USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 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 61 ASN : amide:sc= 0.792 K(o=1.5,f=-0.7) USER MOD Set 1.2: A 84 THR OG1 : rot 41:sc= 0.735 USER MOD Set 2.1: A 15 MET CE :methyl -131:sc= -5.76! (180deg=-3.95!) USER MOD Set 2.2: A 49 SER OG : rot -22:sc= 0.0714 USER MOD Set 3.1: A 28 SER OG : rot -105:sc= 0.371 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.11 K(o=0.26,f=-2.5) USER MOD Single : A 13 CYS SG : rot 130:sc= -1.16 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.939) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 31:sc= 0.705 USER MOD Single : A 25 ASN : amide:sc= -2.18! C(o=-2.2!,f=-4.5!) USER MOD Single : A 27 HIS : no HD1:sc= -3.11! K(o=-3.1!,f=-0.22) USER MOD Single : A 35 GLN : amide:sc= -1.6! C(o=-1.6!,f=-3.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -97:sc= 1.22 USER MOD Single : A 54 GLN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 167:sc= -0.0341 (180deg=-0.339) USER MOD Single : A 68 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0.171) USER MOD Single : A 69 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.73) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot -28:sc= 0.138 USER MOD Single : A 105 SER OG : rot 20:sc= 0.27 USER MOD Single : A 106 GLN : amide:sc= -0.581 X(o=-0.58,f=-0.091) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -7.624 -8.612 -0.861 1.00 0.80 N ATOM 107 CA LEU A 8 -7.682 -7.196 -1.199 1.00 0.56 C ATOM 108 C LEU A 8 -7.322 -6.343 0.006 1.00 0.48 C ATOM 109 O LEU A 8 -7.939 -5.311 0.267 1.00 0.47 O ATOM 110 CB LEU A 8 -9.070 -6.828 -1.725 1.00 0.47 C ATOM 111 CG LEU A 8 -9.517 -7.613 -2.956 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.812 -7.051 -3.508 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.436 -7.593 -4.018 1.00 0.72 C ATOM 0 HA LEU A 8 -6.953 -7.000 -1.986 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.798 -6.983 -0.929 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.082 -5.765 -1.965 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.692 -8.647 -2.658 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.113 -7.624 -4.385 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.590 -7.116 -2.747 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.665 -6.008 -3.789 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.771 -8.157 -4.889 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.232 -6.563 -4.310 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.527 -8.045 -3.621 1.00 0.72 H new ATOM 125 N ARG A 9 -6.316 -6.788 0.735 1.00 0.52 N ATOM 126 CA ARG A 9 -5.837 -6.066 1.898 1.00 0.51 C ATOM 127 C ARG A 9 -4.442 -5.534 1.618 1.00 0.43 C ATOM 128 O ARG A 9 -3.667 -6.169 0.904 1.00 0.47 O ATOM 129 CB ARG A 9 -5.828 -6.978 3.131 1.00 0.69 C ATOM 130 CG ARG A 9 -7.214 -7.421 3.572 1.00 1.15 C ATOM 131 CD ARG A 9 -7.167 -8.192 4.882 1.00 1.21 C ATOM 132 NE ARG A 9 -6.504 -9.490 4.744 1.00 1.84 N ATOM 133 CZ ARG A 9 -5.721 -10.028 5.681 1.00 2.23 C ATOM 134 NH1 ARG A 9 -5.425 -9.350 6.782 1.00 2.21 N ATOM 135 NH2 ARG A 9 -5.217 -11.242 5.506 1.00 3.09 N ATOM 0 H ARG A 9 -5.812 -7.653 0.540 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.506 -5.230 2.103 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -5.225 -7.860 2.915 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -5.344 -6.455 3.956 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -7.856 -6.548 3.686 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -7.660 -8.045 2.798 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -6.644 -7.598 5.631 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -8.183 -8.343 5.248 1.00 1.21 H new ATOM 0 HE ARG A 9 -6.649 -10.014 3.881 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -5.797 -8.410 6.917 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -4.826 -9.769 7.493 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -5.428 -11.764 4.655 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -4.618 -11.654 6.222 1.00 3.09 H new ATOM 149 N PRO A 10 -4.104 -4.357 2.162 1.00 0.36 N ATOM 150 CA PRO A 10 -2.796 -3.751 1.951 1.00 0.30 C ATOM 151 C PRO A 10 -1.684 -4.591 2.567 1.00 0.28 C ATOM 152 O PRO A 10 -1.925 -5.434 3.432 1.00 0.38 O ATOM 153 CB PRO A 10 -2.904 -2.389 2.642 1.00 0.29 C ATOM 154 CG PRO A 10 -4.013 -2.536 3.622 1.00 0.47 C ATOM 155 CD PRO A 10 -4.959 -3.544 3.038 1.00 0.40 C ATOM 0 HA PRO A 10 -2.544 -3.669 0.894 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.971 -2.125 3.140 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -3.116 -1.598 1.923 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.636 -2.871 4.589 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.514 -1.582 3.788 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.428 -4.149 3.814 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.762 -3.063 2.480 1.00 0.40 H new ATOM 163 N ARG A 11 -0.478 -4.364 2.102 1.00 0.29 N ATOM 164 CA ARG A 11 0.667 -5.092 2.554 1.00 0.34 C ATOM 165 C ARG A 11 1.531 -4.203 3.436 1.00 0.27 C ATOM 166 O ARG A 11 1.858 -3.077 3.066 1.00 0.27 O ATOM 167 CB ARG A 11 1.446 -5.570 1.330 1.00 0.49 C ATOM 168 CG ARG A 11 2.896 -5.869 1.611 1.00 0.63 C ATOM 169 CD ARG A 11 3.029 -7.006 2.593 1.00 1.00 C ATOM 170 NE ARG A 11 3.171 -8.307 1.941 1.00 1.22 N ATOM 171 CZ ARG A 11 2.317 -9.317 2.114 1.00 1.59 C ATOM 172 NH1 ARG A 11 1.238 -9.150 2.867 1.00 1.95 N ATOM 173 NH2 ARG A 11 2.543 -10.486 1.529 1.00 2.37 N ATOM 0 H ARG A 11 -0.270 -3.661 1.393 1.00 0.29 H new ATOM 0 HA ARG A 11 0.361 -5.954 3.147 1.00 0.34 H new ATOM 0 HB2 ARG A 11 0.969 -6.467 0.935 1.00 0.49 H new ATOM 0 HB3 ARG A 11 1.386 -4.809 0.552 1.00 0.49 H new ATOM 0 HG2 ARG A 11 3.406 -6.124 0.682 1.00 0.63 H new ATOM 0 HG3 ARG A 11 3.385 -4.980 2.009 1.00 0.63 H new ATOM 0 HD2 ARG A 11 3.895 -6.829 3.231 1.00 1.00 H new ATOM 0 HD3 ARG A 11 2.153 -7.024 3.241 1.00 1.00 H new ATOM 0 HE ARG A 11 3.967 -8.450 1.320 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.062 -8.250 3.313 1.00 1.95 H new ATOM 0 HH12 ARG A 11 0.584 -9.922 3.000 1.00 1.95 H new ATOM 0 HH21 ARG A 11 3.370 -10.613 0.946 1.00 2.37 H new ATOM 0 HH22 ARG A 11 1.889 -11.258 1.662 1.00 2.37 H new ATOM 187 N LEU A 12 1.895 -4.714 4.596 1.00 0.29 N ATOM 188 CA LEU A 12 2.791 -3.999 5.486 1.00 0.26 C ATOM 189 C LEU A 12 4.163 -4.651 5.457 1.00 0.25 C ATOM 190 O LEU A 12 4.354 -5.755 5.963 1.00 0.32 O ATOM 191 CB LEU A 12 2.247 -3.980 6.919 1.00 0.34 C ATOM 192 CG LEU A 12 3.073 -3.161 7.918 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.152 -1.706 7.483 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.476 -3.263 9.314 1.00 1.28 C ATOM 0 H LEU A 12 1.585 -5.621 4.945 1.00 0.29 H new ATOM 0 HA LEU A 12 2.870 -2.967 5.143 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.232 -3.584 6.900 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.182 -5.006 7.280 1.00 0.34 H new ATOM 0 HG LEU A 12 4.083 -3.570 7.941 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.742 -1.142 8.205 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.623 -1.645 6.502 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.147 -1.287 7.430 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.075 -2.676 10.010 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.455 -2.881 9.302 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.469 -4.306 9.632 1.00 1.28 H new ATOM 206 N CYS A 13 5.110 -3.961 4.864 1.00 0.23 N ATOM 207 CA CYS A 13 6.457 -4.468 4.729 1.00 0.25 C ATOM 208 C CYS A 13 7.327 -3.926 5.851 1.00 0.22 C ATOM 209 O CYS A 13 7.516 -2.720 5.965 1.00 0.24 O ATOM 210 CB CYS A 13 7.033 -4.049 3.377 1.00 0.29 C ATOM 211 SG CYS A 13 5.946 -4.394 1.975 1.00 0.40 S ATOM 0 H CYS A 13 4.969 -3.034 4.462 1.00 0.23 H new ATOM 0 HA CYS A 13 6.437 -5.556 4.788 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.249 -2.981 3.401 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.982 -4.563 3.223 1.00 0.29 H new ATOM 0 HG CYS A 13 5.828 -3.325 1.244 1.00 0.40 H new ATOM 217 N THR A 14 7.842 -4.805 6.681 1.00 0.23 N ATOM 218 CA THR A 14 8.737 -4.394 7.738 1.00 0.24 C ATOM 219 C THR A 14 10.128 -4.914 7.418 1.00 0.22 C ATOM 220 O THR A 14 10.351 -6.125 7.363 1.00 0.25 O ATOM 221 CB THR A 14 8.269 -4.938 9.095 1.00 0.31 C ATOM 222 OG1 THR A 14 6.888 -4.603 9.291 1.00 0.35 O ATOM 223 CG2 THR A 14 9.100 -4.353 10.225 1.00 0.35 C ATOM 0 H THR A 14 7.657 -5.807 6.644 1.00 0.23 H new ATOM 0 HA THR A 14 8.747 -3.306 7.803 1.00 0.24 H new ATOM 0 HB THR A 14 8.393 -6.021 9.099 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.587 -4.951 10.156 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.751 -4.752 11.177 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.147 -4.619 10.082 1.00 0.35 H new ATOM 0 HG23 THR A 14 8.998 -3.268 10.227 1.00 0.35 H new ATOM 231 N MET A 15 11.061 -4.007 7.219 1.00 0.20 N ATOM 232 CA MET A 15 12.385 -4.383 6.764 1.00 0.19 C ATOM 233 C MET A 15 13.452 -3.696 7.596 1.00 0.21 C ATOM 234 O MET A 15 13.375 -2.496 7.858 1.00 0.21 O ATOM 235 CB MET A 15 12.553 -4.030 5.279 1.00 0.21 C ATOM 236 CG MET A 15 12.354 -2.553 4.984 1.00 0.24 C ATOM 237 SD MET A 15 12.569 -2.136 3.243 1.00 0.88 S ATOM 238 CE MET A 15 10.994 -2.669 2.580 1.00 0.28 C ATOM 0 H MET A 15 10.929 -3.006 7.364 1.00 0.20 H new ATOM 0 HA MET A 15 12.500 -5.460 6.884 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.550 -4.327 4.953 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.840 -4.609 4.692 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.353 -2.259 5.300 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.059 -1.973 5.579 1.00 0.24 H new ATOM 0 HE1 MET A 15 11.161 -3.286 1.697 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.460 -3.249 3.333 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.401 -1.797 2.306 1.00 0.28 H new ATOM 248 N LYS A 16 14.439 -4.460 8.018 1.00 0.29 N ATOM 249 CA LYS A 16 15.524 -3.923 8.813 1.00 0.37 C ATOM 250 C LYS A 16 16.807 -3.871 7.996 1.00 0.40 C ATOM 251 O LYS A 16 17.122 -4.794 7.240 1.00 0.48 O ATOM 252 CB LYS A 16 15.678 -4.732 10.109 1.00 0.50 C ATOM 253 CG LYS A 16 17.112 -5.004 10.537 1.00 0.90 C ATOM 254 CD LYS A 16 17.164 -5.856 11.795 1.00 1.09 C ATOM 255 CE LYS A 16 16.432 -5.191 12.950 1.00 1.96 C ATOM 256 NZ LYS A 16 16.515 -5.989 14.201 1.00 2.58 N ATOM 0 H LYS A 16 14.512 -5.458 7.823 1.00 0.29 H new ATOM 0 HA LYS A 16 15.293 -2.897 9.100 1.00 0.37 H new ATOM 0 HB2 LYS A 16 15.171 -4.199 10.913 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.165 -5.686 9.986 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.644 -5.510 9.731 1.00 0.90 H new ATOM 0 HG3 LYS A 16 17.626 -4.059 10.714 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.719 -6.831 11.594 1.00 1.09 H new ATOM 0 HD3 LYS A 16 18.203 -6.031 12.074 1.00 1.09 H new ATOM 0 HE2 LYS A 16 16.854 -4.201 13.124 1.00 1.96 H new ATOM 0 HE3 LYS A 16 15.385 -5.048 12.681 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 16.002 -5.498 14.961 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 16.089 -6.925 14.045 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 17.512 -6.104 14.474 1.00 2.58 H new ATOM 270 N LYS A 17 17.510 -2.757 8.150 1.00 0.41 N ATOM 271 CA LYS A 17 18.693 -2.434 7.363 1.00 0.50 C ATOM 272 C LYS A 17 19.743 -3.534 7.432 1.00 0.60 C ATOM 273 O LYS A 17 20.164 -3.944 8.516 1.00 0.67 O ATOM 274 CB LYS A 17 19.284 -1.121 7.875 1.00 0.51 C ATOM 275 CG LYS A 17 19.538 -0.089 6.793 1.00 0.52 C ATOM 276 CD LYS A 17 19.956 1.251 7.384 1.00 0.53 C ATOM 277 CE LYS A 17 18.870 1.830 8.279 1.00 0.62 C ATOM 278 NZ LYS A 17 19.266 3.133 8.875 1.00 0.92 N ATOM 0 H LYS A 17 17.271 -2.041 8.836 1.00 0.41 H new ATOM 0 HA LYS A 17 18.393 -2.338 6.320 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.607 -0.695 8.616 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.223 -1.333 8.386 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.317 -0.450 6.121 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.636 0.042 6.195 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.874 1.126 7.959 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.177 1.952 6.579 1.00 0.53 H new ATOM 0 HE2 LYS A 17 17.956 1.961 7.700 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.643 1.122 9.076 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.594 3.390 9.626 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.222 3.055 9.277 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.259 3.868 8.139 1.00 0.92 H new ATOM 292 N GLY A 18 20.157 -4.008 6.269 1.00 0.68 N ATOM 293 CA GLY A 18 21.178 -5.027 6.201 1.00 0.85 C ATOM 294 C GLY A 18 22.541 -4.433 5.929 1.00 1.05 C ATOM 295 O GLY A 18 22.786 -3.267 6.246 1.00 1.28 O ATOM 0 H GLY A 18 19.800 -3.701 5.364 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.203 -5.581 7.139 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.928 -5.741 5.416 1.00 0.85 H new ATOM 299 N PRO A 19 23.445 -5.204 5.309 1.00 1.24 N ATOM 300 CA PRO A 19 24.819 -4.765 5.044 1.00 1.57 C ATOM 301 C PRO A 19 24.883 -3.579 4.084 1.00 1.57 C ATOM 302 O PRO A 19 25.739 -2.705 4.213 1.00 2.23 O ATOM 303 CB PRO A 19 25.480 -5.998 4.415 1.00 1.91 C ATOM 304 CG PRO A 19 24.352 -6.811 3.880 1.00 1.86 C ATOM 305 CD PRO A 19 23.197 -6.569 4.811 1.00 1.40 C ATOM 0 HA PRO A 19 25.311 -4.419 5.953 1.00 1.57 H new ATOM 0 HB2 PRO A 19 26.172 -5.713 3.622 1.00 1.91 H new ATOM 0 HB3 PRO A 19 26.054 -6.558 5.153 1.00 1.91 H new ATOM 0 HG2 PRO A 19 24.103 -6.512 2.862 1.00 1.86 H new ATOM 0 HG3 PRO A 19 24.613 -7.869 3.847 1.00 1.86 H new ATOM 0 HD2 PRO A 19 22.241 -6.641 4.293 1.00 1.40 H new ATOM 0 HD3 PRO A 19 23.175 -7.296 5.623 1.00 1.40 H new ATOM 313 N SER A 20 23.959 -3.541 3.134 1.00 1.40 N ATOM 314 CA SER A 20 23.951 -2.494 2.125 1.00 1.65 C ATOM 315 C SER A 20 22.655 -1.690 2.186 1.00 1.43 C ATOM 316 O SER A 20 22.104 -1.294 1.161 1.00 1.93 O ATOM 317 CB SER A 20 24.138 -3.111 0.735 1.00 2.14 C ATOM 318 OG SER A 20 25.343 -3.860 0.677 1.00 2.87 O ATOM 0 H SER A 20 23.206 -4.223 3.042 1.00 1.40 H new ATOM 0 HA SER A 20 24.777 -1.811 2.323 1.00 1.65 H new ATOM 0 HB2 SER A 20 23.291 -3.756 0.501 1.00 2.14 H new ATOM 0 HB3 SER A 20 24.157 -2.324 -0.019 1.00 2.14 H new ATOM 0 HG SER A 20 25.444 -4.248 -0.217 1.00 2.87 H new ATOM 324 N GLY A 21 22.172 -1.450 3.398 1.00 1.04 N ATOM 325 CA GLY A 21 20.945 -0.703 3.560 1.00 0.94 C ATOM 326 C GLY A 21 19.726 -1.567 3.334 1.00 0.97 C ATOM 327 O GLY A 21 19.411 -2.440 4.141 1.00 1.93 O ATOM 0 H GLY A 21 22.607 -1.759 4.267 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.908 -0.278 4.563 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.933 0.132 2.860 1.00 0.94 H new ATOM 331 N TYR A 22 19.051 -1.331 2.227 1.00 0.74 N ATOM 332 CA TYR A 22 17.871 -2.093 1.864 1.00 0.70 C ATOM 333 C TYR A 22 18.010 -2.557 0.416 1.00 0.89 C ATOM 334 O TYR A 22 19.130 -2.693 -0.077 1.00 1.82 O ATOM 335 CB TYR A 22 16.612 -1.241 2.055 1.00 0.64 C ATOM 336 CG TYR A 22 16.433 -0.699 3.465 1.00 0.50 C ATOM 337 CD1 TYR A 22 16.068 -1.542 4.509 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.644 0.647 3.761 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.925 -1.066 5.799 1.00 0.46 C ATOM 340 CE2 TYR A 22 16.498 1.128 5.048 1.00 0.54 C ATOM 341 CZ TYR A 22 16.069 0.320 6.033 1.00 0.46 C ATOM 342 OH TYR A 22 16.001 0.745 7.345 1.00 0.59 O ATOM 0 H TYR A 22 19.304 -0.607 1.554 1.00 0.74 H new ATOM 0 HA TYR A 22 17.778 -2.967 2.509 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.644 -0.404 1.358 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.739 -1.839 1.794 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.893 -2.589 4.308 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.927 1.326 2.970 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.707 -1.741 6.613 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.730 2.160 5.264 1.00 0.54 H new ATOM 0 HH TYR A 22 16.344 0.042 7.935 1.00 0.59 H new ATOM 352 N GLY A 23 16.900 -2.811 -0.269 1.00 0.43 N ATOM 353 CA GLY A 23 16.994 -3.293 -1.637 1.00 0.42 C ATOM 354 C GLY A 23 15.735 -3.061 -2.446 1.00 0.39 C ATOM 355 O GLY A 23 14.989 -3.998 -2.716 1.00 0.39 O ATOM 0 H GLY A 23 15.952 -2.695 0.089 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.830 -2.799 -2.131 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.217 -4.360 -1.624 1.00 0.42 H new ATOM 359 N PHE A 24 15.488 -1.815 -2.825 1.00 0.37 N ATOM 360 CA PHE A 24 14.347 -1.487 -3.668 1.00 0.36 C ATOM 361 C PHE A 24 14.580 -0.173 -4.402 1.00 0.38 C ATOM 362 O PHE A 24 15.313 0.692 -3.922 1.00 0.40 O ATOM 363 CB PHE A 24 13.057 -1.413 -2.844 1.00 0.34 C ATOM 364 CG PHE A 24 13.081 -0.386 -1.741 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.634 -0.691 -0.507 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.562 0.882 -1.942 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.665 0.249 0.505 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.591 1.826 -0.934 1.00 0.36 C ATOM 369 CZ PHE A 24 13.110 1.507 0.295 1.00 0.36 C ATOM 0 H PHE A 24 16.063 -1.014 -2.562 1.00 0.37 H new ATOM 0 HA PHE A 24 14.237 -2.283 -4.405 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.225 -1.191 -3.513 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.862 -2.393 -2.408 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.045 -1.675 -0.335 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.129 1.136 -2.898 1.00 0.34 H new ATOM 0 HE1 PHE A 24 14.118 0.008 1.455 1.00 0.35 H new ATOM 0 HE2 PHE A 24 12.204 2.818 -1.114 1.00 0.36 H new ATOM 0 HZ PHE A 24 13.088 2.230 1.097 1.00 0.36 H new ATOM 379 N ASN A 25 13.962 -0.036 -5.567 1.00 0.43 N ATOM 380 CA ASN A 25 14.027 1.206 -6.329 1.00 0.46 C ATOM 381 C ASN A 25 12.647 1.865 -6.348 1.00 0.42 C ATOM 382 O ASN A 25 11.626 1.175 -6.380 1.00 0.39 O ATOM 383 CB ASN A 25 14.509 0.939 -7.757 1.00 0.51 C ATOM 384 CG ASN A 25 15.217 2.139 -8.354 1.00 1.23 C ATOM 385 OD1 ASN A 25 14.597 3.009 -8.967 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.525 2.204 -8.168 1.00 1.65 N ATOM 0 H ASN A 25 13.408 -0.771 -6.007 1.00 0.43 H new ATOM 0 HA ASN A 25 14.740 1.878 -5.852 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.184 0.083 -7.757 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.657 0.673 -8.383 1.00 0.51 H new ATOM 0 HD21 ASN A 25 17.054 2.994 -8.538 1.00 1.65 H new ATOM 0 HD22 ASN A 25 17.005 1.464 -7.655 1.00 1.65 H new ATOM 393 N LEU A 26 12.617 3.189 -6.330 1.00 0.50 N ATOM 394 CA LEU A 26 11.368 3.932 -6.178 1.00 0.52 C ATOM 395 C LEU A 26 10.862 4.505 -7.500 1.00 0.55 C ATOM 396 O LEU A 26 11.633 4.756 -8.427 1.00 0.73 O ATOM 397 CB LEU A 26 11.540 5.051 -5.153 1.00 0.69 C ATOM 398 CG LEU A 26 11.658 4.579 -3.705 1.00 0.87 C ATOM 399 CD1 LEU A 26 11.875 5.760 -2.774 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.412 3.806 -3.302 1.00 1.48 C ATOM 0 H LEU A 26 13.446 3.776 -6.419 1.00 0.50 H new ATOM 0 HA LEU A 26 10.617 3.225 -5.826 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.431 5.624 -5.408 1.00 0.69 H new ATOM 0 HB3 LEU A 26 10.691 5.730 -5.231 1.00 0.69 H new ATOM 0 HG LEU A 26 12.521 3.918 -3.625 1.00 0.87 H new ATOM 0 HD11 LEU A 26 11.957 5.404 -1.747 1.00 1.52 H new ATOM 0 HD12 LEU A 26 12.792 6.279 -3.052 1.00 1.52 H new ATOM 0 HD13 LEU A 26 11.032 6.446 -2.854 1.00 1.52 H new ATOM 0 HD21 LEU A 26 10.508 3.475 -2.268 1.00 1.48 H new ATOM 0 HD22 LEU A 26 9.538 4.450 -3.397 1.00 1.48 H new ATOM 0 HD23 LEU A 26 10.296 2.938 -3.952 1.00 1.48 H new ATOM 412 N HIS A 27 9.551 4.690 -7.571 1.00 0.56 N ATOM 413 CA HIS A 27 8.898 5.224 -8.756 1.00 0.67 C ATOM 414 C HIS A 27 8.428 6.648 -8.495 1.00 0.68 C ATOM 415 O HIS A 27 7.651 6.896 -7.571 1.00 0.95 O ATOM 416 CB HIS A 27 7.677 4.368 -9.106 1.00 1.23 C ATOM 417 CG HIS A 27 7.650 3.834 -10.505 1.00 0.70 C ATOM 418 ND1 HIS A 27 6.956 4.430 -11.535 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.220 2.728 -11.032 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.104 3.712 -12.631 1.00 1.30 C ATOM 421 NE2 HIS A 27 7.867 2.674 -12.357 1.00 1.34 N ATOM 0 H HIS A 27 8.910 4.474 -6.807 1.00 0.56 H new ATOM 0 HA HIS A 27 9.612 5.214 -9.579 1.00 0.67 H new ATOM 0 HB2 HIS A 27 7.632 3.528 -8.413 1.00 1.23 H new ATOM 0 HB3 HIS A 27 6.778 4.963 -8.944 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.840 2.017 -10.507 1.00 0.81 H new ATOM 0 HE1 HIS A 27 6.671 3.938 -13.594 1.00 1.30 H new ATOM 0 HE2 HIS A 27 8.148 1.951 -13.019 1.00 1.34 H new ATOM 430 N SER A 28 8.911 7.574 -9.302 1.00 0.75 N ATOM 431 CA SER A 28 8.433 8.944 -9.268 1.00 1.14 C ATOM 432 C SER A 28 7.551 9.186 -10.485 1.00 1.03 C ATOM 433 O SER A 28 8.037 9.529 -11.565 1.00 1.34 O ATOM 434 CB SER A 28 9.617 9.916 -9.244 1.00 1.74 C ATOM 435 OG SER A 28 10.500 9.606 -8.175 1.00 2.30 O ATOM 0 H SER A 28 9.640 7.400 -9.994 1.00 0.75 H new ATOM 0 HA SER A 28 7.848 9.113 -8.364 1.00 1.14 H new ATOM 0 HB2 SER A 28 10.154 9.867 -10.191 1.00 1.74 H new ATOM 0 HB3 SER A 28 9.253 10.938 -9.137 1.00 1.74 H new ATOM 0 HG SER A 28 10.392 10.267 -7.459 1.00 2.30 H new ATOM 529 N GLN A 35 4.711 7.148 -4.211 1.00 0.74 N ATOM 530 CA GLN A 35 5.873 6.383 -4.623 1.00 0.59 C ATOM 531 C GLN A 35 5.502 4.924 -4.816 1.00 0.52 C ATOM 532 O GLN A 35 4.925 4.297 -3.935 1.00 0.58 O ATOM 533 CB GLN A 35 6.994 6.499 -3.587 1.00 0.58 C ATOM 534 CG GLN A 35 8.139 7.406 -4.010 1.00 0.82 C ATOM 535 CD GLN A 35 7.726 8.855 -4.191 1.00 0.75 C ATOM 536 OE1 GLN A 35 7.779 9.645 -3.254 1.00 1.50 O ATOM 537 NE2 GLN A 35 7.320 9.212 -5.399 1.00 0.78 N ATOM 0 HA GLN A 35 6.228 6.790 -5.570 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.574 6.873 -2.653 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.389 5.504 -3.382 1.00 0.58 H new ATOM 0 HG2 GLN A 35 8.930 7.352 -3.262 1.00 0.82 H new ATOM 0 HG3 GLN A 35 8.559 7.036 -4.945 1.00 0.82 H new ATOM 0 HE21 GLN A 35 7.291 8.524 -6.151 1.00 0.78 H new ATOM 0 HE22 GLN A 35 7.036 10.175 -5.578 1.00 0.78 H new ATOM 546 N PHE A 36 5.836 4.398 -5.978 1.00 0.47 N ATOM 547 CA PHE A 36 5.600 2.998 -6.286 1.00 0.43 C ATOM 548 C PHE A 36 6.925 2.252 -6.261 1.00 0.39 C ATOM 549 O PHE A 36 7.984 2.868 -6.381 1.00 0.45 O ATOM 550 CB PHE A 36 4.949 2.848 -7.669 1.00 0.48 C ATOM 551 CG PHE A 36 3.590 3.481 -7.789 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.456 4.856 -7.914 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.447 2.697 -7.787 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.207 5.435 -8.026 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.197 3.272 -7.900 1.00 0.81 C ATOM 556 CZ PHE A 36 1.077 4.643 -8.020 1.00 0.87 C ATOM 0 H PHE A 36 6.276 4.924 -6.733 1.00 0.47 H new ATOM 0 HA PHE A 36 4.923 2.581 -5.540 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.608 3.288 -8.417 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.864 1.787 -7.904 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.337 5.480 -7.924 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.535 1.624 -7.696 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.115 6.507 -8.118 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.314 2.651 -7.895 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.100 5.094 -8.109 1.00 0.87 H new ATOM 566 N ILE A 37 6.877 0.946 -6.078 1.00 0.36 N ATOM 567 CA ILE A 37 8.085 0.147 -6.127 1.00 0.33 C ATOM 568 C ILE A 37 8.446 -0.116 -7.583 1.00 0.33 C ATOM 569 O ILE A 37 7.737 -0.830 -8.287 1.00 0.38 O ATOM 570 CB ILE A 37 7.948 -1.205 -5.382 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.462 -1.013 -3.935 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.278 -1.948 -5.385 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.120 0.145 -3.211 1.00 0.38 C ATOM 0 H ILE A 37 6.022 0.420 -5.896 1.00 0.36 H new ATOM 0 HA ILE A 37 8.869 0.712 -5.622 1.00 0.33 H new ATOM 0 HB ILE A 37 7.200 -1.795 -5.912 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.383 -0.857 -3.943 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.648 -1.930 -3.376 1.00 0.39 H new ATOM 0 HG21 ILE A 37 9.167 -2.896 -4.858 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.586 -2.138 -6.413 1.00 0.33 H new ATOM 0 HG23 ILE A 37 10.034 -1.342 -4.886 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.724 0.213 -2.198 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.197 -0.017 -3.169 1.00 0.38 H new ATOM 0 HD13 ILE A 37 7.913 1.073 -3.745 1.00 0.38 H new ATOM 585 N ARG A 38 9.529 0.499 -8.031 1.00 0.34 N ATOM 586 CA ARG A 38 9.995 0.341 -9.403 1.00 0.41 C ATOM 587 C ARG A 38 10.479 -1.081 -9.624 1.00 0.40 C ATOM 588 O ARG A 38 10.133 -1.731 -10.611 1.00 0.49 O ATOM 589 CB ARG A 38 11.123 1.335 -9.676 1.00 0.50 C ATOM 590 CG ARG A 38 11.684 1.284 -11.086 1.00 0.67 C ATOM 591 CD ARG A 38 12.772 2.321 -11.258 1.00 1.24 C ATOM 592 NE ARG A 38 13.373 2.307 -12.586 1.00 1.56 N ATOM 593 CZ ARG A 38 14.377 3.111 -12.938 1.00 2.17 C ATOM 594 NH1 ARG A 38 14.894 3.946 -12.045 1.00 2.83 N ATOM 595 NH2 ARG A 38 14.870 3.075 -14.169 1.00 2.62 N ATOM 0 H ARG A 38 10.107 1.117 -7.461 1.00 0.34 H new ATOM 0 HA ARG A 38 9.173 0.539 -10.091 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.756 2.343 -9.481 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.932 1.149 -8.970 1.00 0.50 H new ATOM 0 HG2 ARG A 38 12.084 0.291 -11.289 1.00 0.67 H new ATOM 0 HG3 ARG A 38 10.887 1.461 -11.808 1.00 0.67 H new ATOM 0 HD2 ARG A 38 12.356 3.310 -11.065 1.00 1.24 H new ATOM 0 HD3 ARG A 38 13.549 2.150 -10.513 1.00 1.24 H new ATOM 0 HE ARG A 38 13.009 1.652 -13.278 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.523 3.970 -11.095 1.00 2.83 H new ATOM 0 HH12 ARG A 38 15.662 4.563 -12.309 1.00 2.83 H new ATOM 0 HH21 ARG A 38 14.481 2.429 -14.855 1.00 2.62 H new ATOM 0 HH22 ARG A 38 15.638 3.694 -14.429 1.00 2.62 H new ATOM 609 N SER A 39 11.273 -1.550 -8.683 1.00 0.36 N ATOM 610 CA SER A 39 11.782 -2.903 -8.696 1.00 0.40 C ATOM 611 C SER A 39 12.397 -3.210 -7.341 1.00 0.32 C ATOM 612 O SER A 39 13.151 -2.399 -6.799 1.00 0.37 O ATOM 613 CB SER A 39 12.817 -3.078 -9.816 1.00 0.54 C ATOM 614 OG SER A 39 13.860 -2.119 -9.712 1.00 1.26 O ATOM 0 H SER A 39 11.584 -0.998 -7.884 1.00 0.36 H new ATOM 0 HA SER A 39 10.966 -3.599 -8.888 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.238 -4.082 -9.771 1.00 0.54 H new ATOM 0 HB3 SER A 39 12.327 -2.981 -10.785 1.00 0.54 H new ATOM 0 HG SER A 39 14.504 -2.257 -10.437 1.00 1.26 H new ATOM 620 N VAL A 40 12.045 -4.344 -6.768 1.00 0.36 N ATOM 621 CA VAL A 40 12.630 -4.746 -5.505 1.00 0.30 C ATOM 622 C VAL A 40 13.809 -5.668 -5.768 1.00 0.31 C ATOM 623 O VAL A 40 13.701 -6.629 -6.532 1.00 0.37 O ATOM 624 CB VAL A 40 11.601 -5.435 -4.574 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.088 -6.740 -5.163 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.201 -5.674 -3.198 1.00 0.32 C ATOM 0 H VAL A 40 11.363 -4.998 -7.153 1.00 0.36 H new ATOM 0 HA VAL A 40 12.969 -3.847 -4.990 1.00 0.30 H new ATOM 0 HB VAL A 40 10.749 -4.762 -4.476 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.369 -7.190 -4.479 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.604 -6.542 -6.119 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.923 -7.424 -5.314 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.463 -6.159 -2.559 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.078 -6.314 -3.290 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.492 -4.721 -2.758 1.00 0.32 H new ATOM 636 N ASP A 41 14.946 -5.342 -5.180 1.00 0.35 N ATOM 637 CA ASP A 41 16.140 -6.150 -5.346 1.00 0.45 C ATOM 638 C ASP A 41 15.950 -7.477 -4.634 1.00 0.48 C ATOM 639 O ASP A 41 15.800 -7.514 -3.415 1.00 0.51 O ATOM 640 CB ASP A 41 17.371 -5.423 -4.796 1.00 0.54 C ATOM 641 CG ASP A 41 17.679 -4.139 -5.544 1.00 1.27 C ATOM 642 OD1 ASP A 41 17.752 -4.168 -6.792 1.00 1.32 O ATOM 643 OD2 ASP A 41 17.832 -3.088 -4.891 1.00 2.28 O ATOM 0 H ASP A 41 15.067 -4.524 -4.583 1.00 0.35 H new ATOM 0 HA ASP A 41 16.303 -6.327 -6.409 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.212 -5.195 -3.742 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.234 -6.086 -4.852 1.00 0.54 H new ATOM 648 N PRO A 42 15.931 -8.585 -5.387 1.00 0.58 N ATOM 649 CA PRO A 42 15.717 -9.917 -4.823 1.00 0.69 C ATOM 650 C PRO A 42 16.796 -10.281 -3.818 1.00 0.69 C ATOM 651 O PRO A 42 17.946 -9.851 -3.948 1.00 1.17 O ATOM 652 CB PRO A 42 15.765 -10.850 -6.039 1.00 0.84 C ATOM 653 CG PRO A 42 16.457 -10.068 -7.105 1.00 0.93 C ATOM 654 CD PRO A 42 16.127 -8.628 -6.844 1.00 0.69 C ATOM 0 HA PRO A 42 14.777 -9.984 -4.276 1.00 0.69 H new ATOM 0 HB2 PRO A 42 16.306 -11.768 -5.810 1.00 0.84 H new ATOM 0 HB3 PRO A 42 14.762 -11.141 -6.352 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.534 -10.233 -7.073 1.00 0.93 H new ATOM 0 HG3 PRO A 42 16.117 -10.373 -8.095 1.00 0.93 H new ATOM 0 HD2 PRO A 42 16.933 -7.967 -7.161 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.230 -8.317 -7.380 1.00 0.69 H new ATOM 662 N ASP A 43 16.409 -11.057 -2.810 1.00 0.75 N ATOM 663 CA ASP A 43 17.323 -11.461 -1.748 1.00 0.87 C ATOM 664 C ASP A 43 17.789 -10.233 -0.962 1.00 0.70 C ATOM 665 O ASP A 43 18.984 -9.972 -0.810 1.00 0.86 O ATOM 666 CB ASP A 43 18.509 -12.241 -2.337 1.00 1.14 C ATOM 667 CG ASP A 43 19.458 -12.781 -1.287 1.00 1.69 C ATOM 668 OD1 ASP A 43 19.005 -13.532 -0.401 1.00 1.92 O ATOM 669 OD2 ASP A 43 20.658 -12.435 -1.325 1.00 2.40 O ATOM 0 H ASP A 43 15.462 -11.420 -2.707 1.00 0.75 H new ATOM 0 HA ASP A 43 16.803 -12.123 -1.056 1.00 0.87 H new ATOM 0 HB2 ASP A 43 18.128 -13.071 -2.932 1.00 1.14 H new ATOM 0 HB3 ASP A 43 19.062 -11.590 -3.014 1.00 1.14 H new ATOM 674 N SER A 44 16.824 -9.452 -0.497 1.00 0.57 N ATOM 675 CA SER A 44 17.115 -8.289 0.333 1.00 0.48 C ATOM 676 C SER A 44 16.046 -8.132 1.409 1.00 0.40 C ATOM 677 O SER A 44 15.007 -8.793 1.335 1.00 0.39 O ATOM 678 CB SER A 44 17.179 -7.020 -0.525 1.00 0.47 C ATOM 679 OG SER A 44 15.891 -6.661 -1.002 1.00 0.46 O ATOM 0 H SER A 44 15.832 -9.602 -0.680 1.00 0.57 H new ATOM 0 HA SER A 44 18.083 -8.439 0.810 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.594 -6.201 0.062 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.851 -7.181 -1.368 1.00 0.47 H new ATOM 0 HG SER A 44 15.773 -7.002 -1.913 1.00 0.46 H new ATOM 685 N PRO A 45 16.269 -7.270 2.419 1.00 0.43 N ATOM 686 CA PRO A 45 15.263 -6.990 3.449 1.00 0.45 C ATOM 687 C PRO A 45 13.932 -6.551 2.840 1.00 0.38 C ATOM 688 O PRO A 45 12.863 -6.913 3.326 1.00 0.39 O ATOM 689 CB PRO A 45 15.882 -5.853 4.278 1.00 0.57 C ATOM 690 CG PRO A 45 17.048 -5.361 3.484 1.00 0.65 C ATOM 691 CD PRO A 45 17.514 -6.529 2.667 1.00 0.52 C ATOM 0 HA PRO A 45 15.033 -7.874 4.043 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.160 -5.055 4.448 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.199 -6.211 5.258 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.760 -4.527 2.844 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.842 -5.001 4.139 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.987 -6.210 1.738 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.244 -7.133 3.205 1.00 0.52 H new ATOM 699 N ALA A 46 14.010 -5.801 1.746 1.00 0.35 N ATOM 700 CA ALA A 46 12.822 -5.296 1.073 1.00 0.33 C ATOM 701 C ALA A 46 12.027 -6.438 0.451 1.00 0.30 C ATOM 702 O ALA A 46 10.812 -6.539 0.636 1.00 0.31 O ATOM 703 CB ALA A 46 13.213 -4.277 0.017 1.00 0.36 C ATOM 0 H ALA A 46 14.889 -5.529 1.306 1.00 0.35 H new ATOM 0 HA ALA A 46 12.187 -4.807 1.811 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.317 -3.906 -0.480 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.736 -3.446 0.490 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.867 -4.747 -0.718 1.00 0.36 H new ATOM 709 N GLU A 47 12.717 -7.305 -0.275 1.00 0.31 N ATOM 710 CA GLU A 47 12.085 -8.472 -0.871 1.00 0.33 C ATOM 711 C GLU A 47 11.531 -9.387 0.222 1.00 0.34 C ATOM 712 O GLU A 47 10.439 -9.937 0.091 1.00 0.40 O ATOM 713 CB GLU A 47 13.093 -9.215 -1.758 1.00 0.40 C ATOM 714 CG GLU A 47 12.610 -10.565 -2.273 1.00 0.53 C ATOM 715 CD GLU A 47 11.478 -10.450 -3.276 1.00 1.12 C ATOM 716 OE1 GLU A 47 10.307 -10.384 -2.857 1.00 2.01 O ATOM 717 OE2 GLU A 47 11.756 -10.447 -4.494 1.00 1.51 O ATOM 0 H GLU A 47 13.716 -7.222 -0.466 1.00 0.31 H new ATOM 0 HA GLU A 47 11.251 -8.151 -1.496 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.341 -8.583 -2.611 1.00 0.40 H new ATOM 0 HB3 GLU A 47 14.013 -9.364 -1.193 1.00 0.40 H new ATOM 0 HG2 GLU A 47 13.445 -11.090 -2.736 1.00 0.53 H new ATOM 0 HG3 GLU A 47 12.280 -11.172 -1.430 1.00 0.53 H new ATOM 724 N ALA A 48 12.272 -9.510 1.317 1.00 0.34 N ATOM 725 CA ALA A 48 11.854 -10.345 2.437 1.00 0.38 C ATOM 726 C ALA A 48 10.626 -9.769 3.140 1.00 0.37 C ATOM 727 O ALA A 48 9.759 -10.513 3.596 1.00 0.47 O ATOM 728 CB ALA A 48 12.997 -10.514 3.425 1.00 0.44 C ATOM 0 H ALA A 48 13.167 -9.041 1.453 1.00 0.34 H new ATOM 0 HA ALA A 48 11.581 -11.322 2.039 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.670 -11.140 4.256 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.843 -10.987 2.926 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.299 -9.537 3.803 1.00 0.44 H new ATOM 734 N SER A 49 10.551 -8.442 3.218 1.00 0.31 N ATOM 735 CA SER A 49 9.434 -7.769 3.865 1.00 0.32 C ATOM 736 C SER A 49 8.169 -7.859 3.006 1.00 0.35 C ATOM 737 O SER A 49 7.060 -7.597 3.477 1.00 0.40 O ATOM 738 CB SER A 49 9.803 -6.307 4.135 1.00 0.32 C ATOM 739 OG SER A 49 9.940 -5.574 2.930 1.00 0.31 O ATOM 0 H SER A 49 11.257 -7.811 2.838 1.00 0.31 H new ATOM 0 HA SER A 49 9.225 -8.265 4.813 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.036 -5.846 4.757 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.736 -6.264 4.696 1.00 0.32 H new ATOM 0 HG SER A 49 10.114 -6.192 2.189 1.00 0.31 H new ATOM 745 N GLY A 50 8.345 -8.231 1.744 1.00 0.36 N ATOM 746 CA GLY A 50 7.215 -8.429 0.857 1.00 0.43 C ATOM 747 C GLY A 50 6.895 -7.206 0.022 1.00 0.43 C ATOM 748 O GLY A 50 5.729 -6.896 -0.210 1.00 0.62 O ATOM 0 H GLY A 50 9.256 -8.400 1.317 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.423 -9.270 0.195 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.339 -8.698 1.448 1.00 0.43 H new ATOM 752 N LEU A 51 7.929 -6.515 -0.430 1.00 0.41 N ATOM 753 CA LEU A 51 7.767 -5.324 -1.258 1.00 0.40 C ATOM 754 C LEU A 51 7.596 -5.729 -2.721 1.00 0.48 C ATOM 755 O LEU A 51 8.509 -6.288 -3.327 1.00 0.65 O ATOM 756 CB LEU A 51 8.990 -4.423 -1.091 1.00 0.38 C ATOM 757 CG LEU A 51 8.765 -2.950 -1.412 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.677 -2.372 -0.520 1.00 0.38 C ATOM 759 CD2 LEU A 51 10.057 -2.171 -1.244 1.00 0.37 C ATOM 0 H LEU A 51 8.900 -6.759 -0.236 1.00 0.41 H new ATOM 0 HA LEU A 51 6.878 -4.777 -0.945 1.00 0.40 H new ATOM 0 HB2 LEU A 51 9.342 -4.504 -0.063 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.788 -4.799 -1.731 1.00 0.38 H new ATOM 0 HG LEU A 51 8.441 -2.866 -2.449 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.529 -1.320 -0.762 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.746 -2.916 -0.682 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.975 -2.466 0.524 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.881 -1.121 -1.477 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.405 -2.262 -0.215 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.813 -2.571 -1.920 1.00 0.37 H new ATOM 771 N ARG A 52 6.419 -5.473 -3.273 1.00 0.53 N ATOM 772 CA ARG A 52 6.113 -5.859 -4.646 1.00 0.65 C ATOM 773 C ARG A 52 6.399 -4.707 -5.603 1.00 0.55 C ATOM 774 O ARG A 52 6.050 -3.562 -5.329 1.00 0.61 O ATOM 775 CB ARG A 52 4.652 -6.288 -4.754 1.00 0.86 C ATOM 776 CG ARG A 52 4.199 -6.623 -6.165 1.00 1.23 C ATOM 777 CD ARG A 52 2.716 -6.951 -6.200 1.00 2.05 C ATOM 778 NE ARG A 52 2.407 -8.213 -5.528 1.00 2.59 N ATOM 779 CZ ARG A 52 1.809 -8.311 -4.336 1.00 3.57 C ATOM 780 NH1 ARG A 52 1.518 -7.222 -3.628 1.00 4.13 N ATOM 781 NH2 ARG A 52 1.517 -9.508 -3.845 1.00 4.38 N ATOM 0 H ARG A 52 5.656 -4.998 -2.790 1.00 0.53 H new ATOM 0 HA ARG A 52 6.750 -6.700 -4.922 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.494 -7.159 -4.118 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.022 -5.489 -4.363 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.404 -5.781 -6.826 1.00 1.23 H new ATOM 0 HG3 ARG A 52 4.771 -7.471 -6.542 1.00 1.23 H new ATOM 0 HD2 ARG A 52 2.157 -6.144 -5.726 1.00 2.05 H new ATOM 0 HD3 ARG A 52 2.383 -7.004 -7.237 1.00 2.05 H new ATOM 0 HE ARG A 52 2.666 -9.079 -6.002 1.00 2.59 H new ATOM 0 HH11 ARG A 52 1.751 -6.299 -3.993 1.00 4.13 H new ATOM 0 HH12 ARG A 52 1.062 -7.311 -2.720 1.00 4.13 H new ATOM 0 HH21 ARG A 52 1.749 -10.347 -4.376 1.00 4.38 H new ATOM 0 HH22 ARG A 52 1.061 -9.589 -2.936 1.00 4.38 H new ATOM 795 N ALA A 53 6.996 -5.029 -6.744 1.00 0.53 N ATOM 796 CA ALA A 53 7.479 -4.018 -7.682 1.00 0.54 C ATOM 797 C ALA A 53 6.369 -3.484 -8.591 1.00 0.61 C ATOM 798 O ALA A 53 6.601 -3.207 -9.768 1.00 1.44 O ATOM 799 CB ALA A 53 8.617 -4.586 -8.516 1.00 0.68 C ATOM 0 H ALA A 53 7.159 -5.990 -7.045 1.00 0.53 H new ATOM 0 HA ALA A 53 7.841 -3.175 -7.093 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.972 -3.827 -9.213 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.434 -4.887 -7.860 1.00 0.68 H new ATOM 0 HB3 ALA A 53 8.262 -5.453 -9.074 1.00 0.68 H new ATOM 805 N GLN A 54 5.166 -3.361 -8.050 1.00 0.65 N ATOM 806 CA GLN A 54 4.061 -2.708 -8.753 1.00 0.74 C ATOM 807 C GLN A 54 3.201 -1.925 -7.774 1.00 0.59 C ATOM 808 O GLN A 54 2.232 -1.273 -8.167 1.00 0.67 O ATOM 809 CB GLN A 54 3.167 -3.726 -9.462 1.00 0.99 C ATOM 810 CG GLN A 54 3.838 -4.499 -10.581 1.00 1.46 C ATOM 811 CD GLN A 54 2.885 -5.451 -11.274 1.00 2.34 C ATOM 812 OE1 GLN A 54 3.043 -5.759 -12.453 1.00 2.99 O ATOM 813 NE2 GLN A 54 1.878 -5.910 -10.548 1.00 3.06 N ATOM 0 H GLN A 54 4.925 -3.706 -7.121 1.00 0.65 H new ATOM 0 HA GLN A 54 4.503 -2.040 -9.492 1.00 0.74 H new ATOM 0 HB2 GLN A 54 2.794 -4.436 -8.724 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.301 -3.205 -9.869 1.00 0.99 H new ATOM 0 HG2 GLN A 54 4.243 -3.799 -11.311 1.00 1.46 H new ATOM 0 HG3 GLN A 54 4.680 -5.061 -10.177 1.00 1.46 H new ATOM 0 HE21 GLN A 54 1.783 -5.629 -9.572 1.00 3.06 H new ATOM 0 HE22 GLN A 54 1.197 -6.545 -10.965 1.00 3.06 H new ATOM 822 N ASP A 55 3.566 -1.979 -6.504 1.00 0.47 N ATOM 823 CA ASP A 55 2.700 -1.481 -5.450 1.00 0.45 C ATOM 824 C ASP A 55 3.101 -0.077 -5.036 1.00 0.39 C ATOM 825 O ASP A 55 4.259 0.319 -5.186 1.00 0.48 O ATOM 826 CB ASP A 55 2.738 -2.416 -4.237 1.00 0.50 C ATOM 827 CG ASP A 55 2.205 -3.806 -4.538 1.00 0.67 C ATOM 828 OD1 ASP A 55 1.874 -4.091 -5.709 1.00 1.02 O ATOM 829 OD2 ASP A 55 2.124 -4.629 -3.602 1.00 1.01 O ATOM 0 H ASP A 55 4.454 -2.362 -6.179 1.00 0.47 H new ATOM 0 HA ASP A 55 1.682 -1.449 -5.839 1.00 0.45 H new ATOM 0 HB2 ASP A 55 3.765 -2.497 -3.880 1.00 0.50 H new ATOM 0 HB3 ASP A 55 2.153 -1.977 -3.429 1.00 0.50 H new ATOM 834 N ARG A 56 2.138 0.670 -4.522 1.00 0.38 N ATOM 835 CA ARG A 56 2.372 2.042 -4.096 1.00 0.42 C ATOM 836 C ARG A 56 2.561 2.112 -2.591 1.00 0.39 C ATOM 837 O ARG A 56 1.785 1.526 -1.839 1.00 0.39 O ATOM 838 CB ARG A 56 1.188 2.931 -4.474 1.00 0.56 C ATOM 839 CG ARG A 56 1.381 4.399 -4.112 1.00 0.78 C ATOM 840 CD ARG A 56 0.049 5.107 -3.910 1.00 0.79 C ATOM 841 NE ARG A 56 -0.829 4.969 -5.068 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.004 4.347 -5.039 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.446 3.809 -3.910 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.748 4.272 -6.132 1.00 1.57 N ATOM 0 H ARG A 56 1.180 0.347 -4.389 1.00 0.38 H new ATOM 0 HA ARG A 56 3.274 2.392 -4.598 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.013 2.851 -5.547 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.292 2.558 -3.977 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.975 4.474 -3.201 1.00 0.78 H new ATOM 0 HG3 ARG A 56 1.943 4.898 -4.902 1.00 0.78 H new ATOM 0 HD2 ARG A 56 -0.447 4.700 -3.029 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.227 6.165 -3.715 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.523 5.374 -5.953 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.884 3.872 -3.061 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -3.348 3.333 -3.891 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -2.421 4.693 -7.002 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.648 3.794 -6.104 1.00 1.57 H new ATOM 858 N ILE A 57 3.579 2.841 -2.162 1.00 0.40 N ATOM 859 CA ILE A 57 3.777 3.119 -0.754 1.00 0.38 C ATOM 860 C ILE A 57 2.742 4.137 -0.297 1.00 0.38 C ATOM 861 O ILE A 57 2.639 5.231 -0.857 1.00 0.49 O ATOM 862 CB ILE A 57 5.198 3.667 -0.491 1.00 0.46 C ATOM 863 CG1 ILE A 57 6.252 2.638 -0.910 1.00 0.53 C ATOM 864 CG2 ILE A 57 5.369 4.043 0.972 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.680 3.118 -0.731 1.00 0.68 C ATOM 0 H ILE A 57 4.283 3.252 -2.775 1.00 0.40 H new ATOM 0 HA ILE A 57 3.662 2.191 -0.194 1.00 0.38 H new ATOM 0 HB ILE A 57 5.335 4.567 -1.090 1.00 0.46 H new ATOM 0 HG12 ILE A 57 6.109 1.727 -0.328 1.00 0.53 H new ATOM 0 HG13 ILE A 57 6.095 2.376 -1.956 1.00 0.53 H new ATOM 0 HG21 ILE A 57 6.377 4.426 1.134 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.642 4.810 1.238 1.00 0.45 H new ATOM 0 HG23 ILE A 57 5.211 3.162 1.595 1.00 0.45 H new ATOM 0 HD11 ILE A 57 8.369 2.336 -1.049 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.842 4.011 -1.334 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.856 3.353 0.319 1.00 0.68 H new ATOM 877 N VAL A 58 1.968 3.765 0.702 1.00 0.29 N ATOM 878 CA VAL A 58 0.932 4.630 1.226 1.00 0.32 C ATOM 879 C VAL A 58 1.353 5.210 2.570 1.00 0.30 C ATOM 880 O VAL A 58 1.227 6.408 2.805 1.00 0.37 O ATOM 881 CB VAL A 58 -0.408 3.881 1.386 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.512 4.842 1.798 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.779 3.152 0.100 1.00 0.62 C ATOM 0 H VAL A 58 2.038 2.862 1.170 1.00 0.29 H new ATOM 0 HA VAL A 58 0.790 5.438 0.508 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.290 3.137 2.174 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.449 4.295 1.906 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.253 5.308 2.748 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -1.627 5.612 1.035 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.727 2.632 0.237 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -0.875 3.873 -0.712 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.001 2.430 -0.146 1.00 0.62 H new ATOM 893 N GLU A 59 1.866 4.356 3.444 1.00 0.24 N ATOM 894 CA GLU A 59 2.305 4.795 4.760 1.00 0.25 C ATOM 895 C GLU A 59 3.725 4.324 5.036 1.00 0.22 C ATOM 896 O GLU A 59 4.112 3.225 4.641 1.00 0.23 O ATOM 897 CB GLU A 59 1.374 4.273 5.861 1.00 0.29 C ATOM 898 CG GLU A 59 -0.062 4.755 5.745 1.00 0.40 C ATOM 899 CD GLU A 59 -0.871 4.461 6.990 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.439 3.356 7.097 1.00 0.43 O ATOM 901 OE2 GLU A 59 -0.954 5.342 7.868 1.00 0.89 O ATOM 0 H GLU A 59 1.988 3.359 3.266 1.00 0.24 H new ATOM 0 HA GLU A 59 2.277 5.885 4.766 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.382 3.183 5.841 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.770 4.577 6.830 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.068 5.828 5.556 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.535 4.278 4.887 1.00 0.40 H new ATOM 908 N VAL A 60 4.496 5.173 5.698 1.00 0.22 N ATOM 909 CA VAL A 60 5.831 4.816 6.156 1.00 0.21 C ATOM 910 C VAL A 60 5.911 4.989 7.666 1.00 0.22 C ATOM 911 O VAL A 60 5.706 6.088 8.175 1.00 0.27 O ATOM 912 CB VAL A 60 6.923 5.682 5.496 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.303 5.249 5.967 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.829 5.617 3.980 1.00 0.66 C ATOM 0 H VAL A 60 4.216 6.125 5.932 1.00 0.22 H new ATOM 0 HA VAL A 60 6.007 3.778 5.875 1.00 0.21 H new ATOM 0 HB VAL A 60 6.763 6.717 5.798 1.00 0.23 H new ATOM 0 HG11 VAL A 60 9.061 5.871 5.491 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.369 5.360 7.049 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.468 4.206 5.698 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.610 6.237 3.540 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.956 4.585 3.651 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.853 5.982 3.660 1.00 0.66 H new ATOM 924 N ASN A 61 6.179 3.894 8.372 1.00 0.25 N ATOM 925 CA ASN A 61 6.248 3.895 9.839 1.00 0.30 C ATOM 926 C ASN A 61 4.896 4.268 10.445 1.00 0.36 C ATOM 927 O ASN A 61 4.815 4.668 11.604 1.00 0.47 O ATOM 928 CB ASN A 61 7.315 4.875 10.355 1.00 0.39 C ATOM 929 CG ASN A 61 8.693 4.634 9.771 1.00 0.53 C ATOM 930 OD1 ASN A 61 9.062 3.503 9.441 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.467 5.700 9.647 1.00 0.61 N ATOM 0 H ASN A 61 6.355 2.982 7.950 1.00 0.25 H new ATOM 0 HA ASN A 61 6.521 2.885 10.145 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.004 5.893 10.122 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.371 4.799 11.441 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.408 5.605 9.266 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.122 6.617 9.932 1.00 0.61 H new ATOM 938 N GLY A 62 3.838 4.135 9.654 1.00 0.37 N ATOM 939 CA GLY A 62 2.517 4.527 10.107 1.00 0.50 C ATOM 940 C GLY A 62 2.180 5.960 9.738 1.00 0.51 C ATOM 941 O GLY A 62 1.139 6.484 10.133 1.00 0.66 O ATOM 0 H GLY A 62 3.872 3.762 8.705 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.774 3.859 9.672 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.457 4.410 11.189 1.00 0.50 H new ATOM 945 N VAL A 63 3.074 6.598 8.994 1.00 0.42 N ATOM 946 CA VAL A 63 2.847 7.954 8.508 1.00 0.50 C ATOM 947 C VAL A 63 2.346 7.916 7.070 1.00 0.43 C ATOM 948 O VAL A 63 3.058 7.472 6.168 1.00 0.39 O ATOM 949 CB VAL A 63 4.138 8.799 8.572 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.872 10.227 8.126 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.723 8.775 9.974 1.00 1.17 C ATOM 0 H VAL A 63 3.968 6.196 8.712 1.00 0.42 H new ATOM 0 HA VAL A 63 2.098 8.415 9.152 1.00 0.50 H new ATOM 0 HB VAL A 63 4.866 8.361 7.889 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.796 10.803 8.180 1.00 0.98 H new ATOM 0 HG12 VAL A 63 3.504 10.225 7.100 1.00 0.98 H new ATOM 0 HG13 VAL A 63 3.125 10.679 8.778 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.632 9.376 9.999 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.998 9.184 10.678 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.959 7.748 10.252 1.00 1.17 H new ATOM 961 N CYS A 64 1.120 8.369 6.862 1.00 0.49 N ATOM 962 CA CYS A 64 0.501 8.326 5.548 1.00 0.49 C ATOM 963 C CYS A 64 1.092 9.402 4.643 1.00 0.47 C ATOM 964 O CYS A 64 1.189 10.571 5.019 1.00 0.51 O ATOM 965 CB CYS A 64 -1.016 8.493 5.670 1.00 0.59 C ATOM 966 SG CYS A 64 -1.923 8.275 4.119 1.00 1.68 S ATOM 0 H CYS A 64 0.532 8.773 7.591 1.00 0.49 H new ATOM 0 HA CYS A 64 0.705 7.354 5.098 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.390 7.774 6.399 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.229 9.487 6.064 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.195 8.435 4.334 1.00 1.68 H new ATOM 972 N MET A 65 1.492 8.997 3.449 1.00 0.48 N ATOM 973 CA MET A 65 2.139 9.898 2.512 1.00 0.53 C ATOM 974 C MET A 65 1.142 10.446 1.503 1.00 0.61 C ATOM 975 O MET A 65 1.363 10.409 0.292 1.00 0.81 O ATOM 976 CB MET A 65 3.294 9.185 1.817 1.00 0.61 C ATOM 977 CG MET A 65 4.380 8.761 2.788 1.00 0.63 C ATOM 978 SD MET A 65 5.015 10.154 3.739 1.00 0.61 S ATOM 979 CE MET A 65 6.066 9.309 4.912 1.00 0.74 C ATOM 0 H MET A 65 1.379 8.044 3.105 1.00 0.48 H new ATOM 0 HA MET A 65 2.540 10.747 3.065 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.914 8.307 1.295 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.723 9.844 1.062 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.984 8.008 3.469 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.197 8.295 2.237 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.704 10.034 5.417 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.449 8.794 5.648 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.686 8.583 4.387 1.00 0.74 H new ATOM 989 N GLU A 66 0.047 10.971 2.025 1.00 0.83 N ATOM 990 CA GLU A 66 -0.994 11.565 1.199 1.00 1.01 C ATOM 991 C GLU A 66 -0.570 12.951 0.727 1.00 1.08 C ATOM 992 O GLU A 66 -0.545 13.903 1.506 1.00 1.86 O ATOM 993 CB GLU A 66 -2.306 11.661 1.982 1.00 1.29 C ATOM 994 CG GLU A 66 -3.430 12.352 1.222 1.00 2.19 C ATOM 995 CD GLU A 66 -4.630 12.645 2.101 1.00 3.03 C ATOM 996 OE1 GLU A 66 -4.497 13.435 3.058 1.00 3.75 O ATOM 997 OE2 GLU A 66 -5.708 12.071 1.842 1.00 3.33 O ATOM 0 H GLU A 66 -0.146 10.999 3.026 1.00 0.83 H new ATOM 0 HA GLU A 66 -1.148 10.927 0.329 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.629 10.656 2.255 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.124 12.200 2.912 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -3.058 13.285 0.798 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.740 11.723 0.387 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.209 13.052 -0.546 1.00 1.21 N ATOM 1005 CA GLY A 67 0.149 14.338 -1.116 1.00 1.36 C ATOM 1006 C GLY A 67 1.606 14.689 -0.898 1.00 1.24 C ATOM 1007 O GLY A 67 2.078 15.726 -1.365 1.00 1.47 O ATOM 0 H GLY A 67 -0.158 12.267 -1.195 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.062 14.328 -2.185 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -0.477 15.113 -0.675 1.00 1.36 H new ATOM 1011 N LYS A 68 2.317 13.820 -0.191 1.00 0.97 N ATOM 1012 CA LYS A 68 3.729 14.030 0.095 1.00 0.87 C ATOM 1013 C LYS A 68 4.567 13.966 -1.174 1.00 0.90 C ATOM 1014 O LYS A 68 4.138 13.426 -2.198 1.00 1.06 O ATOM 1015 CB LYS A 68 4.228 12.985 1.088 1.00 0.73 C ATOM 1016 CG LYS A 68 3.514 13.024 2.423 1.00 1.24 C ATOM 1017 CD LYS A 68 3.633 14.385 3.085 1.00 2.01 C ATOM 1018 CE LYS A 68 3.090 14.350 4.500 1.00 2.81 C ATOM 1019 NZ LYS A 68 3.849 13.395 5.355 1.00 3.36 N ATOM 0 H LYS A 68 1.935 12.957 0.197 1.00 0.97 H new ATOM 0 HA LYS A 68 3.834 15.025 0.528 1.00 0.87 H new ATOM 0 HB2 LYS A 68 4.107 11.994 0.650 1.00 0.73 H new ATOM 0 HB3 LYS A 68 5.295 13.133 1.252 1.00 0.73 H new ATOM 0 HG2 LYS A 68 2.461 12.780 2.280 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.931 12.262 3.081 1.00 1.24 H new ATOM 0 HD2 LYS A 68 4.678 14.696 3.100 1.00 2.01 H new ATOM 0 HD3 LYS A 68 3.088 15.126 2.501 1.00 2.01 H new ATOM 0 HE2 LYS A 68 3.141 15.348 4.935 1.00 2.81 H new ATOM 0 HE3 LYS A 68 2.038 14.065 4.480 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 3.822 13.717 6.344 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.419 12.450 5.286 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 4.837 13.350 5.033 1.00 3.36 H new ATOM 1033 N GLN A 69 5.764 14.524 -1.095 1.00 0.87 N ATOM 1034 CA GLN A 69 6.683 14.526 -2.218 1.00 0.93 C ATOM 1035 C GLN A 69 7.753 13.464 -2.025 1.00 0.81 C ATOM 1036 O GLN A 69 7.806 12.827 -0.969 1.00 0.74 O ATOM 1037 CB GLN A 69 7.324 15.906 -2.385 1.00 1.07 C ATOM 1038 CG GLN A 69 6.316 17.017 -2.620 1.00 1.33 C ATOM 1039 CD GLN A 69 5.474 16.786 -3.859 1.00 2.12 C ATOM 1040 OE1 GLN A 69 5.926 16.181 -4.832 1.00 2.64 O ATOM 1041 NE2 GLN A 69 4.244 17.265 -3.835 1.00 2.89 N ATOM 0 H GLN A 69 6.122 14.984 -0.258 1.00 0.87 H new ATOM 0 HA GLN A 69 6.123 14.295 -3.124 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.907 16.138 -1.494 1.00 1.07 H new ATOM 0 HB3 GLN A 69 8.021 15.875 -3.222 1.00 1.07 H new ATOM 0 HG2 GLN A 69 5.663 17.100 -1.751 1.00 1.33 H new ATOM 0 HG3 GLN A 69 6.843 17.967 -2.715 1.00 1.33 H new ATOM 0 HE21 GLN A 69 3.906 17.761 -3.010 1.00 2.89 H new ATOM 0 HE22 GLN A 69 3.632 17.139 -4.641 1.00 2.89 H new ATOM 1050 N HIS A 70 8.610 13.294 -3.027 1.00 0.84 N ATOM 1051 CA HIS A 70 9.626 12.241 -3.019 1.00 0.79 C ATOM 1052 C HIS A 70 10.483 12.297 -1.751 1.00 0.70 C ATOM 1053 O HIS A 70 10.749 11.270 -1.126 1.00 0.65 O ATOM 1054 CB HIS A 70 10.513 12.374 -4.270 1.00 0.88 C ATOM 1055 CG HIS A 70 11.513 11.267 -4.457 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.479 10.387 -5.523 1.00 1.42 N ATOM 1057 CD2 HIS A 70 12.591 10.910 -3.719 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.494 9.547 -5.429 1.00 1.31 C ATOM 1059 NE2 HIS A 70 13.180 9.843 -4.345 1.00 1.13 N ATOM 0 H HIS A 70 8.622 13.877 -3.864 1.00 0.84 H new ATOM 0 HA HIS A 70 9.120 11.276 -3.030 1.00 0.79 H new ATOM 0 HB2 HIS A 70 9.871 12.417 -5.150 1.00 0.88 H new ATOM 0 HB3 HIS A 70 11.048 13.322 -4.219 1.00 0.88 H new ATOM 0 HD2 HIS A 70 12.925 11.380 -2.806 1.00 1.37 H new ATOM 0 HE1 HIS A 70 12.722 8.752 -6.124 1.00 1.31 H new ATOM 0 HE2 HIS A 70 14.016 9.356 -4.023 1.00 1.13 H new ATOM 1068 N GLY A 71 10.885 13.498 -1.357 1.00 0.72 N ATOM 1069 CA GLY A 71 11.769 13.646 -0.218 1.00 0.69 C ATOM 1070 C GLY A 71 11.116 13.269 1.097 1.00 0.62 C ATOM 1071 O GLY A 71 11.738 12.606 1.928 1.00 0.62 O ATOM 0 H GLY A 71 10.614 14.373 -1.806 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.652 13.025 -0.369 1.00 0.69 H new ATOM 0 HA3 GLY A 71 12.111 14.680 -0.163 1.00 0.69 H new ATOM 1075 N ASP A 72 9.863 13.675 1.282 1.00 0.61 N ATOM 1076 CA ASP A 72 9.156 13.433 2.543 1.00 0.58 C ATOM 1077 C ASP A 72 8.996 11.939 2.791 1.00 0.49 C ATOM 1078 O ASP A 72 9.164 11.461 3.915 1.00 0.44 O ATOM 1079 CB ASP A 72 7.776 14.101 2.533 1.00 0.68 C ATOM 1080 CG ASP A 72 7.195 14.272 3.927 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.474 15.309 4.565 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.446 13.386 4.392 1.00 2.03 O ATOM 0 H ASP A 72 9.315 14.172 0.580 1.00 0.61 H new ATOM 0 HA ASP A 72 9.752 13.867 3.346 1.00 0.58 H new ATOM 0 HB2 ASP A 72 7.853 15.077 2.054 1.00 0.68 H new ATOM 0 HB3 ASP A 72 7.092 13.503 1.930 1.00 0.68 H new ATOM 1087 N VAL A 73 8.695 11.204 1.728 1.00 0.50 N ATOM 1088 CA VAL A 73 8.477 9.769 1.827 1.00 0.45 C ATOM 1089 C VAL A 73 9.790 9.039 2.113 1.00 0.44 C ATOM 1090 O VAL A 73 9.863 8.200 3.010 1.00 0.43 O ATOM 1091 CB VAL A 73 7.846 9.207 0.533 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.563 7.718 0.668 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.573 9.966 0.184 1.00 0.97 C ATOM 0 H VAL A 73 8.596 11.581 0.785 1.00 0.50 H new ATOM 0 HA VAL A 73 7.786 9.602 2.654 1.00 0.45 H new ATOM 0 HB VAL A 73 8.561 9.343 -0.279 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.119 7.347 -0.256 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.495 7.187 0.862 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.872 7.552 1.495 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.144 9.556 -0.730 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.855 9.867 0.998 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.807 11.020 0.033 1.00 0.97 H new ATOM 1103 N VAL A 74 10.835 9.386 1.365 1.00 0.49 N ATOM 1104 CA VAL A 74 12.129 8.720 1.498 1.00 0.53 C ATOM 1105 C VAL A 74 12.785 9.041 2.840 1.00 0.51 C ATOM 1106 O VAL A 74 13.362 8.163 3.486 1.00 0.52 O ATOM 1107 CB VAL A 74 13.088 9.105 0.349 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.447 8.447 0.527 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.486 8.717 -0.990 1.00 0.70 C ATOM 0 H VAL A 74 10.811 10.124 0.661 1.00 0.49 H new ATOM 0 HA VAL A 74 11.936 7.648 1.447 1.00 0.53 H new ATOM 0 HB VAL A 74 13.230 10.185 0.373 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.101 8.735 -0.296 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.887 8.770 1.471 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.329 7.363 0.534 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.172 8.994 -1.791 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.315 7.641 -1.014 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.538 9.238 -1.127 1.00 0.70 H new ATOM 1119 N SER A 75 12.681 10.293 3.260 1.00 0.51 N ATOM 1120 CA SER A 75 13.277 10.728 4.512 1.00 0.52 C ATOM 1121 C SER A 75 12.669 9.964 5.684 1.00 0.47 C ATOM 1122 O SER A 75 13.377 9.571 6.609 1.00 0.51 O ATOM 1123 CB SER A 75 13.078 12.233 4.699 1.00 0.58 C ATOM 1124 OG SER A 75 13.810 12.717 5.813 1.00 0.66 O ATOM 0 H SER A 75 12.188 11.026 2.750 1.00 0.51 H new ATOM 0 HA SER A 75 14.346 10.519 4.479 1.00 0.52 H new ATOM 0 HB2 SER A 75 13.394 12.758 3.798 1.00 0.58 H new ATOM 0 HB3 SER A 75 12.018 12.447 4.837 1.00 0.58 H new ATOM 0 HG SER A 75 13.664 13.682 5.906 1.00 0.66 H new ATOM 1130 N ALA A 76 11.362 9.724 5.622 1.00 0.42 N ATOM 1131 CA ALA A 76 10.664 9.012 6.685 1.00 0.39 C ATOM 1132 C ALA A 76 11.156 7.572 6.798 1.00 0.37 C ATOM 1133 O ALA A 76 11.305 7.044 7.899 1.00 0.39 O ATOM 1134 CB ALA A 76 9.166 9.042 6.452 1.00 0.39 C ATOM 0 H ALA A 76 10.766 10.013 4.846 1.00 0.42 H new ATOM 0 HA ALA A 76 10.881 9.518 7.626 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.662 8.505 7.256 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.821 10.076 6.434 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.936 8.566 5.499 1.00 0.39 H new ATOM 1140 N ILE A 77 11.415 6.945 5.653 1.00 0.37 N ATOM 1141 CA ILE A 77 11.946 5.585 5.621 1.00 0.39 C ATOM 1142 C ILE A 77 13.275 5.522 6.366 1.00 0.41 C ATOM 1143 O ILE A 77 13.509 4.638 7.192 1.00 0.44 O ATOM 1144 CB ILE A 77 12.163 5.118 4.166 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.864 5.234 3.372 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.680 3.689 4.130 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.043 5.032 1.886 1.00 0.69 C ATOM 0 H ILE A 77 11.265 7.359 4.733 1.00 0.37 H new ATOM 0 HA ILE A 77 11.222 4.929 6.104 1.00 0.39 H new ATOM 0 HB ILE A 77 12.912 5.764 3.707 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.152 4.499 3.747 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.428 6.218 3.546 1.00 0.53 H new ATOM 0 HG21 ILE A 77 12.826 3.381 3.095 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.629 3.632 4.663 1.00 0.50 H new ATOM 0 HG23 ILE A 77 11.956 3.028 4.607 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.079 5.129 1.387 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.730 5.783 1.497 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.450 4.038 1.700 1.00 0.69 H new ATOM 1159 N ARG A 78 14.126 6.496 6.086 1.00 0.43 N ATOM 1160 CA ARG A 78 15.453 6.562 6.679 1.00 0.50 C ATOM 1161 C ARG A 78 15.387 7.006 8.139 1.00 0.50 C ATOM 1162 O ARG A 78 16.266 6.685 8.940 1.00 0.56 O ATOM 1163 CB ARG A 78 16.335 7.503 5.858 1.00 0.58 C ATOM 1164 CG ARG A 78 16.557 6.998 4.442 1.00 0.66 C ATOM 1165 CD ARG A 78 17.408 7.947 3.620 1.00 0.89 C ATOM 1166 NE ARG A 78 17.590 7.460 2.254 1.00 1.59 N ATOM 1167 CZ ARG A 78 17.933 8.232 1.222 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.230 9.510 1.415 1.00 2.12 N ATOM 1169 NH2 ARG A 78 18.007 7.713 0.001 1.00 3.09 N ATOM 0 H ARG A 78 13.918 7.261 5.444 1.00 0.43 H new ATOM 0 HA ARG A 78 15.892 5.564 6.666 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.873 8.490 5.821 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.298 7.620 6.355 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.038 6.021 4.478 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.593 6.861 3.952 1.00 0.66 H new ATOM 0 HD2 ARG A 78 16.939 8.930 3.597 1.00 0.89 H new ATOM 0 HD3 ARG A 78 18.381 8.069 4.096 1.00 0.89 H new ATOM 0 HE ARG A 78 17.445 6.466 2.079 1.00 1.59 H new ATOM 0 HH11 ARG A 78 18.196 9.905 2.355 1.00 2.12 H new ATOM 0 HH12 ARG A 78 18.492 10.098 0.624 1.00 2.12 H new ATOM 0 HH21 ARG A 78 17.802 6.725 -0.146 1.00 3.09 H new ATOM 0 HH22 ARG A 78 18.269 8.303 -0.789 1.00 3.09 H new ATOM 1183 N ALA A 79 14.334 7.732 8.481 1.00 0.47 N ATOM 1184 CA ALA A 79 14.134 8.204 9.845 1.00 0.51 C ATOM 1185 C ALA A 79 13.420 7.153 10.694 1.00 0.43 C ATOM 1186 O ALA A 79 13.111 7.389 11.864 1.00 0.46 O ATOM 1187 CB ALA A 79 13.347 9.506 9.848 1.00 0.65 C ATOM 0 H ALA A 79 13.600 8.009 7.829 1.00 0.47 H new ATOM 0 HA ALA A 79 15.115 8.385 10.283 1.00 0.51 H new ATOM 0 HB1 ALA A 79 13.207 9.844 10.875 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.895 10.264 9.288 1.00 0.65 H new ATOM 0 HB3 ALA A 79 12.374 9.344 9.383 1.00 0.65 H new ATOM 1193 N GLY A 80 13.171 5.986 10.109 1.00 0.41 N ATOM 1194 CA GLY A 80 12.530 4.906 10.838 1.00 0.42 C ATOM 1195 C GLY A 80 13.506 4.141 11.709 1.00 0.46 C ATOM 1196 O GLY A 80 13.173 3.097 12.270 1.00 0.60 O ATOM 0 H GLY A 80 13.402 5.768 9.140 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.733 5.313 11.460 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.063 4.220 10.131 1.00 0.42 H new ATOM 1200 N GLY A 81 14.716 4.662 11.827 1.00 0.49 N ATOM 1201 CA GLY A 81 15.728 4.005 12.615 1.00 0.63 C ATOM 1202 C GLY A 81 16.558 3.065 11.777 1.00 0.64 C ATOM 1203 O GLY A 81 17.195 3.486 10.807 1.00 1.10 O ATOM 0 H GLY A 81 15.014 5.533 11.388 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.375 4.752 13.074 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.256 3.450 13.426 1.00 0.63 H new ATOM 1207 N ASP A 82 16.547 1.792 12.136 1.00 0.43 N ATOM 1208 CA ASP A 82 17.298 0.796 11.389 1.00 0.44 C ATOM 1209 C ASP A 82 16.351 -0.087 10.587 1.00 0.39 C ATOM 1210 O ASP A 82 16.689 -0.558 9.504 1.00 0.55 O ATOM 1211 CB ASP A 82 18.147 -0.055 12.331 1.00 0.55 C ATOM 1212 CG ASP A 82 19.325 -0.693 11.625 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.204 0.044 11.131 1.00 1.97 O ATOM 1214 OD2 ASP A 82 19.371 -1.939 11.554 1.00 2.12 O ATOM 0 H ASP A 82 16.030 1.425 12.935 1.00 0.43 H new ATOM 0 HA ASP A 82 17.964 1.313 10.698 1.00 0.44 H new ATOM 0 HB2 ASP A 82 18.510 0.566 13.150 1.00 0.55 H new ATOM 0 HB3 ASP A 82 17.526 -0.834 12.773 1.00 0.55 H new ATOM 1219 N GLU A 83 15.158 -0.296 11.116 1.00 0.38 N ATOM 1220 CA GLU A 83 14.129 -1.046 10.410 1.00 0.39 C ATOM 1221 C GLU A 83 12.889 -0.185 10.215 1.00 0.38 C ATOM 1222 O GLU A 83 12.470 0.532 11.123 1.00 0.53 O ATOM 1223 CB GLU A 83 13.775 -2.335 11.155 1.00 0.47 C ATOM 1224 CG GLU A 83 13.895 -2.224 12.658 1.00 0.86 C ATOM 1225 CD GLU A 83 13.015 -3.212 13.386 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.850 -2.870 13.669 1.00 2.00 O ATOM 1227 OE2 GLU A 83 13.484 -4.328 13.681 1.00 2.11 O ATOM 0 H GLU A 83 14.876 0.044 12.035 1.00 0.38 H new ATOM 0 HA GLU A 83 14.522 -1.323 9.432 1.00 0.39 H new ATOM 0 HB2 GLU A 83 12.754 -2.621 10.902 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.427 -3.136 10.806 1.00 0.47 H new ATOM 0 HG2 GLU A 83 14.933 -2.385 12.949 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.631 -1.212 12.966 1.00 0.86 H new ATOM 1234 N THR A 84 12.290 -0.297 9.044 1.00 0.27 N ATOM 1235 CA THR A 84 11.220 0.596 8.638 1.00 0.26 C ATOM 1236 C THR A 84 10.020 -0.185 8.111 1.00 0.22 C ATOM 1237 O THR A 84 10.164 -1.296 7.588 1.00 0.21 O ATOM 1238 CB THR A 84 11.703 1.596 7.564 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.655 2.520 7.237 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.156 0.872 6.303 1.00 0.30 C ATOM 0 H THR A 84 12.530 -1.006 8.350 1.00 0.27 H new ATOM 0 HA THR A 84 10.914 1.154 9.523 1.00 0.26 H new ATOM 0 HB THR A 84 12.553 2.141 7.975 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.184 2.783 8.055 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.490 1.601 5.565 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.978 0.198 6.546 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.324 0.298 5.895 1.00 0.30 H new ATOM 1248 N LYS A 85 8.841 0.388 8.292 1.00 0.24 N ATOM 1249 CA LYS A 85 7.607 -0.226 7.833 1.00 0.23 C ATOM 1250 C LYS A 85 7.039 0.529 6.642 1.00 0.23 C ATOM 1251 O LYS A 85 6.702 1.709 6.747 1.00 0.26 O ATOM 1252 CB LYS A 85 6.573 -0.239 8.953 1.00 0.28 C ATOM 1253 CG LYS A 85 6.878 -1.208 10.078 1.00 0.37 C ATOM 1254 CD LYS A 85 5.952 -0.944 11.247 1.00 0.50 C ATOM 1255 CE LYS A 85 6.089 -1.970 12.358 1.00 0.78 C ATOM 1256 NZ LYS A 85 5.124 -1.706 13.460 1.00 1.63 N ATOM 0 H LYS A 85 8.713 1.286 8.758 1.00 0.24 H new ATOM 0 HA LYS A 85 7.834 -1.249 7.533 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.492 0.766 9.368 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.600 -0.488 8.529 1.00 0.28 H new ATOM 0 HG2 LYS A 85 6.756 -2.234 9.730 1.00 0.37 H new ATOM 0 HG3 LYS A 85 7.916 -1.099 10.393 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.158 0.048 11.649 1.00 0.50 H new ATOM 0 HD3 LYS A 85 4.921 -0.937 10.892 1.00 0.50 H new ATOM 0 HE2 LYS A 85 5.921 -2.969 11.956 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.106 -1.951 12.750 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 5.242 -2.423 14.204 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 5.302 -0.762 13.858 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 4.153 -1.748 13.089 1.00 1.63 H new ATOM 1270 N LEU A 86 6.932 -0.156 5.519 1.00 0.22 N ATOM 1271 CA LEU A 86 6.339 0.416 4.323 1.00 0.22 C ATOM 1272 C LEU A 86 4.995 -0.244 4.046 1.00 0.22 C ATOM 1273 O LEU A 86 4.883 -1.465 4.059 1.00 0.27 O ATOM 1274 CB LEU A 86 7.272 0.232 3.120 1.00 0.24 C ATOM 1275 CG LEU A 86 8.665 0.850 3.271 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.483 0.633 2.012 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.565 2.333 3.586 1.00 0.28 C ATOM 0 H LEU A 86 7.251 -1.119 5.409 1.00 0.22 H new ATOM 0 HA LEU A 86 6.188 1.483 4.484 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.385 -0.835 2.929 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.794 0.665 2.241 1.00 0.24 H new ATOM 0 HG LEU A 86 9.168 0.355 4.102 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.470 1.079 2.138 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.589 -0.436 1.827 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.979 1.100 1.166 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.566 2.751 3.689 1.00 0.28 H new ATOM 0 HD22 LEU A 86 8.040 2.842 2.777 1.00 0.28 H new ATOM 0 HD23 LEU A 86 8.017 2.471 4.518 1.00 0.28 H new ATOM 1289 N LEU A 87 3.980 0.559 3.804 1.00 0.20 N ATOM 1290 CA LEU A 87 2.659 0.037 3.503 1.00 0.21 C ATOM 1291 C LEU A 87 2.386 0.169 2.016 1.00 0.21 C ATOM 1292 O LEU A 87 2.394 1.275 1.483 1.00 0.26 O ATOM 1293 CB LEU A 87 1.592 0.801 4.289 1.00 0.27 C ATOM 1294 CG LEU A 87 0.156 0.339 4.046 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.085 -1.013 4.689 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.832 1.368 4.568 1.00 0.45 C ATOM 0 H LEU A 87 4.042 1.577 3.809 1.00 0.20 H new ATOM 0 HA LEU A 87 2.623 -1.014 3.790 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.812 0.711 5.353 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.665 1.859 4.037 1.00 0.27 H new ATOM 0 HG LEU A 87 0.005 0.237 2.971 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.113 -1.325 4.505 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.599 -1.746 4.262 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.086 -0.941 5.763 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.849 1.021 4.386 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.682 1.506 5.639 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.675 2.317 4.055 1.00 0.45 H new ATOM 1308 N VAL A 88 2.156 -0.950 1.348 1.00 0.20 N ATOM 1309 CA VAL A 88 1.944 -0.932 -0.089 1.00 0.23 C ATOM 1310 C VAL A 88 0.645 -1.636 -0.475 1.00 0.24 C ATOM 1311 O VAL A 88 0.156 -2.509 0.242 1.00 0.27 O ATOM 1312 CB VAL A 88 3.129 -1.577 -0.842 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.404 -0.774 -0.633 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.330 -3.023 -0.410 1.00 0.33 C ATOM 0 H VAL A 88 2.112 -1.875 1.775 1.00 0.20 H new ATOM 0 HA VAL A 88 1.871 0.115 -0.382 1.00 0.23 H new ATOM 0 HB VAL A 88 2.891 -1.572 -1.906 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.225 -1.247 -1.172 1.00 0.31 H new ATOM 0 HG12 VAL A 88 4.261 0.240 -1.007 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.641 -0.739 0.430 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.170 -3.452 -0.956 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.536 -3.058 0.660 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.428 -3.596 -0.624 1.00 0.33 H new ATOM 1324 N VAL A 89 0.083 -1.229 -1.603 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.149 -1.822 -2.112 1.00 0.27 C ATOM 1326 C VAL A 89 -0.964 -2.265 -3.557 1.00 0.34 C ATOM 1327 O VAL A 89 -0.412 -1.522 -4.373 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.349 -0.842 -2.028 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.742 -0.594 -0.581 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.038 0.478 -2.724 1.00 0.30 C ATOM 0 H VAL A 89 0.462 -0.485 -2.189 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.371 -2.684 -1.482 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.189 -1.307 -2.544 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.585 0.096 -0.546 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.025 -1.537 -0.114 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -1.898 -0.162 -0.043 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.899 1.142 -2.647 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.176 0.946 -2.249 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.816 0.292 -3.775 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.414 -3.476 -3.866 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.292 -4.005 -5.219 1.00 0.51 C ATOM 1342 C ASP A 90 -2.410 -3.453 -6.088 1.00 0.48 C ATOM 1343 O ASP A 90 -3.332 -2.815 -5.579 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.318 -5.544 -5.226 1.00 0.68 C ATOM 1345 CG ASP A 90 -2.687 -6.128 -5.532 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -3.513 -6.231 -4.598 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -2.940 -6.486 -6.701 1.00 1.86 O ATOM 0 H ASP A 90 -1.864 -4.106 -3.202 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.330 -3.690 -5.624 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -0.604 -5.908 -5.965 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -0.985 -5.909 -4.254 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.330 -3.706 -7.388 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.295 -3.171 -8.343 1.00 0.61 C ATOM 1354 C ARG A 91 -4.735 -3.485 -7.926 1.00 0.55 C ATOM 1355 O ARG A 91 -5.584 -2.596 -7.898 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.035 -3.753 -9.732 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.812 -3.058 -10.838 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.817 -3.881 -12.113 1.00 1.44 C ATOM 1359 NE ARG A 91 -2.470 -4.266 -12.535 1.00 2.25 N ATOM 1360 CZ ARG A 91 -2.069 -5.529 -12.670 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -2.893 -6.525 -12.359 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -0.842 -5.791 -13.102 1.00 4.16 N ATOM 0 H ARG A 91 -1.601 -4.283 -7.809 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.171 -2.088 -8.363 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.969 -3.686 -9.951 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.294 -4.812 -9.727 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.837 -2.885 -10.511 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.371 -2.081 -11.036 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -4.417 -4.778 -11.961 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -4.295 -3.310 -12.909 1.00 1.44 H new ATOM 0 HE ARG A 91 -1.799 -3.525 -12.737 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -3.832 -6.322 -12.017 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -2.586 -7.492 -12.462 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -0.207 -5.026 -13.330 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -0.533 -6.758 -13.206 1.00 4.16 H new ATOM 1376 N GLU A 92 -4.994 -4.741 -7.572 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.350 -5.185 -7.276 1.00 0.61 C ATOM 1378 C GLU A 92 -6.852 -4.553 -5.979 1.00 0.51 C ATOM 1379 O GLU A 92 -7.999 -4.109 -5.893 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.390 -6.714 -7.168 1.00 0.74 C ATOM 1381 CG GLU A 92 -7.782 -7.304 -7.298 1.00 1.44 C ATOM 1382 CD GLU A 92 -8.419 -7.005 -8.636 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -7.931 -7.518 -9.661 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -9.404 -6.237 -8.671 1.00 2.68 O ATOM 0 H GLU A 92 -4.283 -5.467 -7.484 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.004 -4.869 -8.089 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -5.752 -7.140 -7.942 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -5.968 -7.012 -6.208 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -7.729 -8.384 -7.158 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.415 -6.910 -6.503 1.00 1.44 H new ATOM 1391 N THR A 93 -5.977 -4.511 -4.981 1.00 0.44 N ATOM 1392 CA THR A 93 -6.295 -3.904 -3.697 1.00 0.38 C ATOM 1393 C THR A 93 -6.533 -2.402 -3.843 1.00 0.33 C ATOM 1394 O THR A 93 -7.509 -1.862 -3.320 1.00 0.37 O ATOM 1395 CB THR A 93 -5.148 -4.131 -2.694 1.00 0.36 C ATOM 1396 OG1 THR A 93 -4.904 -5.533 -2.536 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.456 -3.510 -1.343 1.00 0.36 C ATOM 0 H THR A 93 -5.034 -4.894 -5.039 1.00 0.44 H new ATOM 0 HA THR A 93 -7.206 -4.376 -3.328 1.00 0.38 H new ATOM 0 HB THR A 93 -4.257 -3.646 -3.094 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.377 -5.861 -3.295 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.625 -3.690 -0.662 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.602 -2.436 -1.461 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.363 -3.957 -0.935 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.639 -1.735 -4.565 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.716 -0.290 -4.727 1.00 0.39 C ATOM 1407 C ASP A 94 -6.993 0.109 -5.442 1.00 0.43 C ATOM 1408 O ASP A 94 -7.707 0.999 -4.991 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.506 0.242 -5.488 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.537 1.748 -5.624 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.531 2.448 -4.589 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -4.581 2.243 -6.768 1.00 1.18 O ATOM 0 H ASP A 94 -4.854 -2.173 -5.047 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.721 0.151 -3.730 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.594 -0.056 -4.972 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.474 -0.211 -6.479 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.297 -0.574 -6.538 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.514 -0.301 -7.290 1.00 0.49 C ATOM 1419 C GLU A 95 -9.742 -0.518 -6.414 1.00 0.45 C ATOM 1420 O GLU A 95 -10.736 0.192 -6.543 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.588 -1.190 -8.529 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.528 -0.870 -9.567 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.720 0.492 -10.200 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.275 1.493 -9.601 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -8.336 0.577 -11.283 1.00 1.23 O ATOM 0 H GLU A 95 -6.719 -1.320 -6.925 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.493 0.741 -7.609 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.486 -2.232 -8.226 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.573 -1.086 -8.983 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.544 -0.913 -9.100 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.546 -1.633 -10.345 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.650 -1.487 -5.507 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.722 -1.744 -4.554 1.00 0.41 C ATOM 1434 C PHE A 96 -10.924 -0.540 -3.640 1.00 0.36 C ATOM 1435 O PHE A 96 -12.048 -0.075 -3.449 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.410 -2.996 -3.725 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.405 -3.266 -2.628 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.635 -3.834 -2.917 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.108 -2.955 -1.312 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.551 -4.086 -1.915 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.020 -3.205 -0.303 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.240 -3.754 -0.599 1.00 0.72 C ATOM 0 H PHE A 96 -8.844 -2.106 -5.413 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.644 -1.915 -5.109 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.373 -3.859 -4.389 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.419 -2.890 -3.285 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.881 -4.083 -3.939 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.153 -2.512 -1.071 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.503 -4.538 -2.151 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.770 -2.967 0.720 1.00 0.62 H new ATOM 0 HZ PHE A 96 -13.959 -3.929 0.187 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.833 -0.027 -3.088 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.898 1.158 -2.240 1.00 0.32 C ATOM 1454 C PHE A 97 -10.317 2.393 -3.036 1.00 0.39 C ATOM 1455 O PHE A 97 -11.069 3.238 -2.543 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.564 1.398 -1.532 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.291 0.413 -0.431 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -9.184 0.246 0.612 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.138 -0.353 -0.448 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.931 -0.665 1.617 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -6.880 -1.267 0.553 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.794 -1.390 1.622 1.00 0.35 C ATOM 0 H PHE A 97 -8.896 -0.410 -3.211 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.660 0.977 -1.482 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.758 1.347 -2.264 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.556 2.406 -1.118 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -10.089 0.835 0.640 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -6.431 -0.234 -1.256 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -9.652 -0.799 2.409 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -5.991 -1.880 0.519 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.583 -2.062 2.441 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.828 2.491 -4.266 1.00 0.43 N ATOM 1473 CA LYS A 98 -10.145 3.614 -5.143 1.00 0.53 C ATOM 1474 C LYS A 98 -11.638 3.687 -5.445 1.00 0.56 C ATOM 1475 O LYS A 98 -12.250 4.746 -5.315 1.00 0.61 O ATOM 1476 CB LYS A 98 -9.359 3.506 -6.449 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.880 3.819 -6.293 1.00 0.85 C ATOM 1478 CD LYS A 98 -7.650 5.283 -5.947 1.00 1.13 C ATOM 1479 CE LYS A 98 -8.062 6.199 -7.090 1.00 1.31 C ATOM 1480 NZ LYS A 98 -7.929 7.634 -6.732 1.00 1.92 N ATOM 0 H LYS A 98 -9.204 1.800 -4.683 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.860 4.528 -4.622 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.469 2.498 -6.848 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.791 4.187 -7.182 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.455 3.189 -5.512 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.357 3.577 -7.218 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -8.217 5.539 -5.052 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -6.597 5.442 -5.714 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -7.447 5.986 -7.964 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -9.095 5.989 -7.368 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -8.220 8.222 -7.539 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -8.535 7.845 -5.914 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -6.939 7.842 -6.492 1.00 1.92 H new ATOM 1494 N LYS A 99 -12.227 2.562 -5.827 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.648 2.523 -6.167 1.00 0.63 C ATOM 1496 C LYS A 99 -14.522 2.688 -4.929 1.00 0.63 C ATOM 1497 O LYS A 99 -15.718 2.956 -5.034 1.00 0.75 O ATOM 1498 CB LYS A 99 -14.003 1.220 -6.884 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.704 -0.035 -6.087 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.204 -1.266 -6.814 1.00 0.76 C ATOM 1501 CE LYS A 99 -13.899 -2.538 -6.046 1.00 1.62 C ATOM 1502 NZ LYS A 99 -14.277 -3.747 -6.821 1.00 2.04 N ATOM 0 H LYS A 99 -11.747 1.666 -5.910 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.842 3.359 -6.838 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -15.064 1.234 -7.133 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.456 1.177 -7.826 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.630 -0.117 -5.919 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.176 0.030 -5.107 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -15.280 -1.184 -6.969 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.743 -1.318 -7.800 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -12.836 -2.575 -5.809 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -14.437 -2.530 -5.098 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -14.055 -4.598 -6.266 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.296 -3.723 -7.026 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -13.745 -3.767 -7.714 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.926 2.518 -3.760 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.645 2.706 -2.509 1.00 0.60 C ATOM 1518 C CYS A 100 -14.463 4.137 -2.006 1.00 0.61 C ATOM 1519 O CYS A 100 -15.107 4.559 -1.045 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.155 1.701 -1.459 1.00 0.60 C ATOM 1521 SG CYS A 100 -15.057 1.757 0.108 1.00 1.39 S ATOM 0 H CYS A 100 -12.948 2.251 -3.650 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.707 2.533 -2.684 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -14.232 0.695 -1.873 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.099 1.885 -1.263 1.00 0.60 H new ATOM 0 HG CYS A 100 -15.516 2.958 0.302 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.577 4.874 -2.687 1.00 0.59 N ATOM 1528 CA ARG A 101 -13.244 6.256 -2.333 1.00 0.65 C ATOM 1529 C ARG A 101 -12.688 6.344 -0.914 1.00 0.64 C ATOM 1530 O ARG A 101 -12.822 7.364 -0.241 1.00 0.75 O ATOM 1531 CB ARG A 101 -14.455 7.191 -2.496 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.757 7.576 -3.943 1.00 0.79 C ATOM 1533 CD ARG A 101 -15.330 6.415 -4.741 1.00 1.19 C ATOM 1534 NE ARG A 101 -15.549 6.764 -6.146 1.00 2.14 N ATOM 1535 CZ ARG A 101 -16.578 6.329 -6.873 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -17.491 5.531 -6.332 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -16.693 6.694 -8.143 1.00 4.09 N ATOM 0 H ARG A 101 -13.070 4.526 -3.501 1.00 0.59 H new ATOM 0 HA ARG A 101 -12.470 6.587 -3.026 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -15.334 6.707 -2.069 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -14.279 8.099 -1.919 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -15.463 8.406 -3.956 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.843 7.927 -4.422 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -14.650 5.565 -4.681 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -16.274 6.101 -4.295 1.00 1.19 H new ATOM 0 HE ARG A 101 -14.871 7.379 -6.597 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -17.407 5.248 -5.356 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -18.277 5.201 -6.893 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -15.994 7.307 -8.563 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -17.480 6.361 -8.700 1.00 4.09 H new ATOM 1551 N VAL A 102 -12.041 5.271 -0.480 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.476 5.208 0.857 1.00 0.57 C ATOM 1553 C VAL A 102 -9.954 5.102 0.774 1.00 0.49 C ATOM 1554 O VAL A 102 -9.410 4.613 -0.219 1.00 0.46 O ATOM 1555 CB VAL A 102 -12.055 4.008 1.644 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.624 2.689 1.025 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.665 4.066 3.117 1.00 1.42 C ATOM 0 H VAL A 102 -11.895 4.430 -1.039 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.742 6.122 1.388 1.00 0.57 H new ATOM 0 HB VAL A 102 -13.141 4.073 1.585 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.045 1.863 1.598 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -11.981 2.636 -0.004 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.536 2.620 1.036 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -12.088 3.208 3.640 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.579 4.046 3.207 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -12.048 4.986 3.559 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.272 5.587 1.801 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.817 5.566 1.836 1.00 0.50 C ATOM 1569 C ILE A 103 -7.303 4.269 2.462 1.00 0.43 C ATOM 1570 O ILE A 103 -7.779 3.844 3.516 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.268 6.774 2.631 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.758 8.082 2.008 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.748 6.746 2.683 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.313 9.315 2.762 1.00 1.33 C ATOM 0 H ILE A 103 -9.706 6.002 2.626 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.464 5.626 0.807 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.641 6.710 3.653 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -7.397 8.144 0.982 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -8.847 8.067 1.962 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.387 7.606 3.247 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.417 5.828 3.169 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.349 6.784 1.670 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.697 10.205 2.263 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -7.697 9.276 3.781 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -6.224 9.354 2.786 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.346 3.605 1.796 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.702 2.411 2.335 1.00 0.37 C ATOM 1588 C PRO A 104 -4.763 2.761 3.486 1.00 0.37 C ATOM 1589 O PRO A 104 -3.996 3.717 3.400 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.925 1.852 1.145 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.678 3.021 0.254 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.825 3.972 0.467 1.00 0.44 C ATOM 0 HA PRO A 104 -6.416 1.698 2.747 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.988 1.397 1.466 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.496 1.079 0.631 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.728 3.499 0.495 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.622 2.709 -0.789 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.494 5.010 0.440 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.586 3.860 -0.305 1.00 0.44 H new ATOM 1600 N SER A 105 -4.824 1.989 4.561 1.00 0.32 N ATOM 1601 CA SER A 105 -4.043 2.291 5.748 1.00 0.34 C ATOM 1602 C SER A 105 -3.866 1.037 6.598 1.00 0.34 C ATOM 1603 O SER A 105 -4.461 -0.003 6.294 1.00 0.33 O ATOM 1604 CB SER A 105 -4.729 3.405 6.548 1.00 0.43 C ATOM 1605 OG SER A 105 -3.934 3.854 7.634 1.00 1.42 O ATOM 0 H SER A 105 -5.404 1.153 4.635 1.00 0.32 H new ATOM 0 HA SER A 105 -3.053 2.637 5.450 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.945 4.244 5.887 1.00 0.43 H new ATOM 0 HB3 SER A 105 -5.685 3.043 6.926 1.00 0.43 H new ATOM 0 HG SER A 105 -3.000 3.600 7.482 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.065 1.138 7.654 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.795 0.009 8.545 1.00 0.43 C ATOM 1613 C GLN A 106 -4.083 -0.580 9.113 1.00 0.45 C ATOM 1614 O GLN A 106 -4.162 -1.777 9.385 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.881 0.428 9.698 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.517 0.933 9.259 1.00 0.68 C ATOM 1617 CD GLN A 106 0.403 1.169 10.439 1.00 0.96 C ATOM 1618 OE1 GLN A 106 1.155 0.281 10.841 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.338 2.360 11.012 1.00 1.42 N ATOM 0 H GLN A 106 -2.586 1.999 7.918 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.296 -0.754 7.947 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.377 1.209 10.275 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.744 -0.423 10.366 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -0.062 0.209 8.583 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.636 1.861 8.700 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -0.299 3.068 10.647 1.00 1.42 H new ATOM 0 HE22 GLN A 106 0.925 2.570 11.819 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.091 0.262 9.283 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.368 -0.165 9.843 1.00 0.51 C ATOM 1630 C GLU A 107 -7.005 -1.258 8.981 1.00 0.42 C ATOM 1631 O GLU A 107 -7.732 -2.115 9.472 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.318 1.026 9.961 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.661 2.290 10.501 1.00 1.41 C ATOM 1634 CD GLU A 107 -5.919 2.064 11.802 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -6.581 1.877 12.845 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -4.670 2.054 11.786 1.00 2.82 O ATOM 0 H GLU A 107 -5.050 1.252 9.040 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.183 -0.574 10.836 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.741 1.239 8.979 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -8.148 0.753 10.613 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -5.966 2.678 9.756 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -7.425 3.053 10.653 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.714 -1.219 7.689 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.268 -2.174 6.742 1.00 0.37 C ATOM 1645 C HIS A 108 -6.428 -3.446 6.672 1.00 0.46 C ATOM 1646 O HIS A 108 -6.860 -4.439 6.092 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.387 -1.544 5.355 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.469 -0.515 5.259 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.225 0.835 5.126 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.815 -0.649 5.261 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.371 1.481 5.047 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.356 0.605 5.128 1.00 0.52 N ATOM 0 H HIS A 108 -6.091 -0.529 7.270 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.262 -2.448 7.094 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.435 -1.085 5.090 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.577 -2.329 4.623 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.364 -1.575 5.351 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.486 2.549 4.935 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.352 0.824 5.097 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.218 -3.393 7.229 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.309 -4.542 7.224 1.00 0.70 C ATOM 1663 C LEU A 109 -4.955 -5.763 7.866 1.00 0.79 C ATOM 1664 O LEU A 109 -5.334 -6.709 7.181 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.014 -4.213 7.972 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.082 -3.224 7.279 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -0.941 -2.835 8.206 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.535 -3.835 6.004 1.00 0.67 C ATOM 0 H LEU A 109 -4.843 -2.565 7.691 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.082 -4.767 6.182 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.274 -3.813 8.952 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.468 -5.141 8.141 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.646 -2.326 7.028 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.284 -2.129 7.698 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.345 -2.372 9.106 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.375 -3.725 8.479 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -0.870 -3.123 5.515 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -0.981 -4.742 6.244 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.360 -4.080 5.335 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.073 -5.733 9.184 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.675 -6.836 9.919 1.00 1.67 C ATOM 1682 C ASN A 110 -7.107 -6.492 10.294 1.00 1.44 C ATOM 1683 O ASN A 110 -7.708 -7.121 11.167 1.00 1.77 O ATOM 1684 CB ASN A 110 -4.864 -7.171 11.176 1.00 2.17 C ATOM 1685 CG ASN A 110 -3.471 -7.683 10.857 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -2.504 -6.920 10.820 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -3.357 -8.978 10.602 1.00 3.35 N ATOM 0 H ASN A 110 -4.760 -4.957 9.768 1.00 1.37 H new ATOM 0 HA ASN A 110 -5.675 -7.715 9.274 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -4.785 -6.281 11.800 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -5.398 -7.922 11.758 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -2.447 -9.373 10.366 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -4.179 -9.580 10.642 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.643 -5.485 9.626 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.009 -5.081 9.858 1.00 1.12 C ATOM 1696 C GLY A 111 -9.913 -5.493 8.716 1.00 0.87 C ATOM 1697 O GLY A 111 -9.467 -6.169 7.788 1.00 0.93 O ATOM 0 H GLY A 111 -7.150 -4.936 8.921 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.368 -5.526 10.786 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.053 -3.999 9.985 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.192 -5.100 8.752 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.155 -5.465 7.725 1.00 0.93 C ATOM 1703 C PRO A 112 -12.128 -4.510 6.534 1.00 0.89 C ATOM 1704 O PRO A 112 -11.840 -3.318 6.675 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.483 -5.363 8.470 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.276 -4.267 9.460 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.804 -4.263 9.802 1.00 1.10 C ATOM 0 HA PRO A 112 -11.957 -6.446 7.294 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.303 -5.133 7.789 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.733 -6.302 8.964 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -13.579 -3.307 9.043 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.880 -4.432 10.352 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.395 -3.253 9.796 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.624 -4.674 10.795 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.412 -5.043 5.356 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.504 -4.229 4.158 1.00 0.58 C ATOM 1717 C LEU A 113 -13.851 -3.522 4.109 1.00 0.69 C ATOM 1718 O LEU A 113 -14.894 -4.128 4.374 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.305 -5.084 2.906 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.915 -5.706 2.755 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.789 -6.400 1.410 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.828 -4.649 2.926 1.00 1.05 C ATOM 0 H LEU A 113 -12.583 -6.037 5.206 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.713 -3.479 4.187 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.045 -5.884 2.911 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.507 -4.468 2.029 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.784 -6.452 3.539 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.795 -6.837 1.318 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.540 -7.187 1.335 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -10.942 -5.675 0.611 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.848 -5.113 2.815 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.951 -3.875 2.168 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.907 -4.202 3.917 1.00 1.05 H new