25 15.061 2.346 -10.484 1.00 1.65 H new ATOM 0 HD22 ASN A 25 14.394 0.730 -10.226 1.00 1.65 H new ATOM 393 N LEU A 26 13.442 2.947 -5.740 1.00 0.50 N ATOM 394 CA LEU A 26 12.315 3.817 -5.447 1.00 0.52 C ATOM 395 C LEU A 26 12.028 4.699 -6.655 1.00 0.55 C ATOM 396 O LEU A 26 12.899 5.428 -7.138 1.00 0.73 O ATOM 397 CB LEU A 26 12.615 4.658 -4.196 1.00 0.69 C ATOM 398 CG LEU A 26 11.397 5.270 -3.483 1.00 0.87 C ATOM 399 CD1 LEU A 26 10.810 6.422 -4.281 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.339 4.203 -3.230 1.00 1.48 C ATOM 0 H LEU A 26 14.356 3.387 -5.635 1.00 0.50 H new ATOM 0 HA LEU A 26 11.428 3.218 -5.242 1.00 0.52 H new ATOM 0 HB2 LEU A 26 13.151 4.032 -3.483 1.00 0.69 H new ATOM 0 HB3 LEU A 26 13.288 5.467 -4.480 1.00 0.69 H new ATOM 0 HG LEU A 26 11.734 5.666 -2.525 1.00 0.87 H new ATOM 0 HD11 LEU A 26 9.951 6.832 -3.750 1.00 1.52 H new ATOM 0 HD12 LEU A 26 11.564 7.199 -4.407 1.00 1.52 H new ATOM 0 HD13 LEU A 26 10.493 6.062 -5.260 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.484 4.651 -2.725 1.00 1.48 H new ATOM 0 HD22 LEU A 26 10.017 3.777 -4.180 1.00 1.48 H new ATOM 0 HD23 LEU A 26 10.759 3.416 -2.603 1.00 1.48 H new ATOM 412 N HIS A 27 10.801 4.620 -7.139 1.00 0.56 N ATOM 413 CA HIS A 27 10.426 5.257 -8.387 1.00 0.67 C ATOM 414 C HIS A 27 9.205 6.147 -8.207 1.00 0.68 C ATOM 415 O HIS A 27 8.152 5.699 -7.773 1.00 0.95 O ATOM 416 CB HIS A 27 10.200 4.154 -9.428 1.00 1.23 C ATOM 417 CG HIS A 27 9.122 4.386 -10.441 1.00 0.70 C ATOM 418 ND1 HIS A 27 9.069 5.480 -11.276 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.051 3.623 -10.746 1.00 0.81 C ATOM 420 CE1 HIS A 27 8.002 5.384 -12.051 1.00 1.30 C ATOM 421 NE2 HIS A 27 7.364 4.262 -11.752 1.00 1.34 N ATOM 0 H HIS A 27 10.042 4.116 -6.681 1.00 0.56 H new ATOM 0 HA HIS A 27 11.222 5.917 -8.732 1.00 0.67 H new ATOM 0 HB2 HIS A 27 11.137 3.994 -9.961 1.00 1.23 H new ATOM 0 HB3 HIS A 27 9.973 3.229 -8.898 1.00 1.23 H new ATOM 0 HD2 HIS A 27 7.783 2.684 -10.285 1.00 0.81 H new ATOM 0 HE1 HIS A 27 7.701 6.100 -12.802 1.00 1.30 H new ATOM 0 HE2 HIS A 27 6.507 3.928 -12.194 1.00 1.34 H new ATOM 430 N SER A 28 9.366 7.410 -8.542 1.00 0.75 N ATOM 431 CA SER A 28 8.288 8.374 -8.435 1.00 1.14 C ATOM 432 C SER A 28 7.847 8.828 -9.820 1.00 1.03 C ATOM 433 O SER A 28 8.490 8.502 -10.820 1.00 1.34 O ATOM 434 CB SER A 28 8.762 9.571 -7.617 1.00 1.74 C ATOM 435 OG SER A 28 9.336 9.141 -6.395 1.00 2.30 O ATOM 0 H SER A 28 10.242 7.797 -8.894 1.00 0.75 H new ATOM 0 HA SER A 28 7.437 7.909 -7.937 1.00 1.14 H new ATOM 0 HB2 SER A 28 9.494 10.142 -8.188 1.00 1.74 H new ATOM 0 HB3 SER A 28 7.923 10.237 -7.417 1.00 1.74 H new ATOM 0 HG SER A 28 10.304 9.294 -6.416 1.00 2.30 H new ATOM 529 N GLN A 35 4.841 7.389 -4.300 1.00 0.74 N ATOM 530 CA GLN A 35 6.092 6.698 -4.566 1.00 0.59 C ATOM 531 C GLN A 35 5.807 5.240 -4.907 1.00 0.52 C ATOM 532 O GLN A 35 5.100 4.548 -4.170 1.00 0.58 O ATOM 533 CB GLN A 35 7.021 6.794 -3.351 1.00 0.58 C ATOM 534 CG GLN A 35 7.799 8.111 -3.235 1.00 0.82 C ATOM 535 CD GLN A 35 6.973 9.349 -3.547 1.00 0.75 C ATOM 536 OE1 GLN A 35 6.296 9.893 -2.685 1.00 1.50 O ATOM 537 NE2 GLN A 35 7.065 9.826 -4.778 1.00 0.78 N ATOM 0 HA GLN A 35 6.589 7.170 -5.414 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.428 6.659 -2.447 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.734 5.970 -3.391 1.00 0.58 H new ATOM 0 HG2 GLN A 35 8.197 8.198 -2.224 1.00 0.82 H new ATOM 0 HG3 GLN A 35 8.653 8.077 -3.912 1.00 0.82 H new ATOM 0 HE21 GLN A 35 7.640 9.345 -5.470 1.00 0.78 H new ATOM 0 HE22 GLN A 35 6.561 10.675 -5.035 1.00 0.78 H new ATOM 546 N PHE A 36 6.351 4.777 -6.023 1.00 0.47 N ATOM 547 CA PHE A 36 6.072 3.435 -6.504 1.00 0.43 C ATOM 548 C PHE A 36 7.326 2.582 -6.435 1.00 0.39 C ATOM 549 O PHE A 36 8.441 3.083 -6.601 1.00 0.45 O ATOM 550 CB PHE A 36 5.572 3.475 -7.953 1.00 0.48 C ATOM 551 CG PHE A 36 4.367 4.345 -8.171 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.093 3.870 -7.907 1.00 0.68 C ATOM 553 CD2 PHE A 36 4.510 5.637 -8.653 1.00 0.70 C ATOM 554 CE1 PHE A 36 1.984 4.669 -8.113 1.00 0.81 C ATOM 555 CE2 PHE A 36 3.405 6.439 -8.863 1.00 0.83 C ATOM 556 CZ PHE A 36 2.141 5.954 -8.595 1.00 0.87 C ATOM 0 H PHE A 36 6.989 5.313 -6.612 1.00 0.47 H new ATOM 0 HA PHE A 36 5.299 3.002 -5.869 1.00 0.43 H new ATOM 0 HB2 PHE A 36 6.380 3.828 -8.594 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.334 2.460 -8.270 1.00 0.48 H new ATOM 0 HD1 PHE A 36 2.965 2.864 -7.536 1.00 0.68 H new ATOM 0 HD2 PHE A 36 5.497 6.021 -8.867 1.00 0.70 H new ATOM 0 HE1 PHE A 36 0.996 4.289 -7.897 1.00 0.81 H new ATOM 0 HE2 PHE A 36 3.530 7.445 -9.237 1.00 0.83 H new ATOM 0 HZ PHE A 36 1.276 6.578 -8.762 1.00 0.87 H new ATOM 566 N ILE A 37 7.147 1.300 -6.191 1.00 0.36 N ATOM 567 CA ILE A 37 8.263 0.381 -6.210 1.00 0.33 C ATOM 568 C ILE A 37 8.555 -0.017 -7.648 1.00 0.33 C ATOM 569 O ILE A 37 7.786 -0.758 -8.270 1.00 0.38 O ATOM 570 CB ILE A 37 7.992 -0.885 -5.372 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.489 -0.503 -3.975 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.258 -1.732 -5.275 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.472 0.321 -3.169 1.00 0.38 C ATOM 0 H ILE A 37 6.245 0.874 -5.979 1.00 0.36 H new ATOM 0 HA ILE A 37 9.121 0.888 -5.768 1.00 0.33 H new ATOM 0 HB ILE A 37 7.218 -1.474 -5.865 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.559 0.056 -4.076 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.255 -1.413 -3.423 1.00 0.39 H new ATOM 0 HG21 ILE A 37 9.055 -2.623 -4.681 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.576 -2.027 -6.275 1.00 0.33 H new ATOM 0 HG23 ILE A 37 10.049 -1.152 -4.799 1.00 0.33 H new ATOM 0 HD11 ILE A 37 8.041 0.550 -2.194 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.395 -0.243 -3.035 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.688 1.250 -3.697 1.00 0.38 H new ATOM 585 N ARG A 38 9.646 0.512 -8.187 1.00 0.34 N ATOM 586 CA ARG A 38 10.051 0.204 -9.552 1.00 0.41 C ATOM 587 C ARG A 38 10.434 -1.260 -9.633 1.00 0.40 C ATOM 588 O ARG A 38 10.073 -1.965 -10.577 1.00 0.49 O ATOM 589 CB ARG A 38 11.226 1.106 -9.961 1.00 0.50 C ATOM 590 CG ARG A 38 11.589 1.066 -11.443 1.00 0.67 C ATOM 591 CD ARG A 38 12.401 -0.167 -11.796 1.00 1.24 C ATOM 592 NE ARG A 38 12.832 -0.176 -13.188 1.00 1.56 N ATOM 593 CZ ARG A 38 13.582 -1.139 -13.716 1.00 2.17 C ATOM 594 NH1 ARG A 38 13.973 -2.163 -12.961 1.00 2.83 N ATOM 595 NH2 ARG A 38 13.927 -1.085 -14.997 1.00 2.62 N ATOM 0 H ARG A 38 10.267 1.157 -7.699 1.00 0.34 H new ATOM 0 HA ARG A 38 9.227 0.391 -10.240 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.986 2.134 -9.689 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.103 0.819 -9.380 1.00 0.50 H new ATOM 0 HG2 ARG A 38 10.677 1.083 -12.040 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.156 1.960 -11.702 1.00 0.67 H new ATOM 0 HD2 ARG A 38 13.276 -0.218 -11.148 1.00 1.24 H new ATOM 0 HD3 ARG A 38 11.805 -1.058 -11.598 1.00 1.24 H new ATOM 0 HE ARG A 38 12.543 0.596 -13.789 1.00 1.56 H new ATOM 0 HH11 ARG A 38 13.697 -2.208 -11.980 1.00 2.83 H new ATOM 0 HH12 ARG A 38 14.548 -2.903 -13.363 1.00 2.83 H new ATOM 0 HH21 ARG A 38 13.617 -0.305 -15.576 1.00 2.62 H new ATOM 0 HH22 ARG A 38 14.502 -1.824 -15.402 1.00 2.62 H new ATOM 609 N SER A 39 11.153 -1.699 -8.619 1.00 0.36 N ATOM 610 CA SER A 39 11.599 -3.073 -8.519 1.00 0.40 C ATOM 611 C SER A 39 12.283 -3.290 -7.178 1.00 0.32 C ATOM 612 O SER A 39 12.774 -2.339 -6.566 1.00 0.37 O ATOM 613 CB SER A 39 12.550 -3.412 -9.674 1.00 0.54 C ATOM 614 OG SER A 39 13.552 -2.418 -9.829 1.00 1.26 O ATOM 0 H SER A 39 11.445 -1.110 -7.839 1.00 0.36 H new ATOM 0 HA SER A 39 10.736 -3.736 -8.587 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.019 -4.378 -9.489 1.00 0.54 H new ATOM 0 HB3 SER A 39 11.982 -3.506 -10.600 1.00 0.54 H new ATOM 0 HG SER A 39 14.368 -2.829 -10.183 1.00 1.26 H new ATOM 620 N VAL A 40 12.288 -4.524 -6.709 1.00 0.36 N ATOM 621 CA VAL A 40 12.979 -4.863 -5.476 1.00 0.30 C ATOM 622 C VAL A 40 14.206 -5.711 -5.792 1.00 0.31 C ATOM 623 O VAL A 40 14.114 -6.710 -6.511 1.00 0.37 O ATOM 624 CB VAL A 40 12.044 -5.591 -4.474 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.405 -6.821 -5.098 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.790 -5.963 -3.204 1.00 0.32 C ATOM 0 H VAL A 40 11.821 -5.310 -7.163 1.00 0.36 H new ATOM 0 HA VAL A 40 13.298 -3.937 -4.997 1.00 0.30 H new ATOM 0 HB VAL A 40 11.245 -4.897 -4.213 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.757 -7.305 -4.367 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.815 -6.524 -5.965 1.00 0.37 H new ATOM 0 HG13 VAL A 40 12.184 -7.517 -5.410 1.00 0.37 H new ATOM 0 HG21 VAL A 40 12.111 -6.472 -2.519 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.620 -6.625 -3.450 1.00 0.32 H new ATOM 0 HG23 VAL A 40 13.174 -5.060 -2.730 1.00 0.32 H new ATOM 636 N ASP A 41 15.355 -5.285 -5.284 1.00 0.35 N ATOM 637 CA ASP A 41 16.616 -5.960 -5.568 1.00 0.45 C ATOM 638 C ASP A 41 16.600 -7.360 -4.977 1.00 0.48 C ATOM 639 O ASP A 41 16.291 -7.536 -3.802 1.00 0.51 O ATOM 640 CB ASP A 41 17.802 -5.176 -4.993 1.00 0.54 C ATOM 641 CG ASP A 41 17.934 -3.773 -5.556 1.00 1.27 C ATOM 642 OD1 ASP A 41 17.926 -3.627 -6.796 1.00 1.32 O ATOM 643 OD2 ASP A 41 18.026 -2.808 -4.764 1.00 2.28 O ATOM 0 H ASP A 41 15.440 -4.474 -4.672 1.00 0.35 H new ATOM 0 HA ASP A 41 16.731 -6.020 -6.650 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.696 -5.115 -3.910 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.721 -5.726 -5.193 1.00 0.54 H new ATOM 648 N PRO A 42 16.918 -8.376 -5.787 1.00 0.58 N ATOM 649 CA PRO A 42 16.916 -9.770 -5.338 1.00 0.69 C ATOM 650 C PRO A 42 17.913 -10.015 -4.214 1.00 0.69 C ATOM 651 O PRO A 42 18.989 -9.408 -4.182 1.00 1.17 O ATOM 652 CB PRO A 42 17.309 -10.562 -6.589 1.00 0.84 C ATOM 653 CG PRO A 42 17.956 -9.571 -7.495 1.00 0.93 C ATOM 654 CD PRO A 42 17.301 -8.253 -7.204 1.00 0.69 C ATOM 0 HA PRO A 42 15.948 -10.060 -4.930 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.993 -11.374 -6.342 1.00 0.84 H new ATOM 0 HB3 PRO A 42 16.435 -11.013 -7.059 1.00 0.84 H new ATOM 0 HG2 PRO A 42 19.030 -9.521 -7.315 1.00 0.93 H new ATOM 0 HG3 PRO A 42 17.821 -9.851 -8.540 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.984 -7.419 -7.366 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.434 -8.084 -7.843 1.00 0.69 H new ATOM 662 N ASP A 43 17.535 -10.903 -3.297 1.00 0.75 N ATOM 663 CA ASP A 43 18.345 -11.218 -2.123 1.00 0.87 C ATOM 664 C ASP A 43 18.447 -9.991 -1.228 1.00 0.70 C ATOM 665 O ASP A 43 19.535 -9.517 -0.903 1.00 0.86 O ATOM 666 CB ASP A 43 19.740 -11.718 -2.524 1.00 1.14 C ATOM 667 CG ASP A 43 20.536 -12.248 -1.345 1.00 1.69 C ATOM 668 OD1 ASP A 43 20.141 -13.290 -0.784 1.00 1.92 O ATOM 669 OD2 ASP A 43 21.562 -11.629 -0.981 1.00 2.40 O ATOM 0 H ASP A 43 16.659 -11.424 -3.347 1.00 0.75 H new ATOM 0 HA ASP A 43 17.858 -12.023 -1.572 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.638 -12.505 -3.271 1.00 1.14 H new ATOM 0 HB3 ASP A 43 20.292 -10.903 -2.993 1.00 1.14 H new ATOM 674 N SER A 44 17.297 -9.457 -0.865 1.00 0.57 N ATOM 675 CA SER A 44 17.244 -8.298 0.009 1.00 0.48 C ATOM 676 C SER A 44 16.248 -8.511 1.142 1.00 0.40 C ATOM 677 O SER A 44 15.270 -9.249 0.994 1.00 0.39 O ATOM 678 CB SER A 44 16.844 -7.066 -0.797 1.00 0.47 C ATOM 679 OG SER A 44 15.543 -7.216 -1.338 1.00 0.46 O ATOM 0 H SER A 44 16.386 -9.806 -1.161 1.00 0.57 H new ATOM 0 HA SER A 44 18.233 -8.152 0.443 1.00 0.48 H new ATOM 0 HB2 SER A 44 16.877 -6.183 -0.159 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.561 -6.905 -1.602 1.00 0.47 H new ATOM 0 HG SER A 44 15.577 -7.097 -2.310 1.00 0.46 H new ATOM 685 N PRO A 45 16.495 -7.876 2.300 1.00 0.43 N ATOM 686 CA PRO A 45 15.540 -7.864 3.409 1.00 0.45 C ATOM 687 C PRO A 45 14.232 -7.180 3.018 1.00 0.38 C ATOM 688 O PRO A 45 13.181 -7.445 3.604 1.00 0.39 O ATOM 689 CB PRO A 45 16.256 -7.078 4.510 1.00 0.57 C ATOM 690 CG PRO A 45 17.334 -6.319 3.816 1.00 0.65 C ATOM 691 CD PRO A 45 17.733 -7.152 2.631 1.00 0.52 C ATOM 0 HA PRO A 45 15.261 -8.871 3.720 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.569 -6.405 5.023 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.670 -7.747 5.265 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.979 -5.338 3.501 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.183 -6.153 4.479 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.073 -6.534 1.800 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.547 -7.835 2.874 1.00 0.52 H new ATOM 699 N ALA A 46 14.301 -6.303 2.018 1.00 0.35 N ATOM 700 CA ALA A 46 13.109 -5.674 1.471 1.00 0.33 C ATOM 701 C ALA A 46 12.220 -6.725 0.822 1.00 0.30 C ATOM 702 O ALA A 46 11.018 -6.788 1.078 1.00 0.31 O ATOM 703 CB ALA A 46 13.483 -4.599 0.461 1.00 0.36 C ATOM 0 H ALA A 46 15.172 -6.014 1.573 1.00 0.35 H new ATOM 0 HA ALA A 46 12.561 -5.199 2.285 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.577 -4.141 0.064 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.091 -3.837 0.949 1.00 0.36 H new ATOM 0 HB3 ALA A 46 14.050 -5.048 -0.355 1.00 0.36 H new ATOM 709 N GLU A 47 12.827 -7.569 0.003 1.00 0.31 N ATOM 710 CA GLU A 47 12.116 -8.666 -0.638 1.00 0.33 C ATOM 711 C GLU A 47 11.602 -9.646 0.417 1.00 0.34 C ATOM 712 O GLU A 47 10.543 -10.255 0.257 1.00 0.40 O ATOM 713 CB GLU A 47 13.046 -9.372 -1.626 1.00 0.40 C ATOM 714 CG GLU A 47 12.442 -10.596 -2.291 1.00 0.53 C ATOM 715 CD GLU A 47 13.384 -11.234 -3.292 1.00 1.12 C ATOM 716 OE1 GLU A 47 14.570 -11.436 -2.956 1.00 2.01 O ATOM 717 OE2 GLU A 47 12.939 -11.540 -4.419 1.00 1.51 O ATOM 0 H GLU A 47 13.817 -7.515 -0.235 1.00 0.31 H new ATOM 0 HA GLU A 47 11.259 -8.272 -1.184 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.341 -8.662 -2.399 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.954 -9.669 -1.102 1.00 0.40 H new ATOM 0 HG2 GLU A 47 12.178 -11.328 -1.527 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.518 -10.313 -2.795 1.00 0.53 H new ATOM 724 N ALA A 48 12.348 -9.771 1.508 1.00 0.34 N ATOM 725 CA ALA A 48 11.965 -10.656 2.601 1.00 0.38 C ATOM 726 C ALA A 48 10.764 -10.111 3.375 1.00 0.37 C ATOM 727 O ALA A 48 9.954 -10.879 3.888 1.00 0.47 O ATOM 728 CB ALA A 48 13.141 -10.877 3.538 1.00 0.44 C ATOM 0 H ALA A 48 13.223 -9.270 1.659 1.00 0.34 H new ATOM 0 HA ALA A 48 11.672 -11.611 2.166 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.840 -11.540 4.349 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.965 -11.329 2.987 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.462 -9.921 3.951 1.00 0.44 H new ATOM 734 N SER A 49 10.651 -8.786 3.456 1.00 0.31 N ATOM 735 CA SER A 49 9.552 -8.149 4.168 1.00 0.32 C ATOM 736 C SER A 49 8.247 -8.289 3.384 1.00 0.35 C ATOM 737 O SER A 49 7.159 -8.040 3.910 1.00 0.40 O ATOM 738 CB SER A 49 9.880 -6.671 4.409 1.00 0.32 C ATOM 739 OG SER A 49 9.828 -5.919 3.211 1.00 0.31 O ATOM 0 H SER A 49 11.312 -8.133 3.034 1.00 0.31 H new ATOM 0 HA SER A 49 9.421 -8.645 5.130 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.176 -6.255 5.130 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.874 -6.586 4.849 1.00 0.32 H new ATOM 0 HG SER A 49 10.595 -6.149 2.647 1.00 0.31 H new ATOM 745 N GLY A 50 8.367 -8.691 2.124 1.00 0.36 N ATOM 746 CA GLY A 50 7.197 -8.891 1.297 1.00 0.43 C ATOM 747 C GLY A 50 7.003 -7.786 0.283 1.00 0.43 C ATOM 748 O GLY A 50 5.878 -7.520 -0.146 1.00 0.62 O ATOM 0 H GLY A 50 9.256 -8.882 1.662 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.284 -9.845 0.777 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.314 -8.954 1.933 1.00 0.43 H new ATOM 752 N LEU A 51 8.093 -7.136 -0.104 1.00 0.41 N ATOM 753 CA LEU A 51 8.026 -6.067 -1.087 1.00 0.40 C ATOM 754 C LEU A 51 7.884 -6.653 -2.488 1.00 0.48 C ATOM 755 O LEU A 51 8.226 -7.815 -2.722 1.00 0.65 O ATOM 756 CB LEU A 51 9.266 -5.174 -0.997 1.00 0.38 C ATOM 757 CG LEU A 51 9.160 -3.836 -1.730 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.993 -3.026 -1.195 1.00 0.38 C ATOM 759 CD2 LEU A 51 10.453 -3.055 -1.590 1.00 0.37 C ATOM 0 H LEU A 51 9.030 -7.331 0.248 1.00 0.41 H new ATOM 0 HA LEU A 51 7.151 -5.452 -0.876 1.00 0.40 H new ATOM 0 HB2 LEU A 51 9.477 -4.978 0.054 1.00 0.38 H new ATOM 0 HB3 LEU A 51 10.119 -5.723 -1.397 1.00 0.38 H new ATOM 0 HG LEU A 51 8.985 -4.035 -2.787 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.934 -2.077 -1.729 1.00 0.38 H new ATOM 0 HD12 LEU A 51 7.067 -3.583 -1.340 1.00 0.38 H new ATOM 0 HD13 LEU A 51 8.139 -2.836 -0.132 1.00 0.38 H new ATOM 0 HD21 LEU A 51 10.363 -2.105 -2.117 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.652 -2.868 -0.535 1.00 0.37 H new ATOM 0 HD23 LEU A 51 11.274 -3.631 -2.018 1.00 0.37 H new ATOM 771 N ARG A 52 7.377 -5.852 -3.408 1.00 0.53 N ATOM 772 CA ARG A 52 7.054 -6.320 -4.746 1.00 0.65 C ATOM 773 C ARG A 52 7.023 -5.124 -5.691 1.00 0.55 C ATOM 774 O ARG A 52 6.934 -3.981 -5.240 1.00 0.61 O ATOM 775 CB ARG A 52 5.698 -7.031 -4.693 1.00 0.86 C ATOM 776 CG ARG A 52 5.274 -7.743 -5.965 1.00 1.23 C ATOM 777 CD ARG A 52 3.955 -8.471 -5.748 1.00 2.05 C ATOM 778 NE ARG A 52 4.034 -9.412 -4.625 1.00 2.59 N ATOM 779 CZ ARG A 52 3.050 -9.620 -3.743 1.00 3.57 C ATOM 780 NH1 ARG A 52 1.905 -8.954 -3.840 1.00 4.13 N ATOM 781 NH2 ARG A 52 3.218 -10.489 -2.753 1.00 4.38 N ATOM 0 H ARG A 52 7.178 -4.864 -3.251 1.00 0.53 H new ATOM 0 HA ARG A 52 7.802 -7.023 -5.113 1.00 0.65 H new ATOM 0 HB2 ARG A 52 5.723 -7.759 -3.883 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.934 -6.297 -4.438 1.00 0.86 H new ATOM 0 HG2 ARG A 52 5.170 -7.022 -6.776 1.00 1.23 H new ATOM 0 HG3 ARG A 52 6.044 -8.453 -6.266 1.00 1.23 H new ATOM 0 HD2 ARG A 52 3.165 -7.744 -5.559 1.00 2.05 H new ATOM 0 HD3 ARG A 52 3.683 -9.009 -6.656 1.00 2.05 H new ATOM 0 HE ARG A 52 4.897 -9.943 -4.509 1.00 2.59 H new ATOM 0 HH11 ARG A 52 1.771 -8.278 -4.591 1.00 4.13 H new ATOM 0 HH12 ARG A 52 1.160 -9.119 -3.163 1.00 4.13 H new ATOM 0 HH21 ARG A 52 4.098 -10.998 -2.665 1.00 4.38 H new ATOM 0 HH22 ARG A 52 2.468 -10.647 -2.081 1.00 4.38 H new ATOM 795 N ALA A 53 7.132 -5.373 -6.987 1.00 0.53 N ATOM 796 CA ALA A 53 7.130 -4.294 -7.963 1.00 0.54 C ATOM 797 C ALA A 53 5.705 -3.876 -8.308 1.00 0.61 C ATOM 798 O ALA A 53 4.786 -4.685 -8.212 1.00 1.44 O ATOM 799 CB ALA A 53 7.880 -4.711 -9.218 1.00 0.68 C ATOM 0 H ALA A 53 7.222 -6.307 -7.386 1.00 0.53 H new ATOM 0 HA ALA A 53 7.639 -3.436 -7.523 1.00 0.54 H new ATOM 0 HB1 ALA A 53 7.869 -3.892 -9.938 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.911 -4.955 -8.962 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.399 -5.585 -9.656 1.00 0.68 H new ATOM 805 N GLN A 54 5.549 -2.605 -8.701 1.00 0.65 N ATOM 806 CA GLN A 54 4.257 -2.024 -9.105 1.00 0.74 C ATOM 807 C GLN A 54 3.409 -1.614 -7.904 1.00 0.59 C ATOM 808 O GLN A 54 2.291 -1.124 -8.071 1.00 0.67 O ATOM 809 CB GLN A 54 3.445 -2.962 -10.009 1.00 0.99 C ATOM 810 CG GLN A 54 4.058 -3.203 -11.377 1.00 1.46 C ATOM 811 CD GLN A 54 3.158 -4.036 -12.271 1.00 2.34 C ATOM 812 OE1 GLN A 54 3.630 -4.784 -13.125 1.00 2.99 O ATOM 813 NE2 GLN A 54 1.852 -3.916 -12.081 1.00 3.06 N ATOM 0 H GLN A 54 6.323 -1.942 -8.749 1.00 0.65 H new ATOM 0 HA GLN A 54 4.508 -1.131 -9.677 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.326 -3.921 -9.504 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.446 -2.545 -10.140 1.00 0.99 H new ATOM 0 HG2 GLN A 54 4.258 -2.245 -11.857 1.00 1.46 H new ATOM 0 HG3 GLN A 54 5.017 -3.707 -11.259 1.00 1.46 H new ATOM 0 HE21 GLN A 54 1.497 -3.285 -11.362 1.00 3.06 H new ATOM 0 HE22 GLN A 54 1.202 -4.455 -12.653 1.00 3.06 H new ATOM 822 N ASP A 55 3.935 -1.803 -6.703 1.00 0.47 N ATOM 823 CA ASP A 55 3.220 -1.400 -5.499 1.00 0.45 C ATOM 824 C ASP A 55 3.456 0.073 -5.208 1.00 0.39 C ATOM 825 O ASP A 55 4.534 0.609 -5.485 1.00 0.48 O ATOM 826 CB ASP A 55 3.658 -2.226 -4.287 1.00 0.50 C ATOM 827 CG ASP A 55 3.217 -3.674 -4.350 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.004 -3.929 -4.237 1.00 1.01 O ATOM 829 OD2 ASP A 55 4.073 -4.561 -4.538 1.00 1.02 O ATOM 0 H ASP A 55 4.846 -2.229 -6.535 1.00 0.47 H new ATOM 0 HA ASP A 55 2.159 -1.574 -5.678 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.744 -2.189 -4.206 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.255 -1.771 -3.382 1.00 0.50 H new ATOM 834 N ARG A 56 2.447 0.728 -4.660 1.00 0.38 N ATOM 835 CA ARG A 56 2.584 2.112 -4.232 1.00 0.42 C ATOM 836 C ARG A 56 2.646 2.170 -2.715 1.00 0.39 C ATOM 837 O ARG A 56 1.887 1.481 -2.032 1.00 0.39 O ATOM 838 CB ARG A 56 1.411 2.967 -4.719 1.00 0.56 C ATOM 839 CG ARG A 56 1.591 4.456 -4.443 1.00 0.78 C ATOM 840 CD ARG A 56 0.298 5.233 -4.631 1.00 0.79 C ATOM 841 NE ARG A 56 -0.639 5.013 -3.531 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.745 4.285 -3.626 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.051 3.672 -4.762 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.547 4.175 -2.581 1.00 1.57 N ATOM 0 H ARG A 56 1.524 0.325 -4.500 1.00 0.38 H new ATOM 0 HA ARG A 56 3.502 2.509 -4.665 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.282 2.817 -5.791 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.496 2.624 -4.237 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.952 4.594 -3.424 1.00 0.78 H new ATOM 0 HG3 ARG A 56 2.355 4.858 -5.109 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.523 6.297 -4.708 1.00 0.79 H new ATOM 0 HD3 ARG A 56 -0.170 4.937 -5.570 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.429 5.447 -2.632 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.435 3.758 -5.570 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.903 3.114 -4.827 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -2.315 4.648 -1.708 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.398 3.617 -2.648 1.00 1.57 H new ATOM 858 N ILE A 57 3.549 2.982 -2.192 1.00 0.40 N ATOM 859 CA ILE A 57 3.661 3.149 -0.753 1.00 0.38 C ATOM 860 C ILE A 57 2.546 4.052 -0.251 1.00 0.38 C ATOM 861 O ILE A 57 2.393 5.184 -0.712 1.00 0.49 O ATOM 862 CB ILE A 57 5.028 3.741 -0.357 1.00 0.46 C ATOM 863 CG1 ILE A 57 6.158 2.875 -0.923 1.00 0.53 C ATOM 864 CG2 ILE A 57 5.142 3.844 1.157 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.545 3.418 -0.649 1.00 0.68 C ATOM 0 H ILE A 57 4.211 3.533 -2.738 1.00 0.40 H new ATOM 0 HA ILE A 57 3.574 2.165 -0.293 1.00 0.38 H new ATOM 0 HB ILE A 57 5.113 4.744 -0.776 1.00 0.46 H new ATOM 0 HG12 ILE A 57 6.081 1.873 -0.500 1.00 0.53 H new ATOM 0 HG13 ILE A 57 6.023 2.778 -2.000 1.00 0.53 H new ATOM 0 HG21 ILE A 57 6.113 4.264 1.421 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.351 4.490 1.538 1.00 0.45 H new ATOM 0 HG23 ILE A 57 5.044 2.852 1.598 1.00 0.45 H new ATOM 0 HD11 ILE A 57 8.289 2.749 -1.081 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.643 4.407 -1.096 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.702 3.489 0.427 1.00 0.68 H new ATOM 877 N VAL A 58 1.769 3.536 0.684 1.00 0.29 N ATOM 878 CA VAL A 58 0.657 4.271 1.255 1.00 0.32 C ATOM 879 C VAL A 58 1.055 4.861 2.599 1.00 0.30 C ATOM 880 O VAL A 58 0.862 6.048 2.855 1.00 0.37 O ATOM 881 CB VAL A 58 -0.577 3.365 1.445 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.756 4.167 1.970 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.937 2.668 0.142 1.00 0.62 C ATOM 0 H VAL A 58 1.891 2.599 1.067 1.00 0.29 H new ATOM 0 HA VAL A 58 0.398 5.071 0.561 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.330 2.601 2.182 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.616 3.509 2.097 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.495 4.612 2.930 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.004 4.956 1.260 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.810 2.034 0.298 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.162 3.414 -0.620 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.098 2.055 -0.187 1.00 0.62 H new ATOM 893 N GLU A 59 1.621 4.021 3.456 1.00 0.24 N ATOM 894 CA GLU A 59 2.072 4.463 4.768 1.00 0.25 C ATOM 895 C GLU A 59 3.530 4.086 4.983 1.00 0.22 C ATOM 896 O GLU A 59 3.975 3.024 4.545 1.00 0.23 O ATOM 897 CB GLU A 59 1.221 3.861 5.895 1.00 0.29 C ATOM 898 CG GLU A 59 -0.259 4.200 5.812 1.00 0.40 C ATOM 899 CD GLU A 59 -0.968 4.046 7.145 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.385 2.921 7.483 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.114 5.058 7.862 1.00 0.89 O ATOM 0 H GLU A 59 1.778 3.031 3.266 1.00 0.24 H new ATOM 0 HA GLU A 59 1.964 5.547 4.797 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.335 2.777 5.881 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.608 4.209 6.852 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.374 5.225 5.460 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.735 3.554 5.074 1.00 0.40 H new ATOM 908 N VAL A 60 4.268 4.965 5.646 1.00 0.22 N ATOM 909 CA VAL A 60 5.653 4.698 6.000 1.00 0.21 C ATOM 910 C VAL A 60 5.818 4.763 7.510 1.00 0.22 C ATOM 911 O VAL A 60 5.559 5.795 8.117 1.00 0.27 O ATOM 912 CB VAL A 60 6.633 5.700 5.349 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.071 5.323 5.674 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.425 5.766 3.844 1.00 0.66 C ATOM 0 H VAL A 60 3.926 5.876 5.951 1.00 0.22 H new ATOM 0 HA VAL A 60 5.892 3.702 5.626 1.00 0.21 H new ATOM 0 HB VAL A 60 6.431 6.689 5.760 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.749 6.038 5.208 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.215 5.337 6.754 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.280 4.324 5.293 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.127 6.478 3.411 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.593 4.780 3.410 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.405 6.087 3.631 1.00 0.66 H new ATOM 924 N ASN A 61 6.222 3.650 8.108 1.00 0.25 N ATOM 925 CA ASN A 61 6.423 3.562 9.556 1.00 0.30 C ATOM 926 C ASN A 61 5.127 3.856 10.306 1.00 0.36 C ATOM 927 O ASN A 61 5.145 4.374 11.419 1.00 0.47 O ATOM 928 CB ASN A 61 7.526 4.522 10.028 1.00 0.39 C ATOM 929 CG ASN A 61 8.858 4.284 9.342 1.00 0.53 C ATOM 930 OD1 ASN A 61 9.178 3.165 8.931 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.647 5.339 9.218 1.00 0.61 N ATOM 0 H ASN A 61 6.420 2.783 7.609 1.00 0.25 H new ATOM 0 HA ASN A 61 6.736 2.541 9.777 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.208 5.548 9.845 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.655 4.416 11.105 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.558 5.245 8.769 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.344 6.247 9.572 1.00 0.61 H new ATOM 938 N GLY A 62 4.004 3.529 9.678 1.00 0.37 N ATOM 939 CA GLY A 62 2.716 3.678 10.329 1.00 0.50 C ATOM 940 C GLY A 62 2.035 5.009 10.053 1.00 0.51 C ATOM 941 O GLY A 62 0.909 5.230 10.496 1.00 0.66 O ATOM 0 H GLY A 62 3.962 3.162 8.727 1.00 0.37 H new ATOM 0 HA2 GLY A 62 2.060 2.871 10.003 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.849 3.566 11.405 1.00 0.50 H new ATOM 945 N VAL A 63 2.697 5.905 9.331 1.00 0.42 N ATOM 946 CA VAL A 63 2.073 7.172 8.961 1.00 0.50 C ATOM 947 C VAL A 63 1.852 7.260 7.453 1.00 0.43 C ATOM 948 O VAL A 63 2.755 7.005 6.651 1.00 0.39 O ATOM 949 CB VAL A 63 2.875 8.397 9.468 1.00 0.61 C ATOM 950 CG1 VAL A 63 4.302 8.384 8.955 1.00 0.98 C ATOM 951 CG2 VAL A 63 2.180 9.693 9.083 1.00 1.17 C ATOM 0 H VAL A 63 3.652 5.782 8.994 1.00 0.42 H new ATOM 0 HA VAL A 63 1.102 7.196 9.455 1.00 0.50 H new ATOM 0 HB VAL A 63 2.915 8.334 10.555 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.832 9.259 9.332 1.00 0.98 H new ATOM 0 HG12 VAL A 63 4.804 7.479 9.299 1.00 0.98 H new ATOM 0 HG13 VAL A 63 4.297 8.405 7.865 1.00 0.98 H new ATOM 0 HG21 VAL A 63 2.760 10.540 9.449 1.00 1.17 H new ATOM 0 HG22 VAL A 63 2.096 9.752 7.998 1.00 1.17 H new ATOM 0 HG23 VAL A 63 1.184 9.717 9.526 1.00 1.17 H new ATOM 961 N CYS A 64 0.626 7.598 7.086 1.00 0.49 N ATOM 962 CA CYS A 64 0.200 7.647 5.700 1.00 0.49 C ATOM 963 C CYS A 64 0.826 8.816 4.951 1.00 0.47 C ATOM 964 O CYS A 64 0.911 9.933 5.464 1.00 0.51 O ATOM 965 CB CYS A 64 -1.326 7.715 5.640 1.00 0.59 C ATOM 966 SG CYS A 64 -2.057 8.967 6.722 1.00 1.68 S ATOM 0 H CYS A 64 -0.107 7.848 7.750 1.00 0.49 H new ATOM 0 HA CYS A 64 0.543 6.738 5.205 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.629 7.917 4.613 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.732 6.739 5.906 1.00 0.59 H new ATOM 0 HG CYS A 64 -1.266 9.997 6.790 1.00 1.68 H new ATOM 972 N MET A 65 1.264 8.538 3.733 1.00 0.48 N ATOM 973 CA MET A 65 1.935 9.524 2.901 1.00 0.53 C ATOM 974 C MET A 65 1.112 9.845 1.663 1.00 0.61 C ATOM 975 O MET A 65 1.595 10.501 0.742 1.00 0.81 O ATOM 976 CB MET A 65 3.316 9.012 2.494 1.00 0.61 C ATOM 977 CG MET A 65 4.279 8.907 3.658 1.00 0.63 C ATOM 978 SD MET A 65 4.649 10.511 4.392 1.00 0.61 S ATOM 979 CE MET A 65 5.448 10.005 5.907 1.00 0.74 C ATOM 0 H MET A 65 1.164 7.623 3.294 1.00 0.48 H new ATOM 0 HA MET A 65 2.048 10.440 3.481 1.00 0.53 H new ATOM 0 HB2 MET A 65 3.211 8.032 2.028 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.737 9.679 1.742 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.855 8.252 4.419 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.205 8.444 3.319 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.249 10.704 6.147 1.00 0.74 H new ATOM 0 HE2 MET A 65 4.719 9.996 6.717 1.00 0.74 H new ATOM 0 HE3 MET A 65 5.864 9.005 5.783 1.00 0.74 H new ATOM 989 N GLU A 66 -0.135 9.389 1.654 1.00 0.83 N ATOM 990 CA GLU A 66 -1.036 9.637 0.533 1.00 1.01 C ATOM 991 C GLU A 66 -1.237 11.131 0.304 1.00 1.08 C ATOM 992 O GLU A 66 -1.178 11.610 -0.827 1.00 1.86 O ATOM 993 CB GLU A 66 -2.389 8.967 0.771 1.00 1.29 C ATOM 994 CG GLU A 66 -2.374 7.458 0.588 1.00 2.19 C ATOM 995 CD GLU A 66 -2.009 7.046 -0.827 1.00 3.03 C ATOM 996 OE1 GLU A 66 -2.491 7.688 -1.781 1.00 3.33 O ATOM 997 OE2 GLU A 66 -1.237 6.076 -0.987 1.00 3.75 O ATOM 0 H GLU A 66 -0.547 8.844 2.412 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.576 9.209 -0.358 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.723 9.196 1.783 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -3.121 9.398 0.088 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -1.662 7.018 1.286 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.356 7.055 0.838 1.00 2.19 H new ATOM 1004 N GLY A 67 -1.469 11.863 1.384 1.00 1.21 N ATOM 1005 CA GLY A 67 -1.700 13.290 1.275 1.00 1.36 C ATOM 1006 C GLY A 67 -0.426 14.100 1.418 1.00 1.24 C ATOM 1007 O GLY A 67 -0.454 15.330 1.368 1.00 1.47 O ATOM 0 H GLY A 67 -1.502 11.495 2.335 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -2.158 13.507 0.310 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -2.410 13.599 2.042 1.00 1.36 H new ATOM 1011 N LYS A 68 0.695 13.407 1.576 1.00 0.97 N ATOM 1012 CA LYS A 68 1.983 14.058 1.784 1.00 0.87 C ATOM 1013 C LYS A 68 2.672 14.303 0.445 1.00 0.90 C ATOM 1014 O LYS A 68 2.134 13.953 -0.608 1.00 1.06 O ATOM 1015 CB LYS A 68 2.873 13.193 2.679 1.00 0.73 C ATOM 1016 CG LYS A 68 2.200 12.743 3.968 1.00 1.24 C ATOM 1017 CD LYS A 68 1.887 13.905 4.892 1.00 2.01 C ATOM 1018 CE LYS A 68 1.194 13.420 6.154 1.00 2.81 C ATOM 1019 NZ LYS A 68 0.948 14.520 7.120 1.00 3.36 N ATOM 0 H LYS A 68 0.738 12.388 1.564 1.00 0.97 H new ATOM 0 HA LYS A 68 1.814 15.017 2.274 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.188 12.313 2.119 1.00 0.73 H new ATOM 0 HB3 LYS A 68 3.775 13.753 2.928 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.278 12.214 3.728 1.00 1.24 H new ATOM 0 HG3 LYS A 68 2.848 12.035 4.485 1.00 1.24 H new ATOM 0 HD2 LYS A 68 2.808 14.425 5.155 1.00 2.01 H new ATOM 0 HD3 LYS A 68 1.251 14.624 4.376 1.00 2.01 H new ATOM 0 HE2 LYS A 68 0.245 12.954 5.888 1.00 2.81 H new ATOM 0 HE3 LYS A 68 1.805 12.652 6.629 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 0.474 14.141 7.964 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 1.854 14.949 7.395 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 0.343 15.241 6.678 1.00 3.36 H new ATOM 1033 N GLN A 69 3.855 14.901 0.485 1.00 0.87 N ATOM 1034 CA GLN A 69 4.579 15.227 -0.734 1.00 0.93 C ATOM 1035 C GLN A 69 5.844 14.386 -0.876 1.00 0.81 C ATOM 1036 O GLN A 69 6.203 13.640 0.037 1.00 0.74 O ATOM 1037 CB GLN A 69 4.916 16.717 -0.763 1.00 1.07 C ATOM 1038 CG GLN A 69 3.688 17.605 -0.857 1.00 1.33 C ATOM 1039 CD GLN A 69 2.920 17.391 -2.148 1.00 2.12 C ATOM 1040 OE1 GLN A 69 3.502 17.088 -3.190 1.00 2.64 O ATOM 1041 NE2 GLN A 69 1.608 17.535 -2.086 1.00 2.89 N ATOM 0 H GLN A 69 4.332 15.169 1.346 1.00 0.87 H new ATOM 0 HA GLN A 69 3.934 14.994 -1.581 1.00 0.93 H new ATOM 0 HB2 GLN A 69 5.475 16.974 0.137 1.00 1.07 H new ATOM 0 HB3 GLN A 69 5.569 16.919 -1.612 1.00 1.07 H new ATOM 0 HG2 GLN A 69 3.032 17.405 -0.009 1.00 1.33 H new ATOM 0 HG3 GLN A 69 3.991 18.650 -0.786 1.00 1.33 H new ATOM 0 HE21 GLN A 69 1.164 17.787 -1.203 1.00 2.89 H new ATOM 0 HE22 GLN A 69 1.039 17.394 -2.921 1.00 2.89 H new ATOM 1050 N HIS A 70 6.519 14.525 -2.012 1.00 0.84 N ATOM 1051 CA HIS A 70 7.682 13.699 -2.343 1.00 0.79 C ATOM 1052 C HIS A 70 8.739 13.754 -1.238 1.00 0.70 C ATOM 1053 O HIS A 70 9.285 12.724 -0.832 1.00 0.65 O ATOM 1054 CB HIS A 70 8.281 14.175 -3.675 1.00 0.88 C ATOM 1055 CG HIS A 70 9.415 13.335 -4.191 1.00 0.90 C ATOM 1056 ND1 HIS A 70 9.328 12.579 -5.341 1.00 1.42 N ATOM 1057 CD2 HIS A 70 10.675 13.157 -3.724 1.00 1.37 C ATOM 1058 CE1 HIS A 70 10.480 11.972 -5.553 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.313 12.306 -4.588 1.00 1.13 N ATOM 0 H HIS A 70 6.279 15.210 -2.729 1.00 0.84 H new ATOM 0 HA HIS A 70 7.356 12.663 -2.435 1.00 0.79 H new ATOM 0 HB2 HIS A 70 7.491 14.195 -4.426 1.00 0.88 H new ATOM 0 HB3 HIS A 70 8.632 15.200 -3.554 1.00 0.88 H new ATOM 0 HD2 HIS A 70 11.098 13.603 -2.836 1.00 1.37 H new ATOM 0 HE1 HIS A 70 10.703 11.312 -6.379 1.00 1.31 H new ATOM 0 HE2 HIS A 70 12.276 11.983 -4.499 1.00 1.13 H new ATOM 1068 N GLY A 71 8.997 14.953 -0.737 1.00 0.72 N ATOM 1069 CA GLY A 71 10.018 15.133 0.276 1.00 0.69 C ATOM 1070 C GLY A 71 9.668 14.475 1.595 1.00 0.62 C ATOM 1071 O GLY A 71 10.555 14.031 2.325 1.00 0.62 O ATOM 0 H GLY A 71 8.516 15.808 -1.015 1.00 0.72 H new ATOM 0 HA2 GLY A 71 10.960 14.723 -0.089 1.00 0.69 H new ATOM 0 HA3 GLY A 71 10.176 16.199 0.439 1.00 0.69 H new ATOM 1075 N ASP A 72 8.378 14.402 1.899 1.00 0.61 N ATOM 1076 CA ASP A 72 7.922 13.821 3.156 1.00 0.58 C ATOM 1077 C ASP A 72 8.119 12.312 3.157 1.00 0.49 C ATOM 1078 O ASP A 72 8.629 11.741 4.121 1.00 0.44 O ATOM 1079 CB ASP A 72 6.447 14.147 3.406 1.00 0.68 C ATOM 1080 CG ASP A 72 6.195 15.627 3.594 1.00 1.16 C ATOM 1081 OD1 ASP A 72 6.477 16.150 4.696 1.00 1.47 O ATOM 1082 OD2 ASP A 72 5.725 16.276 2.641 1.00 2.03 O ATOM 0 H ASP A 72 7.629 14.738 1.293 1.00 0.61 H new ATOM 0 HA ASP A 72 8.520 14.257 3.957 1.00 0.58 H new ATOM 0 HB2 ASP A 72 5.853 13.786 2.566 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.106 13.610 4.291 1.00 0.68 H new ATOM 1087 N VAL A 73 7.725 11.677 2.061 1.00 0.50 N ATOM 1088 CA VAL A 73 7.807 10.226 1.940 1.00 0.45 C ATOM 1089 C VAL A 73 9.256 9.750 2.019 1.00 0.44 C ATOM 1090 O VAL A 73 9.575 8.819 2.759 1.00 0.43 O ATOM 1091 CB VAL A 73 7.191 9.739 0.613 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.129 8.218 0.568 1.00 1.08 C ATOM 1093 CG2 VAL A 73 5.809 10.340 0.413 1.00 0.97 C ATOM 0 H VAL A 73 7.344 12.146 1.239 1.00 0.50 H new ATOM 0 HA VAL A 73 7.242 9.805 2.772 1.00 0.45 H new ATOM 0 HB VAL A 73 7.832 10.074 -0.202 1.00 0.51 H new ATOM 0 HG11 VAL A 73 6.691 7.900 -0.378 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.136 7.810 0.657 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.516 7.854 1.393 1.00 1.08 H new ATOM 0 HG21 VAL A 73 5.391 9.985 -0.529 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.159 10.040 1.235 1.00 0.97 H new ATOM 0 HG23 VAL A 73 5.885 11.427 0.389 1.00 0.97 H new ATOM 1103 N VAL A 74 10.131 10.418 1.275 1.00 0.49 N ATOM 1104 CA VAL A 74 11.541 10.050 1.227 1.00 0.53 C ATOM 1105 C VAL A 74 12.205 10.228 2.592 1.00 0.51 C ATOM 1106 O VAL A 74 13.017 9.401 3.011 1.00 0.52 O ATOM 1107 CB VAL A 74 12.298 10.881 0.165 1.00 0.64 C ATOM 1108 CG1 VAL A 74 13.786 10.561 0.172 1.00 0.72 C ATOM 1109 CG2 VAL A 74 11.711 10.632 -1.217 1.00 0.70 C ATOM 0 H VAL A 74 9.887 11.220 0.695 1.00 0.49 H new ATOM 0 HA VAL A 74 11.591 8.997 0.949 1.00 0.53 H new ATOM 0 HB VAL A 74 12.179 11.935 0.416 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.291 11.161 -0.585 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.203 10.789 1.153 1.00 0.72 H new ATOM 0 HG13 VAL A 74 13.932 9.503 -0.047 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.253 11.223 -1.955 1.00 0.70 H new ATOM 0 HG22 VAL A 74 11.799 9.574 -1.464 1.00 0.70 H new ATOM 0 HG23 VAL A 74 10.660 10.920 -1.223 1.00 0.70 H new ATOM 1119 N SER A 75 11.839 11.294 3.289 1.00 0.51 N ATOM 1120 CA SER A 75 12.419 11.589 4.590 1.00 0.52 C ATOM 1121 C SER A 75 11.977 10.556 5.623 1.00 0.47 C ATOM 1122 O SER A 75 12.769 10.122 6.459 1.00 0.51 O ATOM 1123 CB SER A 75 12.017 12.997 5.035 1.00 0.58 C ATOM 1124 OG SER A 75 12.746 13.405 6.178 1.00 0.66 O ATOM 0 H SER A 75 11.142 11.969 2.974 1.00 0.51 H new ATOM 0 HA SER A 75 13.505 11.543 4.506 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.190 13.701 4.221 1.00 0.58 H new ATOM 0 HB3 SER A 75 10.950 13.020 5.255 1.00 0.58 H new ATOM 0 HG SER A 75 12.469 14.308 6.438 1.00 0.66 H new ATOM 1130 N ALA A 76 10.715 10.144 5.536 1.00 0.42 N ATOM 1131 CA ALA A 76 10.149 9.182 6.476 1.00 0.39 C ATOM 1132 C ALA A 76 10.895 7.852 6.438 1.00 0.37 C ATOM 1133 O ALA A 76 11.109 7.222 7.474 1.00 0.39 O ATOM 1134 CB ALA A 76 8.678 8.962 6.176 1.00 0.39 C ATOM 0 H ALA A 76 10.062 10.464 4.820 1.00 0.42 H new ATOM 0 HA ALA A 76 10.256 9.596 7.479 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.266 8.242 6.883 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.143 9.907 6.267 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.567 8.578 5.162 1.00 0.39 H new ATOM 1140 N ILE A 77 11.290 7.429 5.241 1.00 0.37 N ATOM 1141 CA ILE A 77 12.047 6.193 5.077 1.00 0.39 C ATOM 1142 C ILE A 77 13.362 6.266 5.852 1.00 0.41 C ATOM 1143 O ILE A 77 13.749 5.322 6.542 1.00 0.44 O ATOM 1144 CB ILE A 77 12.340 5.919 3.588 1.00 0.45 C ATOM 1145 CG1 ILE A 77 11.032 5.915 2.792 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.073 4.595 3.417 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.234 5.919 1.292 1.00 0.69 C ATOM 0 H ILE A 77 11.098 7.924 4.370 1.00 0.37 H new ATOM 0 HA ILE A 77 11.442 5.376 5.471 1.00 0.39 H new ATOM 0 HB ILE A 77 12.983 6.712 3.207 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.451 5.036 3.069 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.443 6.788 3.073 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.269 4.422 2.359 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.017 4.629 3.961 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.458 3.785 3.809 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.264 5.916 0.794 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.788 6.812 1.002 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.796 5.032 0.998 1.00 0.69 H new ATOM 1159 N ARG A 78 14.022 7.411 5.754 1.00 0.43 N ATOM 1160 CA ARG A 78 15.288 7.633 6.441 1.00 0.50 C ATOM 1161 C ARG A 78 15.066 7.771 7.943 1.00 0.50 C ATOM 1162 O ARG A 78 15.892 7.336 8.750 1.00 0.56 O ATOM 1163 CB ARG A 78 15.973 8.889 5.902 1.00 0.58 C ATOM 1164 CG ARG A 78 16.259 8.839 4.412 1.00 0.66 C ATOM 1165 CD ARG A 78 16.977 10.091 3.944 1.00 0.89 C ATOM 1166 NE ARG A 78 17.225 10.075 2.503 1.00 1.59 N ATOM 1167 CZ ARG A 78 17.885 11.028 1.853 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.409 12.048 2.518 1.00 2.12 N ATOM 1169 NH2 ARG A 78 18.027 10.952 0.536 1.00 3.09 N ATOM 0 H ARG A 78 13.700 8.206 5.202 1.00 0.43 H new ATOM 0 HA ARG A 78 15.930 6.771 6.258 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.344 9.754 6.113 1.00 0.58 H new ATOM 0 HB3 ARG A 78 16.910 9.039 6.438 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.867 7.963 4.186 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.323 8.728 3.864 1.00 0.66 H new ATOM 0 HD2 ARG A 78 16.381 10.967 4.199 1.00 0.89 H new ATOM 0 HD3 ARG A 78 17.925 10.185 4.474 1.00 0.89 H new ATOM 0 HE ARG A 78 16.870 9.285 1.964 1.00 1.59 H new ATOM 0 HH11 ARG A 78 18.306 12.103 3.531 1.00 2.12 H new ATOM 0 HH12 ARG A 78 18.915 12.778 2.016 1.00 2.12 H new ATOM 0 HH21 ARG A 78 17.630 10.164 0.025 1.00 3.09 H new ATOM 0 HH22 ARG A 78 18.533 11.682 0.035 1.00 3.09 H new ATOM 1183 N ALA A 79 13.936 8.366 8.308 1.00 0.47 N ATOM 1184 CA ALA A 79 13.586 8.590 9.707 1.00 0.51 C ATOM 1185 C ALA A 79 13.310 7.276 10.429 1.00 0.43 C ATOM 1186 O ALA A 79 13.278 7.231 11.659 1.00 0.46 O ATOM 1187 CB ALA A 79 12.378 9.512 9.809 1.00 0.65 C ATOM 0 H ALA A 79 13.239 8.706 7.646 1.00 0.47 H new ATOM 0 HA ALA A 79 14.438 9.066 10.192 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.128 9.670 10.858 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.611 10.470 9.343 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.529 9.057 9.299 1.00 0.65 H new ATOM 1193 N GLY A 80 13.110 6.212 9.660 1.00 0.41 N ATOM 1194 CA GLY A 80 12.904 4.900 10.245 1.00 0.42 C ATOM 1195 C GLY A 80 14.124 4.429 11.009 1.00 0.46 C ATOM 1196 O GLY A 80 14.009 3.714 12.007 1.00 0.60 O ATOM 0 H GLY A 80 13.087 6.234 8.641 1.00 0.41 H new ATOM 0 HA2 GLY A 80 12.045 4.931 10.915 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.669 4.184 9.458 1.00 0.42 H new ATOM 1200 N GLY A 81 15.295 4.848 10.548 1.00 0.49 N ATOM 1201 CA GLY A 81 16.529 4.477 11.204 1.00 0.63 C ATOM 1202 C GLY A 81 17.169 3.267 10.572 1.00 0.64 C ATOM 1203 O GLY A 81 17.633 3.327 9.435 1.00 1.10 O ATOM 0 H GLY A 81 15.410 5.442 9.727 1.00 0.49 H new ATOM 0 HA2 GLY A 81 17.225 5.315 11.166 1.00 0.63 H new ATOM 0 HA3 GLY A 81 16.332 4.274 12.257 1.00 0.63 H new ATOM 1207 N ASP A 82 17.185 2.165 11.300 1.00 0.43 N ATOM 1208 CA ASP A 82 17.803 0.940 10.818 1.00 0.44 C ATOM 1209 C ASP A 82 16.765 0.027 10.186 1.00 0.39 C ATOM 1210 O ASP A 82 17.106 -0.993 9.593 1.00 0.55 O ATOM 1211 CB ASP A 82 18.516 0.205 11.958 1.00 0.55 C ATOM 1212 CG ASP A 82 19.736 0.950 12.467 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.823 0.790 11.875 1.00 2.12 O ATOM 1214 OD2 ASP A 82 19.614 1.699 13.461 1.00 1.97 O ATOM 0 H ASP A 82 16.776 2.092 12.231 1.00 0.43 H new ATOM 0 HA ASP A 82 18.539 1.213 10.062 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.817 0.056 12.781 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.818 -0.784 11.614 1.00 0.55 H new ATOM 1219 N GLU A 83 15.499 0.389 10.325 1.00 0.38 N ATOM 1220 CA GLU A 83 14.423 -0.375 9.724 1.00 0.39 C ATOM 1221 C GLU A 83 13.245 0.527 9.385 1.00 0.38 C ATOM 1222 O GLU A 83 13.144 1.646 9.885 1.00 0.53 O ATOM 1223 CB GLU A 83 13.996 -1.528 10.644 1.00 0.47 C ATOM 1224 CG GLU A 83 13.632 -1.122 12.067 1.00 0.86 C ATOM 1225 CD GLU A 83 12.206 -0.621 12.208 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.264 -1.418 12.007 1.00 2.11 O ATOM 1227 OE2 GLU A 83 12.019 0.564 12.552 1.00 2.00 O ATOM 0 H GLU A 83 15.194 1.209 10.850 1.00 0.38 H new ATOM 0 HA GLU A 83 14.788 -0.809 8.793 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.139 -2.031 10.196 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.806 -2.256 10.687 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.775 -1.977 12.728 1.00 0.86 H new ATOM 0 HG3 GLU A 83 14.317 -0.343 12.400 1.00 0.86 H new ATOM 1234 N THR A 84 12.367 0.045 8.526 1.00 0.27 N ATOM 1235 CA THR A 84 11.225 0.823 8.089 1.00 0.26 C ATOM 1236 C THR A 84 10.058 -0.097 7.746 1.00 0.22 C ATOM 1237 O THR A 84 10.256 -1.251 7.350 1.00 0.21 O ATOM 1238 CB THR A 84 11.583 1.715 6.873 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.468 2.543 6.504 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.002 0.870 5.679 1.00 0.30 C ATOM 0 H THR A 84 12.424 -0.887 8.115 1.00 0.27 H new ATOM 0 HA THR A 84 10.931 1.477 8.910 1.00 0.26 H new ATOM 0 HB THR A 84 12.419 2.349 7.167 1.00 0.30 H new ATOM 0 HG1 THR A 84 9.969 2.797 7.308 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.247 1.522 4.840 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.876 0.274 5.944 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.183 0.208 5.397 1.00 0.30 H new ATOM 1248 N LYS A 85 8.847 0.398 7.943 1.00 0.24 N ATOM 1249 CA LYS A 85 7.656 -0.374 7.637 1.00 0.23 C ATOM 1250 C LYS A 85 6.887 0.295 6.509 1.00 0.23 C ATOM 1251 O LYS A 85 6.419 1.423 6.651 1.00 0.26 O ATOM 1252 CB LYS A 85 6.766 -0.493 8.875 1.00 0.28 C ATOM 1253 CG LYS A 85 7.528 -0.900 10.121 1.00 0.37 C ATOM 1254 CD LYS A 85 6.621 -0.976 11.332 1.00 0.50 C ATOM 1255 CE LYS A 85 7.368 -0.632 12.610 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.611 -1.427 12.780 1.00 1.63 N ATOM 0 H LYS A 85 8.664 1.331 8.313 1.00 0.24 H new ATOM 0 HA LYS A 85 7.955 -1.375 7.325 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.274 0.463 9.054 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.981 -1.224 8.682 1.00 0.28 H new ATOM 0 HG2 LYS A 85 8.000 -1.869 9.959 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.327 -0.183 10.309 1.00 0.37 H new ATOM 0 HD2 LYS A 85 5.783 -0.291 11.204 1.00 0.50 H new ATOM 0 HD3 LYS A 85 6.203 -1.979 11.412 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.618 0.429 12.605 1.00 0.78 H new ATOM 0 HE3 LYS A 85 6.714 -0.801 13.465 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.859 -1.472 13.789 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 8.460 -2.390 12.417 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 9.386 -0.976 12.253 1.00 1.63 H new ATOM 1270 N LEU A 86 6.756 -0.397 5.396 1.00 0.22 N ATOM 1271 CA LEU A 86 6.073 0.151 4.241 1.00 0.22 C ATOM 1272 C LEU A 86 4.727 -0.527 4.054 1.00 0.22 C ATOM 1273 O LEU A 86 4.633 -1.753 4.054 1.00 0.27 O ATOM 1274 CB LEU A 86 6.930 -0.017 2.982 1.00 0.24 C ATOM 1275 CG LEU A 86 8.289 0.688 3.021 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.056 0.430 1.736 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.111 2.185 3.243 1.00 0.28 C ATOM 0 H LEU A 86 7.115 -1.343 5.266 1.00 0.22 H new ATOM 0 HA LEU A 86 5.909 1.215 4.410 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.095 -1.081 2.813 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.368 0.358 2.126 1.00 0.24 H new ATOM 0 HG LEU A 86 8.862 0.283 3.855 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.020 0.938 1.779 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.216 -0.642 1.616 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.484 0.808 0.889 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.088 2.668 3.268 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.519 2.605 2.430 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.599 2.354 4.190 1.00 0.28 H new ATOM 1289 N LEU A 87 3.686 0.268 3.903 1.00 0.20 N ATOM 1290 CA LEU A 87 2.362 -0.267 3.653 1.00 0.21 C ATOM 1291 C LEU A 87 2.020 -0.085 2.190 1.00 0.21 C ATOM 1292 O LEU A 87 1.932 1.041 1.703 1.00 0.26 O ATOM 1293 CB LEU A 87 1.314 0.434 4.518 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.113 -0.087 4.340 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.251 -1.478 4.931 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.109 0.865 4.971 1.00 0.45 C ATOM 0 H LEU A 87 3.731 1.286 3.949 1.00 0.20 H new ATOM 0 HA LEU A 87 2.360 -1.327 3.908 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.597 0.328 5.565 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.328 1.500 4.290 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.327 -0.147 3.273 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.273 -1.832 4.795 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.438 -2.157 4.428 1.00 0.51 H new ATOM 0 HD13 LEU A 87 -0.017 -1.446 5.995 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.119 0.478 4.835 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.897 0.960 6.036 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -1.028 1.843 4.497 1.00 0.45 H new ATOM 1308 N VAL A 88 1.841 -1.192 1.496 1.00 0.20 N ATOM 1309 CA VAL A 88 1.586 -1.162 0.067 1.00 0.23 C ATOM 1310 C VAL A 88 0.337 -1.962 -0.275 1.00 0.24 C ATOM 1311 O VAL A 88 -0.134 -2.777 0.528 1.00 0.27 O ATOM 1312 CB VAL A 88 2.786 -1.713 -0.732 1.00 0.28 C ATOM 1313 CG1 VAL A 88 3.974 -0.769 -0.645 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.174 -3.096 -0.234 1.00 0.33 C ATOM 0 H VAL A 88 1.867 -2.128 1.900 1.00 0.20 H new ATOM 0 HA VAL A 88 1.433 -0.120 -0.212 1.00 0.23 H new ATOM 0 HB VAL A 88 2.486 -1.792 -1.777 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.807 -1.179 -1.216 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.697 0.203 -1.054 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.271 -0.653 0.397 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.022 -3.466 -0.811 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.449 -3.040 0.819 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.330 -3.776 -0.353 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.203 -1.708 -1.457 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.396 -2.392 -1.928 1.00 0.27 C ATOM 1326 C VAL A 89 -1.219 -2.858 -3.366 1.00 0.34 C ATOM 1327 O VAL A 89 -0.751 -2.102 -4.220 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.649 -1.486 -1.849 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -3.101 -1.305 -0.410 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.387 -0.130 -2.487 1.00 0.30 C ATOM 0 H VAL A 89 0.172 -1.024 -2.114 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.543 -3.252 -1.274 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.446 -1.981 -2.404 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.983 -0.665 -0.383 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.345 -2.277 0.020 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.300 -0.844 0.168 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.284 0.485 -2.417 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.567 0.365 -1.967 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -2.122 -0.266 -3.535 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.586 -4.107 -3.621 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.572 -4.649 -4.971 1.00 0.51 C ATOM 1342 C ASP A 90 -2.697 -4.021 -5.772 1.00 0.48 C ATOM 1343 O ASP A 90 -3.695 -3.602 -5.184 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.730 -6.170 -4.949 1.00 0.68 C ATOM 1345 CG ASP A 90 -0.523 -6.873 -4.365 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -0.495 -7.077 -3.131 1.00 1.92 O ATOM 1347 OD2 ASP A 90 0.399 -7.219 -5.136 1.00 1.86 O ATOM 0 H ASP A 90 -1.898 -4.765 -2.907 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.614 -4.416 -5.436 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -2.614 -6.431 -4.368 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -1.899 -6.529 -5.964 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.551 -3.960 -7.091 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.477 -3.194 -7.924 1.00 0.61 C ATOM 1354 C ARG A 91 -4.936 -3.575 -7.669 1.00 0.55 C ATOM 1355 O ARG A 91 -5.791 -2.701 -7.576 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.162 -3.344 -9.412 1.00 0.75 C ATOM 1357 CG ARG A 91 -4.030 -2.443 -10.268 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.781 -2.619 -11.751 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.693 -1.785 -12.526 1.00 2.25 N ATOM 1360 CZ ARG A 91 -4.981 -1.973 -13.807 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -4.399 -2.944 -14.495 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -5.857 -1.180 -14.401 1.00 4.16 N ATOM 0 H ARG A 91 -1.805 -4.428 -7.606 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.340 -2.151 -7.640 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -2.112 -3.109 -9.586 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.310 -4.382 -9.711 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -5.079 -2.648 -10.054 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.846 -1.404 -9.995 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -2.750 -2.356 -11.986 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.913 -3.665 -12.026 1.00 1.44 H new ATOM 0 HE ARG A 91 -5.141 -1.002 -12.049 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -3.722 -3.556 -14.040 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -4.628 -3.079 -15.480 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -6.306 -0.430 -13.874 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -6.084 -1.318 -15.386 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.211 -4.866 -7.521 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.586 -5.337 -7.323 1.00 0.61 C ATOM 1378 C GLU A 92 -7.194 -4.715 -6.072 1.00 0.51 C ATOM 1379 O GLU A 92 -8.382 -4.403 -6.027 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.609 -6.862 -7.232 1.00 0.74 C ATOM 1381 CG GLU A 92 -5.808 -7.423 -6.075 1.00 1.44 C ATOM 1382 CD GLU A 92 -5.386 -8.860 -6.305 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -6.240 -9.759 -6.161 1.00 2.68 O ATOM 1384 OE2 GLU A 92 -4.204 -9.100 -6.626 1.00 2.26 O ATOM 0 H GLU A 92 -4.508 -5.605 -7.533 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.187 -5.029 -8.179 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -7.643 -7.195 -7.140 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.223 -7.277 -8.163 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -4.922 -6.808 -5.919 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -6.402 -7.364 -5.163 1.00 1.44 H new ATOM 1391 N THR A 93 -6.355 -4.519 -5.075 1.00 0.44 N ATOM 1392 CA THR A 93 -6.754 -3.870 -3.844 1.00 0.38 C ATOM 1393 C THR A 93 -6.788 -2.354 -4.034 1.00 0.33 C ATOM 1394 O THR A 93 -7.711 -1.673 -3.587 1.00 0.37 O ATOM 1395 CB THR A 93 -5.764 -4.222 -2.720 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.588 -5.646 -2.657 1.00 0.47 O ATOM 1397 CG2 THR A 93 -6.244 -3.707 -1.375 1.00 0.36 C ATOM 0 H THR A 93 -5.376 -4.806 -5.096 1.00 0.44 H new ATOM 0 HA THR A 93 -7.750 -4.220 -3.573 1.00 0.38 H new ATOM 0 HB THR A 93 -4.813 -3.741 -2.947 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.956 -5.866 -1.941 1.00 0.47 H new ATOM 0 HG21 THR A 93 -5.521 -3.973 -0.604 1.00 0.36 H new ATOM 0 HG22 THR A 93 -6.347 -2.623 -1.416 1.00 0.36 H new ATOM 0 HG23 THR A 93 -7.209 -4.155 -1.137 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.778 -1.849 -4.731 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.595 -0.415 -4.928 1.00 0.39 C ATOM 1407 C ASP A 94 -6.720 0.188 -5.772 1.00 0.43 C ATOM 1408 O ASP A 94 -7.184 1.295 -5.498 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.236 -0.156 -5.583 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.882 1.314 -5.640 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.110 2.028 -4.646 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -3.356 1.763 -6.680 1.00 1.18 O ATOM 0 H ASP A 94 -5.061 -2.422 -5.176 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.626 0.070 -3.952 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.464 -0.690 -5.029 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.242 -0.563 -6.594 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.163 -0.541 -6.792 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.283 -0.097 -7.620 1.00 0.49 C ATOM 1419 C GLU A 95 -9.552 -0.010 -6.780 1.00 0.45 C ATOM 1420 O GLU A 95 -10.373 0.891 -6.962 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.510 -1.052 -8.798 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.306 -1.215 -9.718 1.00 0.72 C ATOM 1423 CD GLU A 95 -6.956 0.043 -10.491 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -6.697 1.083 -9.860 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -6.921 -0.016 -11.740 1.00 1.23 O ATOM 0 H GLU A 95 -6.766 -1.440 -7.066 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.040 0.889 -8.016 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.789 -2.031 -8.408 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.354 -0.691 -9.385 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.444 -1.518 -9.124 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.505 -2.021 -10.424 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.690 -0.944 -5.844 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.840 -0.982 -4.953 1.00 0.41 C ATOM 1434 C PHE A 96 -10.828 0.221 -4.016 1.00 0.36 C ATOM 1435 O PHE A 96 -11.865 0.830 -3.756 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.853 -2.282 -4.147 1.00 0.44 C ATOM 1437 CG PHE A 96 -12.019 -2.398 -3.204 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -13.291 -2.666 -3.682 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.839 -2.241 -1.838 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -14.364 -2.776 -2.817 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.907 -2.350 -0.967 1.00 0.62 C ATOM 1442 CZ PHE A 96 -14.177 -2.611 -1.464 1.00 0.72 C ATOM 0 H PHE A 96 -9.012 -1.689 -5.684 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.745 -0.942 -5.559 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.869 -3.126 -4.836 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.927 -2.354 -3.576 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.447 -2.791 -4.743 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.853 -2.031 -1.450 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -15.349 -2.991 -3.204 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.754 -2.233 0.096 1.00 0.62 H new ATOM 0 HZ PHE A 96 -15.017 -2.684 -0.789 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.651 0.562 -3.511 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.510 1.733 -2.659 1.00 0.32 C ATOM 1454 C PHE A 97 -9.792 3.020 -3.434 1.00 0.39 C ATOM 1455 O PHE A 97 -10.391 3.951 -2.897 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.127 1.774 -2.003 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.038 0.931 -0.760 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.565 1.366 0.443 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.411 -0.302 -0.800 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.474 0.582 1.579 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.314 -1.089 0.330 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.899 -0.609 1.553 1.00 0.35 C ATOM 0 H PHE A 97 -8.785 0.048 -3.675 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.253 1.657 -1.865 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.381 1.433 -2.721 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -7.880 2.806 -1.753 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.053 2.328 0.496 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -6.991 -0.654 -1.730 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -8.882 0.951 2.509 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -6.810 -2.044 0.296 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.869 -1.217 2.445 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.371 3.068 -4.700 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.631 4.235 -5.544 1.00 0.53 C ATOM 1474 C LYS A 98 -11.125 4.443 -5.754 1.00 0.56 C ATOM 1475 O LYS A 98 -11.641 5.539 -5.554 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.981 4.089 -6.920 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.468 4.114 -6.913 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.928 4.298 -8.321 1.00 1.13 C ATOM 1479 CE LYS A 98 -5.466 3.908 -8.412 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.287 2.456 -8.187 1.00 1.92 N ATOM 0 H LYS A 98 -8.853 2.319 -5.160 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.203 5.091 -5.022 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.313 3.151 -7.365 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.341 4.892 -7.563 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.116 4.924 -6.274 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.086 3.185 -6.490 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.510 3.694 -9.017 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -7.048 5.338 -8.624 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -5.075 4.178 -9.393 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -4.891 4.467 -7.674 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -4.293 2.261 -7.952 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.895 2.149 -7.401 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.547 1.936 -9.050 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.808 3.373 -6.142 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.231 3.444 -6.462 1.00 0.63 C ATOM 1496 C LYS A 99 -14.064 3.704 -5.212 1.00 0.63 C ATOM 1497 O LYS A 99 -15.162 4.252 -5.290 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.696 2.147 -7.134 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.522 0.917 -6.259 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.005 -0.348 -6.941 1.00 0.76 C ATOM 1501 CE LYS A 99 -15.483 -0.282 -7.284 1.00 1.62 C ATOM 1502 NZ LYS A 99 -15.934 -1.510 -7.984 1.00 2.04 N ATOM 0 H LYS A 99 -11.400 2.444 -6.243 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.374 4.276 -7.152 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.747 2.244 -7.406 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.139 2.007 -8.060 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.470 0.806 -5.997 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.070 1.056 -5.327 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -13.429 -0.511 -7.852 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.822 -1.203 -6.290 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.064 -0.148 -6.371 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -15.673 0.587 -7.913 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -16.948 -1.432 -8.204 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.396 -1.624 -8.867 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -15.775 -2.336 -7.373 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.536 3.309 -4.062 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.243 3.488 -2.807 1.00 0.60 C ATOM 1518 C CYS A 100 -13.941 4.864 -2.208 1.00 0.61 C ATOM 1519 O CYS A 100 -14.609 5.311 -1.273 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.862 2.382 -1.820 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.854 2.361 -0.312 1.00 1.39 S ATOM 0 H CYS A 100 -12.622 2.864 -3.975 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.313 3.427 -3.004 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -13.958 1.417 -2.318 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -12.812 2.498 -1.549 1.00 0.60 H new ATOM 0 HG CYS A 100 -15.246 3.569 -0.034 1.00 1.39 H new ATOM 1527 N ARG A 101 -12.931 5.528 -2.779 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.509 6.863 -2.351 1.00 0.65 C ATOM 1529 C ARG A 101 -12.026 6.855 -0.905 1.00 0.64 C ATOM 1530 O ARG A 101 -12.221 7.819 -0.168 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.640 7.882 -2.523 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.129 8.015 -3.956 1.00 0.79 C ATOM 1533 CD ARG A 101 -13.005 8.419 -4.894 1.00 1.19 C ATOM 1534 NE ARG A 101 -13.436 8.420 -6.290 1.00 2.14 N ATOM 1535 CZ ARG A 101 -12.621 8.603 -7.324 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -11.326 8.826 -7.128 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -13.105 8.566 -8.558 1.00 4.09 N ATOM 0 H ARG A 101 -12.383 5.153 -3.553 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.676 7.159 -2.989 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.477 7.593 -1.888 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.296 8.856 -2.174 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.556 7.067 -4.285 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -14.926 8.757 -4.002 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -12.646 9.412 -4.624 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -12.167 7.733 -4.773 1.00 1.19 H new ATOM 0 HE ARG A 101 -14.426 8.271 -6.484 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -10.952 8.858 -6.180 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -10.706 8.966 -7.926 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -14.099 8.398 -8.711 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -12.483 8.706 -9.354 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.379 5.772 -0.511 1.00 0.55 N ATOM 1552 CA VAL A 102 -10.912 5.622 0.856 1.00 0.57 C ATOM 1553 C VAL A 102 -9.432 5.245 0.871 1.00 0.49 C ATOM 1554 O VAL A 102 -8.963 4.500 0.012 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.755 4.568 1.618 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.655 3.202 0.958 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.348 4.489 3.085 1.00 1.42 C ATOM 0 H VAL A 102 -11.165 4.982 -1.120 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.032 6.578 1.366 1.00 0.57 H new ATOM 0 HB VAL A 102 -12.796 4.889 1.575 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.257 2.484 1.515 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.022 3.265 -0.067 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.615 2.876 0.952 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -11.958 3.741 3.592 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.297 4.210 3.156 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.498 5.460 3.557 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.703 5.787 1.838 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.267 5.572 1.938 1.00 0.50 C ATOM 1569 C ILE A 103 -6.965 4.287 2.705 1.00 0.43 C ATOM 1570 O ILE A 103 -7.464 4.085 3.815 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.557 6.770 2.631 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -6.610 8.031 1.754 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.109 6.434 2.961 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.970 8.695 1.680 1.00 1.33 C ATOM 0 H ILE A 103 -9.088 6.384 2.570 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.883 5.484 0.922 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.092 6.968 3.560 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -5.889 8.753 2.136 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -6.294 7.768 0.744 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.638 7.290 3.445 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.079 5.576 3.632 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.572 6.195 2.043 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.911 9.575 1.040 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -8.695 7.994 1.267 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -8.284 8.994 2.680 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.164 3.391 2.105 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.707 2.168 2.768 1.00 0.37 C ATOM 1588 C PRO A 104 -4.837 2.478 3.980 1.00 0.37 C ATOM 1589 O PRO A 104 -4.099 3.459 3.985 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.894 1.442 1.690 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.539 2.491 0.691 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.648 3.501 0.728 1.00 0.44 C ATOM 0 HA PRO A 104 -6.538 1.573 3.148 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -4.000 0.984 2.113 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.475 0.642 1.231 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.583 2.954 0.936 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.438 2.061 -0.305 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.284 4.506 0.514 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.419 3.278 -0.009 1.00 0.44 H new ATOM 1600 N SER A 105 -4.923 1.642 5.001 1.00 0.32 N ATOM 1601 CA SER A 105 -4.229 1.908 6.250 1.00 0.34 C ATOM 1602 C SER A 105 -4.011 0.628 7.047 1.00 0.34 C ATOM 1603 O SER A 105 -4.529 -0.433 6.676 1.00 0.33 O ATOM 1604 CB SER A 105 -5.040 2.905 7.076 1.00 0.43 C ATOM 1605 OG SER A 105 -6.379 2.451 7.235 1.00 1.42 O ATOM 0 H SER A 105 -5.464 0.777 4.990 1.00 0.32 H new ATOM 0 HA SER A 105 -3.250 2.327 6.019 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.577 3.037 8.054 1.00 0.43 H new ATOM 0 HB3 SER A 105 -5.036 3.879 6.587 1.00 0.43 H new ATOM 0 HG SER A 105 -6.582 1.784 6.547 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.260 0.734 8.138 1.00 0.39 N ATOM 1612 CA GLN A 106 -3.044 -0.387 9.049 1.00 0.43 C ATOM 1613 C GLN A 106 -4.372 -0.876 9.629 1.00 0.45 C ATOM 1614 O GLN A 106 -4.522 -2.052 9.954 1.00 0.50 O ATOM 1615 CB GLN A 106 -2.085 0.002 10.176 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.717 0.448 9.694 1.00 0.68 C ATOM 1617 CD GLN A 106 0.208 0.785 10.842 1.00 0.96 C ATOM 1618 OE1 GLN A 106 0.247 1.919 11.312 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.960 -0.201 11.302 1.00 1.42 N ATOM 0 H GLN A 106 -2.786 1.593 8.416 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.593 -1.200 8.479 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.533 0.806 10.760 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.963 -0.849 10.846 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -0.271 -0.342 9.089 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.827 1.320 9.049 1.00 0.68 H new ATOM 0 HE21 GLN A 106 0.897 -1.129 10.883 1.00 1.42 H new ATOM 0 HE22 GLN A 106 1.603 -0.034 12.076 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.332 0.039 9.742 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.675 -0.292 10.219 1.00 0.51 C ATOM 1630 C GLU A 107 -7.327 -1.356 9.335 1.00 0.42 C ATOM 1631 O GLU A 107 -8.145 -2.152 9.793 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.549 0.967 10.217 1.00 0.59 C ATOM 1633 CG GLU A 107 -7.071 2.056 11.161 1.00 1.41 C ATOM 1634 CD GLU A 107 -7.325 1.714 12.613 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -8.420 2.037 13.119 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -6.435 1.124 13.256 1.00 2.82 O ATOM 0 H GLU A 107 -5.204 1.023 9.508 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.587 -0.686 11.232 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.585 1.369 9.205 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -8.568 0.689 10.486 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -6.004 2.221 11.011 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -7.575 2.991 10.917 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.957 -1.357 8.060 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.513 -2.291 7.098 1.00 0.37 C ATOM 1645 C HIS A 108 -6.748 -3.618 7.104 1.00 0.46 C ATOM 1646 O HIS A 108 -7.218 -4.614 6.551 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.524 -1.663 5.701 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.510 -0.537 5.571 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.178 0.793 5.751 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.831 -0.551 5.277 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.252 1.539 5.572 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.273 0.750 5.285 1.00 0.52 N ATOM 0 H HIS A 108 -6.268 -0.714 7.669 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.541 -2.511 7.386 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.526 -1.293 5.467 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.760 -2.432 4.965 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.430 -1.427 5.073 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.290 2.616 5.648 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.228 1.056 5.100 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.565 -3.622 7.719 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.760 -4.838 7.827 1.00 0.70 C ATOM 1663 C LEU A 109 -5.495 -5.892 8.647 1.00 0.79 C ATOM 1664 O LEU A 109 -5.627 -5.758 9.864 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.410 -4.541 8.484 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.486 -3.607 7.705 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.239 -3.305 8.517 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -2.108 -4.229 6.374 1.00 0.67 C ATOM 0 H LEU A 109 -5.144 -2.798 8.149 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.590 -5.215 6.819 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.593 -4.105 9.466 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.890 -5.485 8.646 1.00 0.96 H new ATOM 0 HG LEU A 109 -3.015 -2.673 7.515 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.589 -2.638 7.951 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.522 -2.826 9.454 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.710 -4.234 8.730 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.449 -3.552 5.830 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.594 -5.174 6.547 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -3.009 -4.408 5.787 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.980 -6.927 7.965 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.755 -7.998 8.601 1.00 1.67 C ATOM 1682 C ASN A 110 -8.016 -7.435 9.242 1.00 1.44 C ATOM 1683 O ASN A 110 -8.569 -8.016 10.176 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.919 -8.746 9.648 1.00 2.17 C ATOM 1685 CG ASN A 110 -4.765 -9.503 9.032 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -4.832 -9.940 7.882 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -3.694 -9.665 9.790 1.00 3.35 N ATOM 0 H ASN A 110 -5.850 -7.050 6.961 1.00 1.37 H new ATOM 0 HA ASN A 110 -7.039 -8.708 7.824 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.534 -8.034 10.378 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -6.559 -9.443 10.189 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -2.884 -10.167 9.427 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.678 -9.288 10.738 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.470 -6.300 8.728 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.646 -5.659 9.268 1.00 1.12 C ATOM 1696 C GLY A 111 -10.762 -5.572 8.249 1.00 0.87 C ATOM 1697 O GLY A 111 -10.572 -5.929 7.082 1.00 0.93 O ATOM 0 H GLY A 111 -8.040 -5.812 7.942 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.993 -6.214 10.140 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.388 -4.657 9.610 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.944 -5.107 8.663 1.00 0.86 N ATOM 1702 CA PRO A 112 -13.103 -4.983 7.779 1.00 0.93 C ATOM 1703 C PRO A 112 -12.896 -3.909 6.717 1.00 0.89 C ATOM 1704 O PRO A 112 -12.391 -2.822 7.006 1.00 1.31 O ATOM 1705 CB PRO A 112 -14.247 -4.584 8.724 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.735 -4.844 10.102 1.00 1.30 C ATOM 1707 CD PRO A 112 -12.250 -4.661 10.026 1.00 1.10 C ATOM 0 HA PRO A 112 -13.295 -5.905 7.231 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.514 -3.535 8.596 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -15.145 -5.168 8.522 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.178 -4.154 10.820 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.989 -5.852 10.430 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.960 -3.623 10.188 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.729 -5.258 10.775 1.00 1.10 H new ATOM 1715 N LEU A 113 -13.273 -4.219 5.487 1.00 0.62 N ATOM 1716 CA LEU A 113 -13.196 -3.251 4.417 1.00 0.58 C ATOM 1717 C LEU A 113 -14.410 -2.327 4.485 1.00 0.69 C ATOM 1718 O LEU A 113 -15.396 -2.659 5.146 1.00 0.90 O ATOM 1719 CB LEU A 113 -13.100 -3.948 3.050 1.00 0.58 C ATOM 1720 CG LEU A 113 -11.852 -4.816 2.839 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -11.761 -5.250 1.387 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -10.586 -4.073 3.268 1.00 1.05 C ATOM 0 H LEU A 113 -13.634 -5.132 5.210 1.00 0.62 H new ATOM 0 HA LEU A 113 -12.292 -2.655 4.537 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.983 -4.573 2.917 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -13.128 -3.187 2.270 1.00 0.58 H new ATOM 0 HG LEU A 113 -11.939 -5.705 3.464 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -10.872 -5.865 1.246 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -12.648 -5.827 1.123 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.698 -4.370 0.747 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.717 -4.712 3.108 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.481 -3.162 2.678 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -10.656 -3.815 4.325 1.00 1.05 H new