USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1242 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 154 SER OG : rot 94:sc= 1.49 USER MOD Set 1.2: A 157 LYS NZ :NH3+ 168:sc= 1.53 (180deg=1.2) USER MOD Set 2.1: A 59 LYS NZ :NH3+ -162:sc= -1.83 (180deg=-2.67) USER MOD Set 2.2: A 62 TYR OH : rot 25:sc= 1.2 USER MOD Set 2.3: A 70 GLN : amide:sc= 2.11 K(o=2.9,f=0.058) USER MOD Set 2.4: A 98 HIS :FLIP no HD1:sc= 0.03 F(o=1.3,f=2.9) USER MOD Set 2.5: A 100 SER OG : rot -167:sc= 1.36 USER MOD Single : A 7 TYR OH : rot 141:sc= 0.405 USER MOD Single : A 9 THR OG1 : rot 69:sc= 1.08 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= 1.49 (180deg=-0.114) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -85:sc= 1.3 USER MOD Single : A 32 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.44) USER MOD Single : A 34 GLN : amide:sc= 0.928 K(o=0.93,f=-0.16) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.11) USER MOD Single : A 45 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 47 CYS SG : rot 180:sc= 0.625 USER MOD Single : A 51 CYS SG : rot 163:sc= -0.181 USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.123 USER MOD Single : A 54 THR OG1 : rot 36:sc= 1.26 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= 0.624 (180deg=0.328) USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= 1.03 (180deg=0.0747) USER MOD Single : A 74 GLN : amide:sc= -0.326 K(o=-0.33,f=-3!) USER MOD Single : A 79 SER OG : rot 161:sc= -0.773 USER MOD Single : A 93 TYR OH : rot 130:sc= 0.193 USER MOD Single : A 95 LYS NZ :NH3+ 157:sc= 1.66 (180deg=0.857) USER MOD Single : A 105 SER OG : rot -151:sc= 0.731 USER MOD Single : A 107 SER OG : rot -96:sc= 1.26 USER MOD Single : A 116 GLN : amide:sc= -0.0972 K(o=-0.097,f=-8.4!) USER MOD Single : A 117 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 171:sc= 0.873 (180deg=0.459) USER MOD Single : A 137 HIS : no HE2:sc= -0.354 K(o=-0.35,f=-2.7!) USER MOD Single : A 138 THR OG1 : rot 86:sc= 0.947 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ 176:sc= -0.716! (180deg=-0.96) USER MOD Single : A 153 TYR OH : rot 153:sc= 1.26 USER MOD Single : A 161 THR OG1 : rot -97:sc= 1 USER MOD Single : A 169 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 16.760 3.849 4.640 1.00 1.68 N ATOM 90 CA TYR A 7 17.214 2.861 3.652 1.00 1.73 C ATOM 91 C TYR A 7 16.101 2.503 2.639 1.00 1.49 C ATOM 92 O TYR A 7 16.156 1.486 1.949 1.00 1.62 O ATOM 93 CB TYR A 7 17.877 1.657 4.354 1.00 2.84 C ATOM 94 CG TYR A 7 17.024 0.716 5.199 1.00 1.98 C ATOM 95 CD1 TYR A 7 16.175 1.195 6.221 1.00 2.04 C ATOM 96 CD2 TYR A 7 17.164 -0.676 5.023 1.00 2.71 C ATOM 97 CE1 TYR A 7 15.462 0.300 7.040 1.00 2.51 C ATOM 98 CE2 TYR A 7 16.460 -1.578 5.845 1.00 2.51 C ATOM 99 CZ TYR A 7 15.620 -1.090 6.866 1.00 2.19 C ATOM 100 OH TYR A 7 14.950 -1.963 7.660 1.00 3.01 O ATOM 0 HA TYR A 7 17.996 3.304 3.035 1.00 1.73 H new ATOM 0 HB2 TYR A 7 18.361 1.056 3.584 1.00 2.84 H new ATOM 0 HB3 TYR A 7 18.666 2.048 4.996 1.00 2.84 H new ATOM 0 HD1 TYR A 7 16.072 2.259 6.375 1.00 2.04 H new ATOM 0 HD2 TYR A 7 17.817 -1.054 4.251 1.00 2.71 H new ATOM 0 HE1 TYR A 7 14.795 0.677 7.801 1.00 2.51 H new ATOM 0 HE2 TYR A 7 16.564 -2.642 5.693 1.00 2.51 H new ATOM 0 HH TYR A 7 14.653 -2.729 7.126 1.00 3.01 H new ATOM 110 N GLY A 8 15.092 3.383 2.538 1.00 1.11 N ATOM 111 CA GLY A 8 14.120 3.441 1.446 1.00 1.07 C ATOM 112 C GLY A 8 14.745 4.045 0.188 1.00 1.33 C ATOM 113 O GLY A 8 15.762 4.742 0.241 1.00 1.66 O ATOM 0 H GLY A 8 14.929 4.100 3.245 1.00 1.11 H new ATOM 0 HA2 GLY A 8 13.752 2.438 1.228 1.00 1.07 H new ATOM 0 HA3 GLY A 8 13.260 4.037 1.751 1.00 1.07 H new ATOM 117 N THR A 9 14.146 3.749 -0.967 1.00 1.19 N ATOM 118 CA THR A 9 14.737 4.021 -2.291 1.00 1.23 C ATOM 119 C THR A 9 14.332 5.410 -2.773 1.00 1.47 C ATOM 120 O THR A 9 13.342 5.565 -3.496 1.00 1.44 O ATOM 121 CB THR A 9 14.397 2.937 -3.333 1.00 1.30 C ATOM 122 OG1 THR A 9 13.924 1.752 -2.729 1.00 1.56 O ATOM 123 CG2 THR A 9 15.625 2.571 -4.165 1.00 1.30 C ATOM 0 H THR A 9 13.227 3.309 -1.017 1.00 1.19 H new ATOM 0 HA THR A 9 15.820 3.993 -2.176 1.00 1.23 H new ATOM 0 HB THR A 9 13.618 3.362 -3.965 1.00 1.30 H new ATOM 0 HG1 THR A 9 13.041 1.915 -2.336 1.00 1.56 H new ATOM 0 HG21 THR A 9 15.357 1.804 -4.892 1.00 1.30 H new ATOM 0 HG22 THR A 9 15.987 3.456 -4.688 1.00 1.30 H new ATOM 0 HG23 THR A 9 16.409 2.191 -3.509 1.00 1.30 H new ATOM 131 N ARG A 10 15.066 6.432 -2.321 1.00 1.30 N ATOM 132 CA ARG A 10 14.759 7.839 -2.615 1.00 1.35 C ATOM 133 C ARG A 10 15.039 8.190 -4.066 1.00 1.64 C ATOM 134 O ARG A 10 16.174 8.128 -4.535 1.00 1.94 O ATOM 135 CB ARG A 10 15.448 8.783 -1.632 1.00 1.41 C ATOM 136 CG ARG A 10 14.796 10.179 -1.612 1.00 1.73 C ATOM 137 CD ARG A 10 15.467 11.255 -2.475 1.00 2.36 C ATOM 138 NE ARG A 10 14.880 12.573 -2.152 1.00 2.60 N ATOM 139 CZ ARG A 10 14.487 13.544 -2.973 1.00 3.28 C ATOM 140 NH1 ARG A 10 14.586 13.466 -4.282 1.00 4.13 N ATOM 141 NH2 ARG A 10 13.943 14.634 -2.469 1.00 3.85 N ATOM 0 H ARG A 10 15.894 6.308 -1.738 1.00 1.30 H new ATOM 0 HA ARG A 10 13.687 7.976 -2.473 1.00 1.35 H new ATOM 0 HB2 ARG A 10 15.412 8.353 -0.631 1.00 1.41 H new ATOM 0 HB3 ARG A 10 16.500 8.879 -1.900 1.00 1.41 H new ATOM 0 HG2 ARG A 10 13.760 10.077 -1.936 1.00 1.73 H new ATOM 0 HG3 ARG A 10 14.774 10.532 -0.581 1.00 1.73 H new ATOM 0 HD2 ARG A 10 16.541 11.267 -2.292 1.00 2.36 H new ATOM 0 HD3 ARG A 10 15.326 11.030 -3.532 1.00 2.36 H new ATOM 0 HE ARG A 10 14.759 12.766 -1.158 1.00 2.60 H new ATOM 0 HH11 ARG A 10 14.980 12.631 -4.715 1.00 4.13 H new ATOM 0 HH12 ARG A 10 14.269 14.241 -4.865 1.00 4.13 H new ATOM 0 HH21 ARG A 10 13.827 14.726 -1.460 1.00 3.85 H new ATOM 0 HH22 ARG A 10 13.638 15.385 -3.088 1.00 3.85 H new ATOM 155 N LEU A 11 13.984 8.592 -4.769 1.00 1.28 N ATOM 156 CA LEU A 11 14.019 8.813 -6.222 1.00 1.30 C ATOM 157 C LEU A 11 14.520 10.217 -6.582 1.00 1.77 C ATOM 158 O LEU A 11 14.409 11.148 -5.786 1.00 2.31 O ATOM 159 CB LEU A 11 12.631 8.529 -6.829 1.00 1.13 C ATOM 160 CG LEU A 11 12.085 7.112 -6.541 1.00 1.16 C ATOM 161 CD1 LEU A 11 10.734 6.932 -7.239 1.00 1.11 C ATOM 162 CD2 LEU A 11 13.038 5.995 -6.991 1.00 1.38 C ATOM 0 H LEU A 11 13.073 8.776 -4.349 1.00 1.28 H new ATOM 0 HA LEU A 11 14.737 8.115 -6.654 1.00 1.30 H new ATOM 0 HB2 LEU A 11 11.923 9.263 -6.444 1.00 1.13 H new ATOM 0 HB3 LEU A 11 12.684 8.672 -7.908 1.00 1.13 H new ATOM 0 HG LEU A 11 11.979 7.029 -5.459 1.00 1.16 H new ATOM 0 HD11 LEU A 11 10.350 5.933 -7.035 1.00 1.11 H new ATOM 0 HD12 LEU A 11 10.029 7.675 -6.865 1.00 1.11 H new ATOM 0 HD13 LEU A 11 10.860 7.060 -8.314 1.00 1.11 H new ATOM 0 HD21 LEU A 11 12.597 5.025 -6.761 1.00 1.38 H new ATOM 0 HD22 LEU A 11 13.206 6.071 -8.065 1.00 1.38 H new ATOM 0 HD23 LEU A 11 13.989 6.095 -6.467 1.00 1.38 H new ATOM 174 N LEU A 12 15.064 10.372 -7.793 1.00 1.36 N ATOM 175 CA LEU A 12 15.416 11.667 -8.383 1.00 1.51 C ATOM 176 C LEU A 12 14.269 12.157 -9.279 1.00 1.74 C ATOM 177 O LEU A 12 13.624 13.150 -8.961 1.00 2.21 O ATOM 178 CB LEU A 12 16.771 11.519 -9.117 1.00 1.74 C ATOM 179 CG LEU A 12 17.664 12.775 -9.117 1.00 2.84 C ATOM 180 CD1 LEU A 12 16.967 13.995 -9.735 1.00 4.67 C ATOM 181 CD2 LEU A 12 18.154 13.097 -7.698 1.00 3.39 C ATOM 0 H LEU A 12 15.277 9.583 -8.404 1.00 1.36 H new ATOM 0 HA LEU A 12 15.546 12.435 -7.621 1.00 1.51 H new ATOM 0 HB2 LEU A 12 17.325 10.700 -8.659 1.00 1.74 H new ATOM 0 HB3 LEU A 12 16.576 11.233 -10.150 1.00 1.74 H new ATOM 0 HG LEU A 12 18.525 12.547 -9.745 1.00 2.84 H new ATOM 0 HD11 LEU A 12 17.641 14.851 -9.709 1.00 4.67 H new ATOM 0 HD12 LEU A 12 16.698 13.776 -10.768 1.00 4.67 H new ATOM 0 HD13 LEU A 12 16.066 14.226 -9.167 1.00 4.67 H new ATOM 0 HD21 LEU A 12 18.782 13.987 -7.723 1.00 3.39 H new ATOM 0 HD22 LEU A 12 17.297 13.276 -7.049 1.00 3.39 H new ATOM 0 HD23 LEU A 12 18.731 12.256 -7.313 1.00 3.39 H new ATOM 193 N ASN A 13 13.969 11.411 -10.344 1.00 1.39 N ATOM 194 CA ASN A 13 12.844 11.652 -11.246 1.00 1.45 C ATOM 195 C ASN A 13 11.604 10.857 -10.772 1.00 1.35 C ATOM 196 O ASN A 13 11.583 9.635 -10.953 1.00 1.48 O ATOM 197 CB ASN A 13 13.247 11.223 -12.672 1.00 1.71 C ATOM 198 CG ASN A 13 14.407 12.037 -13.237 1.00 2.66 C ATOM 199 OD1 ASN A 13 15.552 11.883 -12.839 1.00 4.00 O ATOM 200 ND2 ASN A 13 14.151 12.915 -14.191 1.00 3.27 N ATOM 0 H ASN A 13 14.521 10.596 -10.610 1.00 1.39 H new ATOM 0 HA ASN A 13 12.590 12.712 -11.245 1.00 1.45 H new ATOM 0 HB2 ASN A 13 13.521 10.168 -12.664 1.00 1.71 H new ATOM 0 HB3 ASN A 13 12.385 11.323 -13.332 1.00 1.71 H new ATOM 0 HD21 ASN A 13 14.909 13.464 -14.595 1.00 3.27 H new ATOM 0 HD22 ASN A 13 13.195 13.043 -14.523 1.00 3.27 H new ATOM 207 N PRO A 14 10.571 11.488 -10.179 1.00 1.22 N ATOM 208 CA PRO A 14 9.381 10.781 -9.713 1.00 1.22 C ATOM 209 C PRO A 14 8.469 10.428 -10.885 1.00 1.52 C ATOM 210 O PRO A 14 7.941 11.291 -11.590 1.00 1.65 O ATOM 211 CB PRO A 14 8.714 11.724 -8.705 1.00 1.39 C ATOM 212 CG PRO A 14 9.093 13.110 -9.223 1.00 1.56 C ATOM 213 CD PRO A 14 10.497 12.893 -9.789 1.00 1.45 C ATOM 0 HA PRO A 14 9.620 9.828 -9.241 1.00 1.22 H new ATOM 0 HB2 PRO A 14 7.633 11.586 -8.678 1.00 1.39 H new ATOM 0 HB3 PRO A 14 9.082 11.558 -7.693 1.00 1.39 H new ATOM 0 HG2 PRO A 14 8.399 13.459 -9.988 1.00 1.56 H new ATOM 0 HG3 PRO A 14 9.089 13.854 -8.426 1.00 1.56 H new ATOM 0 HD2 PRO A 14 10.676 13.544 -10.645 1.00 1.45 H new ATOM 0 HD3 PRO A 14 11.257 13.130 -9.044 1.00 1.45 H new ATOM 221 N LYS A 15 8.277 9.126 -11.095 1.00 1.34 N ATOM 222 CA LYS A 15 7.449 8.615 -12.182 1.00 1.57 C ATOM 223 C LYS A 15 5.960 8.905 -11.910 1.00 1.62 C ATOM 224 O LYS A 15 5.474 8.549 -10.832 1.00 1.51 O ATOM 225 CB LYS A 15 7.702 7.114 -12.335 1.00 1.62 C ATOM 226 CG LYS A 15 7.084 6.539 -13.624 1.00 1.89 C ATOM 227 CD LYS A 15 7.077 5.003 -13.674 1.00 2.44 C ATOM 228 CE LYS A 15 5.931 4.353 -12.880 1.00 2.38 C ATOM 229 NZ LYS A 15 4.596 4.631 -13.471 1.00 2.75 N ATOM 0 H LYS A 15 8.692 8.397 -10.515 1.00 1.34 H new ATOM 0 HA LYS A 15 7.713 9.117 -13.113 1.00 1.57 H new ATOM 0 HB2 LYS A 15 8.776 6.928 -12.337 1.00 1.62 H new ATOM 0 HB3 LYS A 15 7.289 6.590 -11.473 1.00 1.62 H new ATOM 0 HG2 LYS A 15 6.060 6.901 -13.719 1.00 1.89 H new ATOM 0 HG3 LYS A 15 7.637 6.919 -14.483 1.00 1.89 H new ATOM 0 HD2 LYS A 15 7.010 4.685 -14.714 1.00 2.44 H new ATOM 0 HD3 LYS A 15 8.027 4.633 -13.288 1.00 2.44 H new ATOM 0 HE2 LYS A 15 6.088 3.275 -12.839 1.00 2.38 H new ATOM 0 HE3 LYS A 15 5.953 4.718 -11.853 1.00 2.38 H new ATOM 0 HZ1 LYS A 15 3.950 3.845 -13.255 1.00 2.75 H new ATOM 0 HZ2 LYS A 15 4.216 5.512 -13.070 1.00 2.75 H new ATOM 0 HZ3 LYS A 15 4.687 4.730 -14.502 1.00 2.75 H new ATOM 243 N PRO A 16 5.212 9.481 -12.863 1.00 1.79 N ATOM 244 CA PRO A 16 3.792 9.743 -12.684 1.00 1.82 C ATOM 245 C PRO A 16 3.036 8.414 -12.579 1.00 1.82 C ATOM 246 O PRO A 16 3.427 7.423 -13.204 1.00 1.87 O ATOM 247 CB PRO A 16 3.374 10.598 -13.881 1.00 2.20 C ATOM 248 CG PRO A 16 4.385 10.238 -14.971 1.00 2.30 C ATOM 249 CD PRO A 16 5.642 9.816 -14.209 1.00 2.12 C ATOM 0 HA PRO A 16 3.562 10.280 -11.764 1.00 1.82 H new ATOM 0 HB2 PRO A 16 2.354 10.374 -14.194 1.00 2.20 H new ATOM 0 HB3 PRO A 16 3.408 11.661 -13.642 1.00 2.20 H new ATOM 0 HG2 PRO A 16 4.015 9.431 -15.603 1.00 2.30 H new ATOM 0 HG3 PRO A 16 4.584 11.088 -15.623 1.00 2.30 H new ATOM 0 HD2 PRO A 16 6.118 8.961 -14.689 1.00 2.12 H new ATOM 0 HD3 PRO A 16 6.376 10.622 -14.193 1.00 2.12 H new ATOM 257 N VAL A 17 1.982 8.401 -11.757 1.00 1.44 N ATOM 258 CA VAL A 17 1.086 7.247 -11.563 1.00 1.26 C ATOM 259 C VAL A 17 -0.345 7.724 -11.293 1.00 1.46 C ATOM 260 O VAL A 17 -0.568 8.648 -10.513 1.00 1.49 O ATOM 261 CB VAL A 17 1.531 6.289 -10.423 1.00 1.06 C ATOM 262 CG1 VAL A 17 2.824 5.535 -10.775 1.00 1.15 C ATOM 263 CG2 VAL A 17 1.713 6.982 -9.061 1.00 1.01 C ATOM 0 H VAL A 17 1.718 9.209 -11.193 1.00 1.44 H new ATOM 0 HA VAL A 17 1.133 6.677 -12.491 1.00 1.26 H new ATOM 0 HB VAL A 17 0.706 5.583 -10.328 1.00 1.06 H new ATOM 0 HG11 VAL A 17 3.098 4.877 -9.950 1.00 1.15 H new ATOM 0 HG12 VAL A 17 2.665 4.941 -11.675 1.00 1.15 H new ATOM 0 HG13 VAL A 17 3.627 6.251 -10.950 1.00 1.15 H new ATOM 0 HG21 VAL A 17 2.024 6.248 -8.318 1.00 1.01 H new ATOM 0 HG22 VAL A 17 2.475 7.757 -9.146 1.00 1.01 H new ATOM 0 HG23 VAL A 17 0.769 7.433 -8.753 1.00 1.01 H new ATOM 273 N ASP A 18 -1.320 7.054 -11.905 1.00 1.26 N ATOM 274 CA ASP A 18 -2.742 7.205 -11.590 1.00 1.27 C ATOM 275 C ASP A 18 -3.437 5.832 -11.629 1.00 1.27 C ATOM 276 O ASP A 18 -2.871 4.876 -12.155 1.00 1.60 O ATOM 277 CB ASP A 18 -3.395 8.238 -12.524 1.00 1.66 C ATOM 278 CG ASP A 18 -4.830 8.619 -12.120 1.00 1.68 C ATOM 279 OD1 ASP A 18 -5.127 8.798 -10.911 1.00 1.69 O ATOM 280 OD2 ASP A 18 -5.678 8.769 -13.026 1.00 2.96 O ATOM 0 H ASP A 18 -1.142 6.378 -12.648 1.00 1.26 H new ATOM 0 HA ASP A 18 -2.856 7.591 -10.577 1.00 1.27 H new ATOM 0 HB2 ASP A 18 -2.781 9.138 -12.541 1.00 1.66 H new ATOM 0 HB3 ASP A 18 -3.406 7.841 -13.539 1.00 1.66 H new ATOM 285 N PHE A 19 -4.654 5.716 -11.083 1.00 1.04 N ATOM 286 CA PHE A 19 -5.484 4.507 -11.187 1.00 0.95 C ATOM 287 C PHE A 19 -6.964 4.788 -10.920 1.00 1.77 C ATOM 288 O PHE A 19 -7.339 5.859 -10.435 1.00 2.05 O ATOM 289 CB PHE A 19 -4.945 3.310 -10.339 1.00 1.01 C ATOM 290 CG PHE A 19 -4.976 3.326 -8.803 1.00 1.06 C ATOM 291 CD1 PHE A 19 -6.101 3.749 -8.057 1.00 1.84 C ATOM 292 CD2 PHE A 19 -3.856 2.839 -8.094 1.00 2.20 C ATOM 293 CE1 PHE A 19 -6.084 3.729 -6.652 1.00 1.76 C ATOM 294 CE2 PHE A 19 -3.853 2.791 -6.687 1.00 2.12 C ATOM 295 CZ PHE A 19 -4.965 3.242 -5.963 1.00 1.26 C ATOM 0 H PHE A 19 -5.096 6.466 -10.551 1.00 1.04 H new ATOM 0 HA PHE A 19 -5.408 4.190 -12.227 1.00 0.95 H new ATOM 0 HB2 PHE A 19 -5.497 2.425 -10.656 1.00 1.01 H new ATOM 0 HB3 PHE A 19 -3.906 3.159 -10.632 1.00 1.01 H new ATOM 0 HD1 PHE A 19 -6.985 4.092 -8.574 1.00 1.84 H new ATOM 0 HD2 PHE A 19 -2.988 2.498 -8.640 1.00 2.20 H new ATOM 0 HE1 PHE A 19 -6.939 4.091 -6.100 1.00 1.76 H new ATOM 0 HE2 PHE A 19 -2.991 2.405 -6.164 1.00 2.12 H new ATOM 0 HZ PHE A 19 -4.960 3.214 -4.883 1.00 1.26 H new ATOM 305 N ALA A 20 -7.790 3.762 -11.135 1.00 0.77 N ATOM 306 CA ALA A 20 -9.072 3.562 -10.472 1.00 0.61 C ATOM 307 C ALA A 20 -9.030 2.211 -9.735 1.00 0.82 C ATOM 308 O ALA A 20 -8.711 1.201 -10.357 1.00 0.87 O ATOM 309 CB ALA A 20 -10.173 3.581 -11.540 1.00 0.75 C ATOM 0 H ALA A 20 -7.572 3.022 -11.802 1.00 0.77 H new ATOM 0 HA ALA A 20 -9.277 4.348 -9.745 1.00 0.61 H new ATOM 0 HB1 ALA A 20 -11.143 3.433 -11.065 1.00 0.75 H new ATOM 0 HB2 ALA A 20 -10.164 4.542 -12.055 1.00 0.75 H new ATOM 0 HB3 ALA A 20 -9.995 2.782 -12.260 1.00 0.75 H new ATOM 315 N LEU A 21 -9.353 2.193 -8.440 1.00 0.75 N ATOM 316 CA LEU A 21 -9.637 0.980 -7.667 1.00 0.78 C ATOM 317 C LEU A 21 -11.056 1.030 -7.112 1.00 0.98 C ATOM 318 O LEU A 21 -11.638 2.106 -6.961 1.00 1.15 O ATOM 319 CB LEU A 21 -8.658 0.820 -6.486 1.00 0.83 C ATOM 320 CG LEU A 21 -7.798 -0.455 -6.486 1.00 0.95 C ATOM 321 CD1 LEU A 21 -8.609 -1.762 -6.528 1.00 1.11 C ATOM 322 CD2 LEU A 21 -6.780 -0.434 -7.627 1.00 1.33 C ATOM 0 H LEU A 21 -9.426 3.045 -7.884 1.00 0.75 H new ATOM 0 HA LEU A 21 -9.522 0.132 -8.342 1.00 0.78 H new ATOM 0 HB2 LEU A 21 -7.992 1.683 -6.474 1.00 0.83 H new ATOM 0 HB3 LEU A 21 -9.231 0.847 -5.559 1.00 0.83 H new ATOM 0 HG LEU A 21 -7.277 -0.447 -5.528 1.00 0.95 H new ATOM 0 HD11 LEU A 21 -7.928 -2.613 -6.525 1.00 1.11 H new ATOM 0 HD12 LEU A 21 -9.259 -1.815 -5.655 1.00 1.11 H new ATOM 0 HD13 LEU A 21 -9.215 -1.785 -7.434 1.00 1.11 H new ATOM 0 HD21 LEU A 21 -6.186 -1.348 -7.602 1.00 1.33 H new ATOM 0 HD22 LEU A 21 -7.304 -0.368 -8.581 1.00 1.33 H new ATOM 0 HD23 LEU A 21 -6.123 0.428 -7.513 1.00 1.33 H new ATOM 334 N GLU A 22 -11.548 -0.142 -6.736 1.00 0.72 N ATOM 335 CA GLU A 22 -12.820 -0.377 -6.078 1.00 0.68 C ATOM 336 C GLU A 22 -12.581 -0.587 -4.573 1.00 1.05 C ATOM 337 O GLU A 22 -11.551 -1.127 -4.160 1.00 1.31 O ATOM 338 CB GLU A 22 -13.449 -1.592 -6.763 1.00 0.85 C ATOM 339 CG GLU A 22 -14.850 -1.941 -6.259 1.00 1.47 C ATOM 340 CD GLU A 22 -15.641 -2.782 -7.269 1.00 2.18 C ATOM 341 OE1 GLU A 22 -15.023 -3.421 -8.159 1.00 2.78 O ATOM 342 OE2 GLU A 22 -16.880 -2.746 -7.166 1.00 3.28 O ATOM 0 H GLU A 22 -11.034 -1.009 -6.894 1.00 0.72 H new ATOM 0 HA GLU A 22 -13.503 0.468 -6.163 1.00 0.68 H new ATOM 0 HB2 GLU A 22 -13.497 -1.406 -7.836 1.00 0.85 H new ATOM 0 HB3 GLU A 22 -12.798 -2.454 -6.618 1.00 0.85 H new ATOM 0 HG2 GLU A 22 -14.770 -2.487 -5.319 1.00 1.47 H new ATOM 0 HG3 GLU A 22 -15.397 -1.022 -6.048 1.00 1.47 H new ATOM 349 N GLY A 23 -13.509 -0.101 -3.743 1.00 0.69 N ATOM 350 CA GLY A 23 -13.457 -0.176 -2.280 1.00 0.77 C ATOM 351 C GLY A 23 -14.839 -0.429 -1.666 1.00 0.87 C ATOM 352 O GLY A 23 -15.848 -0.214 -2.344 1.00 0.98 O ATOM 0 H GLY A 23 -14.346 0.372 -4.083 1.00 0.69 H new ATOM 0 HA2 GLY A 23 -12.777 -0.974 -1.982 1.00 0.77 H new ATOM 0 HA3 GLY A 23 -13.050 0.754 -1.884 1.00 0.77 H new ATOM 356 N PRO A 24 -14.919 -0.823 -0.380 1.00 0.88 N ATOM 357 CA PRO A 24 -16.171 -1.239 0.263 1.00 0.98 C ATOM 358 C PRO A 24 -17.140 -0.082 0.559 1.00 1.26 C ATOM 359 O PRO A 24 -18.329 -0.317 0.756 1.00 1.13 O ATOM 360 CB PRO A 24 -15.729 -1.942 1.550 1.00 1.08 C ATOM 361 CG PRO A 24 -14.418 -1.247 1.910 1.00 1.16 C ATOM 362 CD PRO A 24 -13.797 -0.965 0.543 1.00 0.96 C ATOM 0 HA PRO A 24 -16.744 -1.885 -0.403 1.00 0.98 H new ATOM 0 HB2 PRO A 24 -16.471 -1.832 2.341 1.00 1.08 H new ATOM 0 HB3 PRO A 24 -15.586 -3.011 1.393 1.00 1.08 H new ATOM 0 HG2 PRO A 24 -14.588 -0.330 2.474 1.00 1.16 H new ATOM 0 HG3 PRO A 24 -13.778 -1.883 2.522 1.00 1.16 H new ATOM 0 HD2 PRO A 24 -13.193 -0.058 0.567 1.00 0.96 H new ATOM 0 HD3 PRO A 24 -13.139 -1.778 0.237 1.00 0.96 H new ATOM 370 N GLN A 25 -16.661 1.166 0.581 1.00 1.78 N ATOM 371 CA GLN A 25 -17.511 2.360 0.704 1.00 1.94 C ATOM 372 C GLN A 25 -17.722 3.066 -0.652 1.00 1.91 C ATOM 373 O GLN A 25 -18.225 4.189 -0.682 1.00 2.19 O ATOM 374 CB GLN A 25 -16.908 3.312 1.752 1.00 2.09 C ATOM 375 CG GLN A 25 -16.874 2.679 3.155 1.00 3.30 C ATOM 376 CD GLN A 25 -16.489 3.681 4.243 1.00 3.71 C ATOM 377 OE1 GLN A 25 -15.442 3.599 4.863 1.00 4.48 O ATOM 378 NE2 GLN A 25 -17.322 4.661 4.528 1.00 3.92 N ATOM 0 H GLN A 25 -15.666 1.380 0.514 1.00 1.78 H new ATOM 0 HA GLN A 25 -18.500 2.046 1.038 1.00 1.94 H new ATOM 0 HB2 GLN A 25 -15.896 3.586 1.453 1.00 2.09 H new ATOM 0 HB3 GLN A 25 -17.491 4.232 1.784 1.00 2.09 H new ATOM 0 HG2 GLN A 25 -17.853 2.259 3.384 1.00 3.30 H new ATOM 0 HG3 GLN A 25 -16.163 1.853 3.160 1.00 3.30 H new ATOM 0 HE21 GLN A 25 -18.202 4.746 4.020 1.00 3.92 H new ATOM 0 HE22 GLN A 25 -17.086 5.335 5.257 1.00 3.92 H new ATOM 387 N GLY A 26 -17.320 2.431 -1.760 1.00 1.57 N ATOM 388 CA GLY A 26 -17.219 3.032 -3.089 1.00 1.58 C ATOM 389 C GLY A 26 -15.774 3.057 -3.624 1.00 1.66 C ATOM 390 O GLY A 26 -14.831 2.783 -2.873 1.00 1.80 O ATOM 0 H GLY A 26 -17.047 1.448 -1.752 1.00 1.57 H new ATOM 0 HA2 GLY A 26 -17.849 2.476 -3.783 1.00 1.58 H new ATOM 0 HA3 GLY A 26 -17.606 4.050 -3.053 1.00 1.58 H new ATOM 394 N PRO A 27 -15.592 3.349 -4.927 1.00 1.49 N ATOM 395 CA PRO A 27 -14.295 3.343 -5.599 1.00 1.60 C ATOM 396 C PRO A 27 -13.468 4.602 -5.309 1.00 1.61 C ATOM 397 O PRO A 27 -14.001 5.635 -4.906 1.00 1.52 O ATOM 398 CB PRO A 27 -14.624 3.228 -7.091 1.00 1.59 C ATOM 399 CG PRO A 27 -15.955 3.970 -7.201 1.00 1.44 C ATOM 400 CD PRO A 27 -16.654 3.604 -5.894 1.00 1.44 C ATOM 0 HA PRO A 27 -13.676 2.520 -5.242 1.00 1.60 H new ATOM 0 HB2 PRO A 27 -13.853 3.685 -7.712 1.00 1.59 H new ATOM 0 HB3 PRO A 27 -14.713 2.189 -7.407 1.00 1.59 H new ATOM 0 HG2 PRO A 27 -15.812 5.046 -7.296 1.00 1.44 H new ATOM 0 HG3 PRO A 27 -16.528 3.647 -8.070 1.00 1.44 H new ATOM 0 HD2 PRO A 27 -17.301 4.414 -5.558 1.00 1.44 H new ATOM 0 HD3 PRO A 27 -17.285 2.724 -6.022 1.00 1.44 H new ATOM 408 N VAL A 28 -12.161 4.523 -5.582 1.00 1.13 N ATOM 409 CA VAL A 28 -11.184 5.609 -5.419 1.00 1.08 C ATOM 410 C VAL A 28 -10.378 5.829 -6.702 1.00 1.14 C ATOM 411 O VAL A 28 -10.297 4.945 -7.557 1.00 1.12 O ATOM 412 CB VAL A 28 -10.196 5.318 -4.268 1.00 1.58 C ATOM 413 CG1 VAL A 28 -10.865 5.410 -2.891 1.00 1.36 C ATOM 414 CG2 VAL A 28 -9.456 3.981 -4.415 1.00 3.23 C ATOM 0 H VAL A 28 -11.736 3.666 -5.937 1.00 1.13 H new ATOM 0 HA VAL A 28 -11.758 6.506 -5.186 1.00 1.08 H new ATOM 0 HB VAL A 28 -9.445 6.105 -4.340 1.00 1.58 H new ATOM 0 HG11 VAL A 28 -10.130 5.197 -2.115 1.00 1.36 H new ATOM 0 HG12 VAL A 28 -11.265 6.414 -2.747 1.00 1.36 H new ATOM 0 HG13 VAL A 28 -11.676 4.684 -2.831 1.00 1.36 H new ATOM 0 HG21 VAL A 28 -8.780 3.845 -3.571 1.00 3.23 H new ATOM 0 HG22 VAL A 28 -10.179 3.165 -4.436 1.00 3.23 H new ATOM 0 HG23 VAL A 28 -8.883 3.982 -5.342 1.00 3.23 H new ATOM 424 N ARG A 29 -9.723 6.992 -6.801 1.00 0.93 N ATOM 425 CA ARG A 29 -8.712 7.272 -7.823 1.00 0.91 C ATOM 426 C ARG A 29 -7.408 7.722 -7.184 1.00 1.41 C ATOM 427 O ARG A 29 -7.417 8.606 -6.333 1.00 1.80 O ATOM 428 CB ARG A 29 -9.191 8.350 -8.800 1.00 0.88 C ATOM 429 CG ARG A 29 -10.194 7.768 -9.806 1.00 0.93 C ATOM 430 CD ARG A 29 -10.761 8.797 -10.796 1.00 1.44 C ATOM 431 NE ARG A 29 -9.750 9.710 -11.367 1.00 2.42 N ATOM 432 CZ ARG A 29 -8.654 9.397 -12.053 1.00 3.36 C ATOM 433 NH1 ARG A 29 -8.288 8.169 -12.340 1.00 3.76 N ATOM 434 NH2 ARG A 29 -7.844 10.345 -12.460 1.00 4.77 N ATOM 0 H ARG A 29 -9.883 7.773 -6.165 1.00 0.93 H new ATOM 0 HA ARG A 29 -8.546 6.346 -8.373 1.00 0.91 H new ATOM 0 HB2 ARG A 29 -9.656 9.167 -8.248 1.00 0.88 H new ATOM 0 HB3 ARG A 29 -8.337 8.770 -9.332 1.00 0.88 H new ATOM 0 HG2 ARG A 29 -9.707 6.970 -10.367 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -11.020 7.314 -9.258 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -11.256 8.267 -11.610 1.00 1.44 H new ATOM 0 HD3 ARG A 29 -11.524 9.389 -10.290 1.00 1.44 H new ATOM 0 HE ARG A 29 -9.913 10.706 -11.216 1.00 2.42 H new ATOM 0 HH11 ARG A 29 -8.859 7.382 -12.032 1.00 3.76 H new ATOM 0 HH12 ARG A 29 -7.433 8.003 -12.871 1.00 3.76 H new ATOM 0 HH21 ARG A 29 -8.055 11.321 -12.250 1.00 4.77 H new ATOM 0 HH22 ARG A 29 -7.003 10.106 -12.986 1.00 4.77 H new ATOM 448 N LEU A 30 -6.291 7.164 -7.656 1.00 1.04 N ATOM 449 CA LEU A 30 -4.936 7.392 -7.135 1.00 1.37 C ATOM 450 C LEU A 30 -4.599 8.883 -7.045 1.00 1.65 C ATOM 451 O LEU A 30 -4.019 9.324 -6.068 1.00 1.90 O ATOM 452 CB LEU A 30 -3.957 6.669 -8.071 1.00 1.63 C ATOM 453 CG LEU A 30 -2.615 6.175 -7.501 1.00 2.17 C ATOM 454 CD1 LEU A 30 -1.806 5.461 -8.590 1.00 3.98 C ATOM 455 CD2 LEU A 30 -1.726 7.295 -6.970 1.00 1.91 C ATOM 0 H LEU A 30 -6.303 6.515 -8.443 1.00 1.04 H new ATOM 0 HA LEU A 30 -4.864 7.002 -6.120 1.00 1.37 H new ATOM 0 HB2 LEU A 30 -4.476 5.806 -8.489 1.00 1.63 H new ATOM 0 HB3 LEU A 30 -3.736 7.341 -8.901 1.00 1.63 H new ATOM 0 HG LEU A 30 -2.883 5.513 -6.678 1.00 2.17 H new ATOM 0 HD11 LEU A 30 -0.859 5.117 -8.173 1.00 3.98 H new ATOM 0 HD12 LEU A 30 -2.371 4.606 -8.962 1.00 3.98 H new ATOM 0 HD13 LEU A 30 -1.611 6.152 -9.411 1.00 3.98 H new ATOM 0 HD21 LEU A 30 -0.798 6.872 -6.585 1.00 1.91 H new ATOM 0 HD22 LEU A 30 -1.499 7.993 -7.776 1.00 1.91 H new ATOM 0 HD23 LEU A 30 -2.244 7.822 -6.169 1.00 1.91 H new ATOM 467 N SER A 31 -5.016 9.695 -8.012 1.00 1.52 N ATOM 468 CA SER A 31 -4.785 11.152 -7.999 1.00 1.92 C ATOM 469 C SER A 31 -5.580 11.948 -6.953 1.00 2.15 C ATOM 470 O SER A 31 -5.357 13.148 -6.828 1.00 2.61 O ATOM 471 CB SER A 31 -5.007 11.737 -9.404 1.00 2.20 C ATOM 472 OG SER A 31 -6.090 11.107 -10.086 1.00 2.19 O ATOM 0 H SER A 31 -5.526 9.369 -8.833 1.00 1.52 H new ATOM 0 HA SER A 31 -3.745 11.265 -7.692 1.00 1.92 H new ATOM 0 HB2 SER A 31 -5.204 12.806 -9.323 1.00 2.20 H new ATOM 0 HB3 SER A 31 -4.095 11.624 -9.991 1.00 2.20 H new ATOM 0 HG SER A 31 -5.768 10.296 -10.533 1.00 2.19 H new ATOM 478 N GLN A 32 -6.447 11.328 -6.142 1.00 1.85 N ATOM 479 CA GLN A 32 -6.897 11.965 -4.899 1.00 2.16 C ATOM 480 C GLN A 32 -5.764 11.979 -3.854 1.00 2.65 C ATOM 481 O GLN A 32 -5.771 12.813 -2.954 1.00 3.11 O ATOM 482 CB GLN A 32 -8.209 11.324 -4.410 1.00 2.03 C ATOM 483 CG GLN A 32 -8.016 10.046 -3.574 1.00 2.97 C ATOM 484 CD GLN A 32 -9.279 9.206 -3.350 1.00 3.31 C ATOM 485 OE1 GLN A 32 -9.372 8.457 -2.397 1.00 4.91 O ATOM 486 NE2 GLN A 32 -10.309 9.269 -4.174 1.00 3.08 N ATOM 0 H GLN A 32 -6.844 10.405 -6.319 1.00 1.85 H new ATOM 0 HA GLN A 32 -7.133 13.013 -5.084 1.00 2.16 H new ATOM 0 HB2 GLN A 32 -8.757 12.054 -3.815 1.00 2.03 H new ATOM 0 HB3 GLN A 32 -8.829 11.088 -5.275 1.00 2.03 H new ATOM 0 HG2 GLN A 32 -7.268 9.422 -4.064 1.00 2.97 H new ATOM 0 HG3 GLN A 32 -7.610 10.327 -2.602 1.00 2.97 H new ATOM 0 HE21 GLN A 32 -10.275 9.884 -4.987 1.00 3.08 H new ATOM 0 HE22 GLN A 32 -11.139 8.703 -3.998 1.00 3.08 H new ATOM 495 N PHE A 33 -4.740 11.132 -4.011 1.00 2.28 N ATOM 496 CA PHE A 33 -3.488 11.134 -3.242 1.00 2.74 C ATOM 497 C PHE A 33 -2.485 12.148 -3.843 1.00 3.20 C ATOM 498 O PHE A 33 -1.304 11.883 -4.086 1.00 4.09 O ATOM 499 CB PHE A 33 -2.978 9.686 -3.091 1.00 3.27 C ATOM 500 CG PHE A 33 -4.074 8.654 -2.808 1.00 3.13 C ATOM 501 CD1 PHE A 33 -5.116 8.934 -1.896 1.00 2.55 C ATOM 502 CD2 PHE A 33 -4.101 7.438 -3.522 1.00 4.56 C ATOM 503 CE1 PHE A 33 -6.188 8.037 -1.743 1.00 2.49 C ATOM 504 CE2 PHE A 33 -5.186 6.552 -3.384 1.00 4.44 C ATOM 505 CZ PHE A 33 -6.239 6.863 -2.510 1.00 3.20 C ATOM 0 H PHE A 33 -4.762 10.391 -4.711 1.00 2.28 H new ATOM 0 HA PHE A 33 -3.646 11.490 -2.224 1.00 2.74 H new ATOM 0 HB2 PHE A 33 -2.455 9.401 -4.004 1.00 3.27 H new ATOM 0 HB3 PHE A 33 -2.248 9.654 -2.282 1.00 3.27 H new ATOM 0 HD1 PHE A 33 -5.089 9.843 -1.313 1.00 2.55 H new ATOM 0 HD2 PHE A 33 -3.283 7.185 -4.180 1.00 4.56 H new ATOM 0 HE1 PHE A 33 -6.974 8.252 -1.034 1.00 2.49 H new ATOM 0 HE2 PHE A 33 -5.208 5.633 -3.951 1.00 4.44 H new ATOM 0 HZ PHE A 33 -7.087 6.200 -2.428 1.00 3.20 H new ATOM 515 N GLN A 34 -3.033 13.325 -4.155 1.00 1.57 N ATOM 516 CA GLN A 34 -2.348 14.548 -4.556 1.00 1.45 C ATOM 517 C GLN A 34 -1.636 15.220 -3.370 1.00 1.46 C ATOM 518 O GLN A 34 -0.446 14.978 -3.179 1.00 2.12 O ATOM 519 CB GLN A 34 -3.350 15.452 -5.316 1.00 1.70 C ATOM 520 CG GLN A 34 -3.161 15.452 -6.844 1.00 1.73 C ATOM 521 CD GLN A 34 -2.380 16.664 -7.351 1.00 2.71 C ATOM 522 OE1 GLN A 34 -2.694 17.804 -7.050 1.00 3.85 O ATOM 523 NE2 GLN A 34 -1.352 16.487 -8.151 1.00 3.29 N ATOM 0 H GLN A 34 -4.045 13.453 -4.131 1.00 1.57 H new ATOM 0 HA GLN A 34 -1.535 14.322 -5.246 1.00 1.45 H new ATOM 0 HB2 GLN A 34 -4.364 15.126 -5.086 1.00 1.70 H new ATOM 0 HB3 GLN A 34 -3.253 16.474 -4.948 1.00 1.70 H new ATOM 0 HG2 GLN A 34 -2.640 14.542 -7.140 1.00 1.73 H new ATOM 0 HG3 GLN A 34 -4.139 15.430 -7.325 1.00 1.73 H new ATOM 0 HE21 GLN A 34 -1.070 15.544 -8.417 1.00 3.29 H new ATOM 0 HE22 GLN A 34 -0.837 17.293 -8.505 1.00 3.29 H new ATOM 532 N ASP A 35 -2.331 16.020 -2.555 1.00 1.21 N ATOM 533 CA ASP A 35 -1.764 16.558 -1.303 1.00 1.29 C ATOM 534 C ASP A 35 -1.570 15.460 -0.242 1.00 1.22 C ATOM 535 O ASP A 35 -0.727 15.544 0.654 1.00 1.67 O ATOM 536 CB ASP A 35 -2.711 17.636 -0.751 1.00 1.63 C ATOM 537 CG ASP A 35 -2.227 18.148 0.611 1.00 2.84 C ATOM 538 OD1 ASP A 35 -1.146 18.780 0.655 1.00 4.07 O ATOM 539 OD2 ASP A 35 -2.892 17.865 1.634 1.00 3.38 O ATOM 0 H ASP A 35 -3.291 16.313 -2.736 1.00 1.21 H new ATOM 0 HA ASP A 35 -0.784 16.980 -1.527 1.00 1.29 H new ATOM 0 HB2 ASP A 35 -2.772 18.466 -1.455 1.00 1.63 H new ATOM 0 HB3 ASP A 35 -3.716 17.226 -0.653 1.00 1.63 H new ATOM 544 N LYS A 36 -2.366 14.397 -0.353 1.00 0.89 N ATOM 545 CA LYS A 36 -2.372 13.302 0.583 1.00 1.26 C ATOM 546 C LYS A 36 -1.256 12.334 0.173 1.00 1.48 C ATOM 547 O LYS A 36 -1.158 11.913 -0.977 1.00 2.08 O ATOM 548 CB LYS A 36 -3.797 12.730 0.571 1.00 1.68 C ATOM 549 CG LYS A 36 -3.935 11.290 1.038 1.00 2.90 C ATOM 550 CD LYS A 36 -3.753 11.082 2.548 1.00 3.39 C ATOM 551 CE LYS A 36 -5.096 11.020 3.291 1.00 4.13 C ATOM 552 NZ LYS A 36 -5.792 12.328 3.326 1.00 3.87 N ATOM 0 H LYS A 36 -3.034 14.282 -1.116 1.00 0.89 H new ATOM 0 HA LYS A 36 -2.153 13.574 1.616 1.00 1.26 H new ATOM 0 HB2 LYS A 36 -4.426 13.359 1.201 1.00 1.68 H new ATOM 0 HB3 LYS A 36 -4.189 12.802 -0.444 1.00 1.68 H new ATOM 0 HG2 LYS A 36 -4.920 10.923 0.751 1.00 2.90 H new ATOM 0 HG3 LYS A 36 -3.202 10.680 0.511 1.00 2.90 H new ATOM 0 HD2 LYS A 36 -3.201 10.159 2.722 1.00 3.39 H new ATOM 0 HD3 LYS A 36 -3.152 11.895 2.955 1.00 3.39 H new ATOM 0 HE2 LYS A 36 -5.739 10.284 2.809 1.00 4.13 H new ATOM 0 HE3 LYS A 36 -4.926 10.676 4.311 1.00 4.13 H new ATOM 0 HZ1 LYS A 36 -6.667 12.241 3.882 1.00 3.87 H new ATOM 0 HZ2 LYS A 36 -5.172 13.039 3.764 1.00 3.87 H new ATOM 0 HZ3 LYS A 36 -6.026 12.623 2.356 1.00 3.87 H new ATOM 566 N VAL A 37 -0.446 11.958 1.149 1.00 1.03 N ATOM 567 CA VAL A 37 0.712 11.076 1.021 1.00 1.04 C ATOM 568 C VAL A 37 0.255 9.670 1.415 1.00 1.18 C ATOM 569 O VAL A 37 0.007 9.378 2.588 1.00 1.45 O ATOM 570 CB VAL A 37 1.938 11.523 1.873 1.00 1.29 C ATOM 571 CG1 VAL A 37 3.231 11.033 1.205 1.00 1.88 C ATOM 572 CG2 VAL A 37 2.038 13.048 2.074 1.00 1.60 C ATOM 0 H VAL A 37 -0.583 12.276 2.108 1.00 1.03 H new ATOM 0 HA VAL A 37 1.064 11.109 -0.010 1.00 1.04 H new ATOM 0 HB VAL A 37 1.799 11.079 2.859 1.00 1.29 H new ATOM 0 HG11 VAL A 37 4.089 11.345 1.800 1.00 1.88 H new ATOM 0 HG12 VAL A 37 3.215 9.945 1.135 1.00 1.88 H new ATOM 0 HG13 VAL A 37 3.308 11.460 0.205 1.00 1.88 H new ATOM 0 HG21 VAL A 37 2.916 13.279 2.677 1.00 1.60 H new ATOM 0 HG22 VAL A 37 2.124 13.538 1.104 1.00 1.60 H new ATOM 0 HG23 VAL A 37 1.144 13.407 2.584 1.00 1.60 H new ATOM 582 N VAL A 38 0.067 8.820 0.406 1.00 0.74 N ATOM 583 CA VAL A 38 -0.385 7.432 0.583 1.00 0.62 C ATOM 584 C VAL A 38 0.775 6.451 0.443 1.00 0.89 C ATOM 585 O VAL A 38 1.595 6.555 -0.471 1.00 0.79 O ATOM 586 CB VAL A 38 -1.575 7.081 -0.347 1.00 0.98 C ATOM 587 CG1 VAL A 38 -1.688 5.600 -0.755 1.00 1.37 C ATOM 588 CG2 VAL A 38 -2.876 7.486 0.362 1.00 1.89 C ATOM 0 H VAL A 38 0.225 9.074 -0.569 1.00 0.74 H new ATOM 0 HA VAL A 38 -0.762 7.338 1.602 1.00 0.62 H new ATOM 0 HB VAL A 38 -1.397 7.629 -1.272 1.00 0.98 H new ATOM 0 HG11 VAL A 38 -2.553 5.466 -1.404 1.00 1.37 H new ATOM 0 HG12 VAL A 38 -0.785 5.299 -1.287 1.00 1.37 H new ATOM 0 HG13 VAL A 38 -1.805 4.985 0.137 1.00 1.37 H new ATOM 0 HG21 VAL A 38 -3.727 7.248 -0.276 1.00 1.89 H new ATOM 0 HG22 VAL A 38 -2.963 6.941 1.302 1.00 1.89 H new ATOM 0 HG23 VAL A 38 -2.862 8.557 0.563 1.00 1.89 H new ATOM 598 N LEU A 39 0.779 5.472 1.355 1.00 0.64 N ATOM 599 CA LEU A 39 1.611 4.273 1.305 1.00 0.72 C ATOM 600 C LEU A 39 0.744 3.148 0.724 1.00 1.13 C ATOM 601 O LEU A 39 -0.174 2.649 1.379 1.00 1.33 O ATOM 602 CB LEU A 39 2.123 3.917 2.719 1.00 0.88 C ATOM 603 CG LEU A 39 3.237 4.824 3.282 1.00 1.04 C ATOM 604 CD1 LEU A 39 2.776 6.261 3.578 1.00 2.12 C ATOM 605 CD2 LEU A 39 3.773 4.204 4.581 1.00 1.70 C ATOM 0 H LEU A 39 0.178 5.498 2.179 1.00 0.64 H new ATOM 0 HA LEU A 39 2.491 4.429 0.680 1.00 0.72 H new ATOM 0 HB2 LEU A 39 1.278 3.943 3.407 1.00 0.88 H new ATOM 0 HB3 LEU A 39 2.490 2.891 2.703 1.00 0.88 H new ATOM 0 HG LEU A 39 4.006 4.889 2.512 1.00 1.04 H new ATOM 0 HD11 LEU A 39 3.613 6.838 3.971 1.00 2.12 H new ATOM 0 HD12 LEU A 39 2.415 6.724 2.659 1.00 2.12 H new ATOM 0 HD13 LEU A 39 1.972 6.241 4.314 1.00 2.12 H new ATOM 0 HD21 LEU A 39 4.561 4.837 4.988 1.00 1.70 H new ATOM 0 HD22 LEU A 39 2.963 4.122 5.306 1.00 1.70 H new ATOM 0 HD23 LEU A 39 4.175 3.213 4.372 1.00 1.70 H new ATOM 617 N LEU A 40 1.025 2.785 -0.530 1.00 0.59 N ATOM 618 CA LEU A 40 0.277 1.801 -1.308 1.00 0.55 C ATOM 619 C LEU A 40 1.029 0.462 -1.269 1.00 0.99 C ATOM 620 O LEU A 40 2.205 0.402 -1.641 1.00 1.18 O ATOM 621 CB LEU A 40 0.108 2.380 -2.732 1.00 0.66 C ATOM 622 CG LEU A 40 -1.014 1.801 -3.613 1.00 0.86 C ATOM 623 CD1 LEU A 40 -0.884 0.292 -3.835 1.00 2.34 C ATOM 624 CD2 LEU A 40 -2.409 2.139 -3.073 1.00 1.94 C ATOM 0 H LEU A 40 1.808 3.184 -1.048 1.00 0.59 H new ATOM 0 HA LEU A 40 -0.716 1.605 -0.904 1.00 0.55 H new ATOM 0 HB2 LEU A 40 -0.059 3.453 -2.640 1.00 0.66 H new ATOM 0 HB3 LEU A 40 1.052 2.248 -3.261 1.00 0.66 H new ATOM 0 HG LEU A 40 -0.895 2.285 -4.582 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -1.704 -0.055 -4.463 1.00 2.34 H new ATOM 0 HD12 LEU A 40 0.065 0.077 -4.326 1.00 2.34 H new ATOM 0 HD13 LEU A 40 -0.920 -0.222 -2.874 1.00 2.34 H new ATOM 0 HD21 LEU A 40 -3.167 1.709 -3.728 1.00 1.94 H new ATOM 0 HD22 LEU A 40 -2.521 1.727 -2.070 1.00 1.94 H new ATOM 0 HD23 LEU A 40 -2.533 3.221 -3.037 1.00 1.94 H new ATOM 636 N PHE A 41 0.366 -0.597 -0.790 1.00 0.64 N ATOM 637 CA PHE A 41 0.965 -1.911 -0.564 1.00 0.69 C ATOM 638 C PHE A 41 0.137 -2.998 -1.261 1.00 1.45 C ATOM 639 O PHE A 41 -1.094 -3.016 -1.147 1.00 1.73 O ATOM 640 CB PHE A 41 1.057 -2.131 0.960 1.00 0.74 C ATOM 641 CG PHE A 41 1.606 -3.470 1.441 1.00 0.87 C ATOM 642 CD1 PHE A 41 2.723 -4.064 0.820 1.00 2.21 C ATOM 643 CD2 PHE A 41 1.023 -4.107 2.557 1.00 1.67 C ATOM 644 CE1 PHE A 41 3.233 -5.289 1.290 1.00 2.21 C ATOM 645 CE2 PHE A 41 1.533 -5.329 3.029 1.00 1.52 C ATOM 646 CZ PHE A 41 2.639 -5.920 2.395 1.00 1.04 C ATOM 0 H PHE A 41 -0.623 -0.560 -0.544 1.00 0.64 H new ATOM 0 HA PHE A 41 1.967 -1.965 -0.991 1.00 0.69 H new ATOM 0 HB2 PHE A 41 1.681 -1.341 1.378 1.00 0.74 H new ATOM 0 HB3 PHE A 41 0.059 -2.005 1.380 1.00 0.74 H new ATOM 0 HD1 PHE A 41 3.191 -3.576 -0.022 1.00 2.21 H new ATOM 0 HD2 PHE A 41 0.178 -3.652 3.053 1.00 1.67 H new ATOM 0 HE1 PHE A 41 4.082 -5.744 0.801 1.00 2.21 H new ATOM 0 HE2 PHE A 41 1.075 -5.813 3.879 1.00 1.52 H new ATOM 0 HZ PHE A 41 3.032 -6.859 2.757 1.00 1.04 H new ATOM 656 N PHE A 42 0.826 -3.891 -1.983 1.00 0.73 N ATOM 657 CA PHE A 42 0.227 -5.006 -2.718 1.00 0.76 C ATOM 658 C PHE A 42 0.424 -6.332 -1.956 1.00 1.88 C ATOM 659 O PHE A 42 1.557 -6.795 -1.795 1.00 2.28 O ATOM 660 CB PHE A 42 0.850 -5.059 -4.120 1.00 0.79 C ATOM 661 CG PHE A 42 0.449 -3.912 -5.033 1.00 0.83 C ATOM 662 CD1 PHE A 42 1.181 -2.709 -5.030 1.00 2.36 C ATOM 663 CD2 PHE A 42 -0.644 -4.052 -5.910 1.00 1.84 C ATOM 664 CE1 PHE A 42 0.851 -1.677 -5.929 1.00 2.19 C ATOM 665 CE2 PHE A 42 -0.991 -3.011 -6.789 1.00 1.91 C ATOM 666 CZ PHE A 42 -0.239 -1.826 -6.805 1.00 1.04 C ATOM 0 H PHE A 42 1.841 -3.855 -2.073 1.00 0.73 H new ATOM 0 HA PHE A 42 -0.848 -4.855 -2.813 1.00 0.76 H new ATOM 0 HB2 PHE A 42 1.935 -5.065 -4.021 1.00 0.79 H new ATOM 0 HB3 PHE A 42 0.568 -5.999 -4.594 1.00 0.79 H new ATOM 0 HD1 PHE A 42 1.998 -2.578 -4.336 1.00 2.36 H new ATOM 0 HD2 PHE A 42 -1.220 -4.966 -5.907 1.00 1.84 H new ATOM 0 HE1 PHE A 42 1.436 -0.769 -5.946 1.00 2.19 H new ATOM 0 HE2 PHE A 42 -1.836 -3.123 -7.452 1.00 1.91 H new ATOM 0 HZ PHE A 42 -0.497 -1.030 -7.488 1.00 1.04 H new ATOM 676 N GLY A 43 -0.685 -6.924 -1.486 1.00 0.87 N ATOM 677 CA GLY A 43 -0.723 -8.187 -0.729 1.00 1.00 C ATOM 678 C GLY A 43 -1.926 -9.082 -1.029 1.00 1.07 C ATOM 679 O GLY A 43 -2.810 -8.732 -1.803 1.00 1.08 O ATOM 0 H GLY A 43 -1.612 -6.523 -1.627 1.00 0.87 H new ATOM 0 HA2 GLY A 43 0.189 -8.747 -0.938 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -0.718 -7.955 0.336 1.00 1.00 H new ATOM 683 N PHE A 44 -2.000 -10.220 -0.343 1.00 1.20 N ATOM 684 CA PHE A 44 -3.176 -11.086 -0.253 1.00 1.22 C ATOM 685 C PHE A 44 -3.554 -11.237 1.230 1.00 1.96 C ATOM 686 O PHE A 44 -2.680 -11.199 2.102 1.00 2.80 O ATOM 687 CB PHE A 44 -2.816 -12.421 -0.933 1.00 1.36 C ATOM 688 CG PHE A 44 -3.875 -13.510 -0.963 1.00 1.26 C ATOM 689 CD1 PHE A 44 -5.190 -13.232 -1.382 1.00 2.41 C ATOM 690 CD2 PHE A 44 -3.511 -14.840 -0.666 1.00 2.60 C ATOM 691 CE1 PHE A 44 -6.136 -14.269 -1.481 1.00 3.50 C ATOM 692 CE2 PHE A 44 -4.453 -15.879 -0.785 1.00 3.22 C ATOM 693 CZ PHE A 44 -5.768 -15.591 -1.185 1.00 3.49 C ATOM 0 H PHE A 44 -1.208 -10.581 0.189 1.00 1.20 H new ATOM 0 HA PHE A 44 -4.048 -10.675 -0.762 1.00 1.22 H new ATOM 0 HB2 PHE A 44 -2.528 -12.206 -1.962 1.00 1.36 H new ATOM 0 HB3 PHE A 44 -1.935 -12.824 -0.433 1.00 1.36 H new ATOM 0 HD1 PHE A 44 -5.474 -12.219 -1.628 1.00 2.41 H new ATOM 0 HD2 PHE A 44 -2.504 -15.062 -0.346 1.00 2.60 H new ATOM 0 HE1 PHE A 44 -7.148 -14.047 -1.786 1.00 3.50 H new ATOM 0 HE2 PHE A 44 -4.165 -16.897 -0.569 1.00 3.22 H new ATOM 0 HZ PHE A 44 -6.495 -16.385 -1.265 1.00 3.49 H new ATOM 703 N THR A 45 -4.842 -11.399 1.560 1.00 1.05 N ATOM 704 CA THR A 45 -5.309 -11.617 2.948 1.00 1.14 C ATOM 705 C THR A 45 -4.592 -12.792 3.593 1.00 1.67 C ATOM 706 O THR A 45 -3.996 -12.647 4.659 1.00 2.40 O ATOM 707 CB THR A 45 -6.830 -11.816 3.026 1.00 1.39 C ATOM 708 OG1 THR A 45 -7.263 -12.624 1.954 1.00 2.15 O ATOM 709 CG2 THR A 45 -7.557 -10.470 3.015 1.00 1.16 C ATOM 0 H THR A 45 -5.597 -11.384 0.874 1.00 1.05 H new ATOM 0 HA THR A 45 -5.065 -10.711 3.503 1.00 1.14 H new ATOM 0 HB THR A 45 -7.069 -12.317 3.964 1.00 1.39 H new ATOM 0 HG1 THR A 45 -7.492 -12.057 1.189 1.00 2.15 H new ATOM 0 HG21 THR A 45 -8.633 -10.637 3.071 1.00 1.16 H new ATOM 0 HG22 THR A 45 -7.237 -9.877 3.871 1.00 1.16 H new ATOM 0 HG23 THR A 45 -7.320 -9.936 2.095 1.00 1.16 H new ATOM 717 N ARG A 46 -4.548 -13.920 2.882 1.00 1.59 N ATOM 718 CA ARG A 46 -3.824 -15.137 3.266 1.00 1.84 C ATOM 719 C ARG A 46 -2.347 -15.128 2.816 1.00 2.03 C ATOM 720 O ARG A 46 -1.783 -16.175 2.500 1.00 2.82 O ATOM 721 CB ARG A 46 -4.613 -16.371 2.782 1.00 2.05 C ATOM 722 CG ARG A 46 -4.370 -17.651 3.601 1.00 2.99 C ATOM 723 CD ARG A 46 -5.002 -17.588 5.001 1.00 3.81 C ATOM 724 NE ARG A 46 -4.817 -18.850 5.750 1.00 4.69 N ATOM 725 CZ ARG A 46 -5.461 -19.999 5.560 1.00 5.35 C ATOM 726 NH1 ARG A 46 -6.359 -20.149 4.606 1.00 5.53 N ATOM 727 NH2 ARG A 46 -5.206 -21.030 6.340 1.00 6.44 N ATOM 0 H ARG A 46 -5.033 -14.016 1.990 1.00 1.59 H new ATOM 0 HA ARG A 46 -3.763 -15.181 4.353 1.00 1.84 H new ATOM 0 HB2 ARG A 46 -5.677 -16.137 2.806 1.00 2.05 H new ATOM 0 HB3 ARG A 46 -4.353 -16.567 1.742 1.00 2.05 H new ATOM 0 HG2 ARG A 46 -4.777 -18.506 3.061 1.00 2.99 H new ATOM 0 HG3 ARG A 46 -3.297 -17.817 3.698 1.00 2.99 H new ATOM 0 HD2 ARG A 46 -4.559 -16.765 5.562 1.00 3.81 H new ATOM 0 HD3 ARG A 46 -6.067 -17.374 4.909 1.00 3.81 H new ATOM 0 HE ARG A 46 -4.119 -18.838 6.494 1.00 4.69 H new ATOM 0 HH11 ARG A 46 -6.579 -19.370 3.985 1.00 5.53 H new ATOM 0 HH12 ARG A 46 -6.834 -21.044 4.489 1.00 5.53 H new ATOM 0 HH21 ARG A 46 -4.517 -20.946 7.087 1.00 6.44 H new ATOM 0 HH22 ARG A 46 -5.698 -21.912 6.197 1.00 6.44 H new ATOM 741 N CYS A 47 -1.692 -13.962 2.783 1.00 1.63 N ATOM 742 CA CYS A 47 -0.228 -13.911 2.930 1.00 1.81 C ATOM 743 C CYS A 47 0.207 -14.528 4.285 1.00 1.68 C ATOM 744 O CYS A 47 -0.655 -14.798 5.128 1.00 1.96 O ATOM 745 CB CYS A 47 0.229 -12.448 2.792 1.00 2.42 C ATOM 746 SG CYS A 47 0.450 -12.007 1.048 1.00 3.92 S ATOM 0 H CYS A 47 -2.140 -13.054 2.658 1.00 1.63 H new ATOM 0 HA CYS A 47 0.248 -14.503 2.149 1.00 1.81 H new ATOM 0 HB2 CYS A 47 -0.508 -11.787 3.249 1.00 2.42 H new ATOM 0 HB3 CYS A 47 1.165 -12.302 3.331 1.00 2.42 H new ATOM 0 HG CYS A 47 0.833 -10.768 0.959 1.00 3.92 H new ATOM 752 N PRO A 48 1.517 -14.763 4.509 1.00 1.72 N ATOM 753 CA PRO A 48 2.038 -15.251 5.782 1.00 2.03 C ATOM 754 C PRO A 48 2.149 -14.085 6.787 1.00 2.05 C ATOM 755 O PRO A 48 1.170 -13.397 7.053 1.00 2.73 O ATOM 756 CB PRO A 48 3.360 -15.945 5.403 1.00 2.67 C ATOM 757 CG PRO A 48 3.879 -15.071 4.263 1.00 2.62 C ATOM 758 CD PRO A 48 2.594 -14.707 3.524 1.00 2.15 C ATOM 0 HA PRO A 48 1.399 -15.964 6.303 1.00 2.03 H new ATOM 0 HB2 PRO A 48 4.057 -15.975 6.241 1.00 2.67 H new ATOM 0 HB3 PRO A 48 3.200 -16.975 5.084 1.00 2.67 H new ATOM 0 HG2 PRO A 48 4.400 -14.188 4.632 1.00 2.62 H new ATOM 0 HG3 PRO A 48 4.578 -15.609 3.623 1.00 2.62 H new ATOM 0 HD2 PRO A 48 2.667 -13.712 3.086 1.00 2.15 H new ATOM 0 HD3 PRO A 48 2.407 -15.402 2.706 1.00 2.15 H new ATOM 766 N ASP A 49 3.342 -13.855 7.326 1.00 1.73 N ATOM 767 CA ASP A 49 3.702 -12.827 8.315 1.00 1.69 C ATOM 768 C ASP A 49 3.696 -11.432 7.687 1.00 1.39 C ATOM 769 O ASP A 49 3.276 -10.449 8.286 1.00 1.66 O ATOM 770 CB ASP A 49 5.117 -13.148 8.851 1.00 2.13 C ATOM 771 CG ASP A 49 6.088 -13.759 7.819 1.00 3.10 C ATOM 772 OD1 ASP A 49 5.953 -13.437 6.610 1.00 4.13 O ATOM 773 OD2 ASP A 49 6.890 -14.625 8.222 1.00 3.97 O ATOM 0 H ASP A 49 4.149 -14.422 7.067 1.00 1.73 H new ATOM 0 HA ASP A 49 2.971 -12.833 9.123 1.00 1.69 H new ATOM 0 HB2 ASP A 49 5.557 -12.230 9.241 1.00 2.13 H new ATOM 0 HB3 ASP A 49 5.022 -13.838 9.690 1.00 2.13 H new ATOM 778 N VAL A 50 4.136 -11.382 6.440 1.00 1.15 N ATOM 779 CA VAL A 50 4.404 -10.178 5.669 1.00 1.08 C ATOM 780 C VAL A 50 3.205 -9.236 5.458 1.00 1.18 C ATOM 781 O VAL A 50 3.415 -8.064 5.164 1.00 1.48 O ATOM 782 CB VAL A 50 5.067 -10.625 4.346 1.00 1.15 C ATOM 783 CG1 VAL A 50 4.134 -10.644 3.122 1.00 1.35 C ATOM 784 CG2 VAL A 50 6.328 -9.807 4.107 1.00 1.87 C ATOM 0 H VAL A 50 4.327 -12.231 5.907 1.00 1.15 H new ATOM 0 HA VAL A 50 5.074 -9.544 6.250 1.00 1.08 H new ATOM 0 HB VAL A 50 5.333 -11.675 4.470 1.00 1.15 H new ATOM 0 HG11 VAL A 50 4.692 -10.971 2.244 1.00 1.35 H new ATOM 0 HG12 VAL A 50 3.309 -11.332 3.304 1.00 1.35 H new ATOM 0 HG13 VAL A 50 3.740 -9.643 2.949 1.00 1.35 H new ATOM 0 HG21 VAL A 50 6.795 -10.123 3.174 1.00 1.87 H new ATOM 0 HG22 VAL A 50 6.070 -8.750 4.044 1.00 1.87 H new ATOM 0 HG23 VAL A 50 7.024 -9.962 4.932 1.00 1.87 H new ATOM 794 N CYS A 51 1.956 -9.707 5.597 1.00 1.04 N ATOM 795 CA CYS A 51 0.805 -8.809 5.797 1.00 1.10 C ATOM 796 C CYS A 51 0.688 -8.260 7.239 1.00 1.36 C ATOM 797 O CYS A 51 0.738 -7.037 7.392 1.00 1.56 O ATOM 798 CB CYS A 51 -0.493 -9.437 5.254 1.00 1.27 C ATOM 799 SG CYS A 51 -0.572 -9.112 3.467 1.00 1.60 S ATOM 0 H CYS A 51 1.717 -10.698 5.575 1.00 1.04 H new ATOM 0 HA CYS A 51 0.989 -7.917 5.199 1.00 1.10 H new ATOM 0 HB2 CYS A 51 -0.507 -10.510 5.447 1.00 1.27 H new ATOM 0 HB3 CYS A 51 -1.361 -9.012 5.757 1.00 1.27 H new ATOM 0 HG CYS A 51 -1.439 -9.911 2.919 1.00 1.60 H new ATOM 805 N PRO A 52 0.504 -9.091 8.286 1.00 1.11 N ATOM 806 CA PRO A 52 0.236 -8.614 9.641 1.00 1.14 C ATOM 807 C PRO A 52 1.415 -7.890 10.305 1.00 1.34 C ATOM 808 O PRO A 52 1.164 -6.926 11.031 1.00 1.22 O ATOM 809 CB PRO A 52 -0.201 -9.853 10.436 1.00 1.33 C ATOM 810 CG PRO A 52 0.382 -11.030 9.664 1.00 1.39 C ATOM 811 CD PRO A 52 0.282 -10.528 8.227 1.00 1.27 C ATOM 0 HA PRO A 52 -0.538 -7.847 9.614 1.00 1.14 H new ATOM 0 HB2 PRO A 52 0.178 -9.822 11.458 1.00 1.33 H new ATOM 0 HB3 PRO A 52 -1.287 -9.920 10.500 1.00 1.33 H new ATOM 0 HG2 PRO A 52 1.411 -11.242 9.954 1.00 1.39 H new ATOM 0 HG3 PRO A 52 -0.188 -11.946 9.820 1.00 1.39 H new ATOM 0 HD2 PRO A 52 1.025 -11.012 7.593 1.00 1.27 H new ATOM 0 HD3 PRO A 52 -0.696 -10.754 7.802 1.00 1.27 H new ATOM 819 N THR A 53 2.671 -8.298 10.062 1.00 0.98 N ATOM 820 CA THR A 53 3.857 -7.663 10.664 1.00 0.99 C ATOM 821 C THR A 53 4.027 -6.255 10.111 1.00 1.16 C ATOM 822 O THR A 53 4.010 -5.299 10.888 1.00 1.12 O ATOM 823 CB THR A 53 5.119 -8.499 10.428 1.00 1.12 C ATOM 824 OG1 THR A 53 4.881 -9.811 10.876 1.00 1.79 O ATOM 825 CG2 THR A 53 6.311 -7.964 11.222 1.00 1.94 C ATOM 0 H THR A 53 2.894 -9.077 9.443 1.00 0.98 H new ATOM 0 HA THR A 53 3.705 -7.603 11.742 1.00 0.99 H new ATOM 0 HB THR A 53 5.348 -8.459 9.363 1.00 1.12 H new ATOM 0 HG1 THR A 53 4.337 -10.288 10.216 1.00 1.79 H new ATOM 0 HG21 THR A 53 7.186 -8.584 11.027 1.00 1.94 H new ATOM 0 HG22 THR A 53 6.519 -6.938 10.919 1.00 1.94 H new ATOM 0 HG23 THR A 53 6.079 -7.988 12.287 1.00 1.94 H new ATOM 833 N THR A 54 4.068 -6.123 8.780 1.00 0.98 N ATOM 834 CA THR A 54 4.028 -4.849 8.049 1.00 0.88 C ATOM 835 C THR A 54 2.858 -3.981 8.488 1.00 1.01 C ATOM 836 O THR A 54 3.085 -2.820 8.810 1.00 1.07 O ATOM 837 CB THR A 54 4.021 -5.118 6.539 1.00 0.87 C ATOM 838 OG1 THR A 54 5.321 -5.480 6.135 1.00 1.29 O ATOM 839 CG2 THR A 54 3.638 -3.909 5.684 1.00 0.99 C ATOM 0 H THR A 54 4.132 -6.929 8.159 1.00 0.98 H new ATOM 0 HA THR A 54 4.927 -4.281 8.288 1.00 0.88 H new ATOM 0 HB THR A 54 3.276 -5.898 6.386 1.00 0.87 H new ATOM 0 HG1 THR A 54 5.745 -6.015 6.838 1.00 1.29 H new ATOM 0 HG21 THR A 54 3.658 -4.187 4.630 1.00 0.99 H new ATOM 0 HG22 THR A 54 2.635 -3.577 5.952 1.00 0.99 H new ATOM 0 HG23 THR A 54 4.347 -3.100 5.859 1.00 0.99 H new ATOM 847 N LEU A 55 1.623 -4.488 8.552 1.00 0.79 N ATOM 848 CA LEU A 55 0.478 -3.661 8.950 1.00 0.75 C ATOM 849 C LEU A 55 0.572 -3.190 10.410 1.00 1.24 C ATOM 850 O LEU A 55 0.197 -2.051 10.680 1.00 1.45 O ATOM 851 CB LEU A 55 -0.840 -4.413 8.686 1.00 0.75 C ATOM 852 CG LEU A 55 -1.231 -4.515 7.195 1.00 0.82 C ATOM 853 CD1 LEU A 55 -2.371 -5.533 7.032 1.00 1.45 C ATOM 854 CD2 LEU A 55 -1.683 -3.161 6.623 1.00 1.25 C ATOM 0 H LEU A 55 1.391 -5.457 8.336 1.00 0.79 H new ATOM 0 HA LEU A 55 0.495 -2.760 8.337 1.00 0.75 H new ATOM 0 HB2 LEU A 55 -0.758 -5.419 9.097 1.00 0.75 H new ATOM 0 HB3 LEU A 55 -1.644 -3.913 9.226 1.00 0.75 H new ATOM 0 HG LEU A 55 -0.347 -4.836 6.644 1.00 0.82 H new ATOM 0 HD11 LEU A 55 -2.647 -5.605 5.980 1.00 1.45 H new ATOM 0 HD12 LEU A 55 -2.041 -6.509 7.388 1.00 1.45 H new ATOM 0 HD13 LEU A 55 -3.235 -5.208 7.612 1.00 1.45 H new ATOM 0 HD21 LEU A 55 -1.948 -3.280 5.572 1.00 1.25 H new ATOM 0 HD22 LEU A 55 -2.550 -2.803 7.178 1.00 1.25 H new ATOM 0 HD23 LEU A 55 -0.871 -2.439 6.713 1.00 1.25 H new ATOM 866 N LEU A 56 1.096 -3.995 11.340 1.00 0.77 N ATOM 867 CA LEU A 56 1.333 -3.575 12.730 1.00 0.80 C ATOM 868 C LEU A 56 2.475 -2.554 12.820 1.00 1.15 C ATOM 869 O LEU A 56 2.340 -1.558 13.534 1.00 1.28 O ATOM 870 CB LEU A 56 1.589 -4.832 13.586 1.00 0.85 C ATOM 871 CG LEU A 56 1.580 -4.570 15.108 1.00 1.14 C ATOM 872 CD1 LEU A 56 1.078 -5.818 15.854 1.00 1.53 C ATOM 873 CD2 LEU A 56 2.967 -4.203 15.661 1.00 1.50 C ATOM 0 H LEU A 56 1.369 -4.960 11.152 1.00 0.77 H new ATOM 0 HA LEU A 56 0.453 -3.064 13.119 1.00 0.80 H new ATOM 0 HB2 LEU A 56 0.830 -5.579 13.352 1.00 0.85 H new ATOM 0 HB3 LEU A 56 2.553 -5.259 13.307 1.00 0.85 H new ATOM 0 HG LEU A 56 0.915 -3.721 15.269 1.00 1.14 H new ATOM 0 HD11 LEU A 56 1.075 -5.624 16.927 1.00 1.53 H new ATOM 0 HD12 LEU A 56 0.066 -6.056 15.525 1.00 1.53 H new ATOM 0 HD13 LEU A 56 1.736 -6.660 15.639 1.00 1.53 H new ATOM 0 HD21 LEU A 56 2.897 -4.031 16.735 1.00 1.50 H new ATOM 0 HD22 LEU A 56 3.663 -5.020 15.469 1.00 1.50 H new ATOM 0 HD23 LEU A 56 3.326 -3.298 15.171 1.00 1.50 H new ATOM 885 N ALA A 57 3.578 -2.760 12.089 1.00 0.92 N ATOM 886 CA ALA A 57 4.702 -1.822 12.013 1.00 0.97 C ATOM 887 C ALA A 57 4.272 -0.462 11.441 1.00 1.13 C ATOM 888 O ALA A 57 4.672 0.583 11.965 1.00 1.30 O ATOM 889 CB ALA A 57 5.815 -2.464 11.172 1.00 0.97 C ATOM 0 H ALA A 57 3.715 -3.598 11.524 1.00 0.92 H new ATOM 0 HA ALA A 57 5.074 -1.622 13.018 1.00 0.97 H new ATOM 0 HB1 ALA A 57 6.661 -1.780 11.104 1.00 0.97 H new ATOM 0 HB2 ALA A 57 6.137 -3.393 11.643 1.00 0.97 H new ATOM 0 HB3 ALA A 57 5.439 -2.676 10.171 1.00 0.97 H new ATOM 895 N LEU A 58 3.419 -0.467 10.409 1.00 1.04 N ATOM 896 CA LEU A 58 2.811 0.726 9.813 1.00 1.09 C ATOM 897 C LEU A 58 1.978 1.536 10.815 1.00 1.51 C ATOM 898 O LEU A 58 2.033 2.766 10.776 1.00 1.55 O ATOM 899 CB LEU A 58 1.957 0.303 8.600 1.00 1.11 C ATOM 900 CG LEU A 58 2.786 -0.039 7.343 1.00 1.19 C ATOM 901 CD1 LEU A 58 1.920 -0.766 6.306 1.00 1.28 C ATOM 902 CD2 LEU A 58 3.346 1.225 6.689 1.00 1.64 C ATOM 0 H LEU A 58 3.124 -1.330 9.952 1.00 1.04 H new ATOM 0 HA LEU A 58 3.615 1.387 9.490 1.00 1.09 H new ATOM 0 HB2 LEU A 58 1.357 -0.564 8.875 1.00 1.11 H new ATOM 0 HB3 LEU A 58 1.263 1.108 8.358 1.00 1.11 H new ATOM 0 HG LEU A 58 3.606 -0.680 7.666 1.00 1.19 H new ATOM 0 HD11 LEU A 58 2.522 -0.998 5.428 1.00 1.28 H new ATOM 0 HD12 LEU A 58 1.535 -1.690 6.737 1.00 1.28 H new ATOM 0 HD13 LEU A 58 1.086 -0.127 6.016 1.00 1.28 H new ATOM 0 HD21 LEU A 58 3.925 0.952 5.807 1.00 1.64 H new ATOM 0 HD22 LEU A 58 2.524 1.878 6.396 1.00 1.64 H new ATOM 0 HD23 LEU A 58 3.989 1.747 7.398 1.00 1.64 H new ATOM 914 N LYS A 59 1.280 0.892 11.765 1.00 1.27 N ATOM 915 CA LYS A 59 0.553 1.613 12.823 1.00 1.35 C ATOM 916 C LYS A 59 1.461 2.640 13.506 1.00 1.41 C ATOM 917 O LYS A 59 1.125 3.819 13.560 1.00 1.35 O ATOM 918 CB LYS A 59 0.036 0.725 13.937 1.00 2.23 C ATOM 919 CG LYS A 59 -0.854 -0.459 13.595 1.00 0.96 C ATOM 920 CD LYS A 59 -0.857 -1.406 14.792 1.00 1.76 C ATOM 921 CE LYS A 59 -1.743 -1.055 15.999 1.00 1.06 C ATOM 922 NZ LYS A 59 -1.577 0.328 16.525 1.00 1.48 N ATOM 0 H LYS A 59 1.204 -0.124 11.822 1.00 1.27 H new ATOM 0 HA LYS A 59 -0.288 2.070 12.301 1.00 1.35 H new ATOM 0 HB2 LYS A 59 0.901 0.339 14.476 1.00 2.23 H new ATOM 0 HB3 LYS A 59 -0.515 1.359 14.632 1.00 2.23 H new ATOM 0 HG2 LYS A 59 -1.867 -0.123 13.372 1.00 0.96 H new ATOM 0 HG3 LYS A 59 -0.484 -0.970 12.706 1.00 0.96 H new ATOM 0 HD2 LYS A 59 -1.157 -2.391 14.435 1.00 1.76 H new ATOM 0 HD3 LYS A 59 0.169 -1.495 15.148 1.00 1.76 H new ATOM 0 HE2 LYS A 59 -2.786 -1.197 15.717 1.00 1.06 H new ATOM 0 HE3 LYS A 59 -1.531 -1.760 16.803 1.00 1.06 H new ATOM 0 HZ1 LYS A 59 -1.963 0.381 17.489 1.00 1.48 H new ATOM 0 HZ2 LYS A 59 -0.567 0.574 16.543 1.00 1.48 H new ATOM 0 HZ3 LYS A 59 -2.085 0.996 15.911 1.00 1.48 H new ATOM 936 N ARG A 60 2.627 2.186 13.971 1.00 1.46 N ATOM 937 CA ARG A 60 3.533 2.963 14.812 1.00 1.63 C ATOM 938 C ARG A 60 4.144 4.170 14.081 1.00 1.80 C ATOM 939 O ARG A 60 4.613 5.086 14.748 1.00 1.92 O ATOM 940 CB ARG A 60 4.593 2.025 15.406 1.00 1.86 C ATOM 941 CG ARG A 60 4.047 1.152 16.546 1.00 2.10 C ATOM 942 CD ARG A 60 5.136 0.178 17.013 1.00 1.77 C ATOM 943 NE ARG A 60 4.796 -0.455 18.303 1.00 2.34 N ATOM 944 CZ ARG A 60 5.514 -1.378 18.940 1.00 3.34 C ATOM 945 NH1 ARG A 60 6.598 -1.895 18.394 1.00 3.87 N ATOM 946 NH2 ARG A 60 5.162 -1.787 20.146 1.00 4.55 N ATOM 0 H ARG A 60 2.973 1.248 13.768 1.00 1.46 H new ATOM 0 HA ARG A 60 2.959 3.403 15.628 1.00 1.63 H new ATOM 0 HB2 ARG A 60 4.984 1.382 14.618 1.00 1.86 H new ATOM 0 HB3 ARG A 60 5.429 2.618 15.778 1.00 1.86 H new ATOM 0 HG2 ARG A 60 3.726 1.780 17.377 1.00 2.10 H new ATOM 0 HG3 ARG A 60 3.171 0.599 16.207 1.00 2.10 H new ATOM 0 HD2 ARG A 60 5.280 -0.594 16.257 1.00 1.77 H new ATOM 0 HD3 ARG A 60 6.082 0.711 17.109 1.00 1.77 H new ATOM 0 HE ARG A 60 3.928 -0.157 18.749 1.00 2.34 H new ATOM 0 HH11 ARG A 60 6.899 -1.589 17.469 1.00 3.87 H new ATOM 0 HH12 ARG A 60 7.135 -2.601 18.897 1.00 3.87 H new ATOM 0 HH21 ARG A 60 4.335 -1.395 20.596 1.00 4.55 H new ATOM 0 HH22 ARG A 60 5.718 -2.494 20.627 1.00 4.55 H new ATOM 960 N ALA A 61 4.134 4.199 12.741 1.00 1.32 N ATOM 961 CA ALA A 61 4.455 5.405 11.973 1.00 1.33 C ATOM 962 C ALA A 61 3.330 6.451 12.067 1.00 1.40 C ATOM 963 O ALA A 61 3.580 7.628 12.318 1.00 1.59 O ATOM 964 CB ALA A 61 4.757 5.011 10.517 1.00 1.31 C ATOM 0 H ALA A 61 3.904 3.390 12.164 1.00 1.32 H new ATOM 0 HA ALA A 61 5.342 5.875 12.398 1.00 1.33 H new ATOM 0 HB1 ALA A 61 4.997 5.905 9.940 1.00 1.31 H new ATOM 0 HB2 ALA A 61 5.605 4.326 10.494 1.00 1.31 H new ATOM 0 HB3 ALA A 61 3.884 4.523 10.084 1.00 1.31 H new ATOM 970 N TYR A 62 2.082 6.005 11.907 1.00 1.14 N ATOM 971 CA TYR A 62 0.869 6.823 12.008 1.00 1.19 C ATOM 972 C TYR A 62 0.534 7.263 13.454 1.00 1.39 C ATOM 973 O TYR A 62 0.092 8.389 13.657 1.00 1.63 O ATOM 974 CB TYR A 62 -0.268 6.025 11.340 1.00 1.14 C ATOM 975 CG TYR A 62 -1.606 6.731 11.278 1.00 1.71 C ATOM 976 CD1 TYR A 62 -2.383 6.862 12.443 1.00 2.62 C ATOM 977 CD2 TYR A 62 -2.087 7.240 10.055 1.00 2.24 C ATOM 978 CE1 TYR A 62 -3.594 7.575 12.413 1.00 3.15 C ATOM 979 CE2 TYR A 62 -3.331 7.894 10.003 1.00 2.74 C ATOM 980 CZ TYR A 62 -4.073 8.087 11.188 1.00 2.90 C ATOM 981 OH TYR A 62 -5.256 8.751 11.145 1.00 3.56 O ATOM 0 H TYR A 62 1.880 5.028 11.696 1.00 1.14 H new ATOM 0 HA TYR A 62 1.021 7.770 11.491 1.00 1.19 H new ATOM 0 HB2 TYR A 62 0.037 5.771 10.325 1.00 1.14 H new ATOM 0 HB3 TYR A 62 -0.396 5.086 11.879 1.00 1.14 H new ATOM 0 HD1 TYR A 62 -2.047 6.412 13.366 1.00 2.62 H new ATOM 0 HD2 TYR A 62 -1.499 7.128 9.156 1.00 2.24 H new ATOM 0 HE1 TYR A 62 -4.155 7.730 13.323 1.00 3.15 H new ATOM 0 HE2 TYR A 62 -3.718 8.248 9.059 1.00 2.74 H new ATOM 0 HH TYR A 62 -5.449 9.133 12.027 1.00 3.56 H new ATOM 991 N GLU A 63 0.754 6.402 14.451 1.00 1.14 N ATOM 992 CA GLU A 63 0.545 6.653 15.889 1.00 1.25 C ATOM 993 C GLU A 63 1.570 7.644 16.475 1.00 1.54 C ATOM 994 O GLU A 63 1.356 8.195 17.549 1.00 1.79 O ATOM 995 CB GLU A 63 0.623 5.326 16.679 1.00 1.35 C ATOM 996 CG GLU A 63 -0.502 4.316 16.388 1.00 1.42 C ATOM 997 CD GLU A 63 -0.227 2.955 17.036 1.00 1.97 C ATOM 998 OE1 GLU A 63 0.608 2.177 16.518 1.00 2.59 O ATOM 999 OE2 GLU A 63 -0.951 2.550 17.969 1.00 2.80 O ATOM 0 H GLU A 63 1.101 5.460 14.273 1.00 1.14 H new ATOM 0 HA GLU A 63 -0.445 7.098 15.986 1.00 1.25 H new ATOM 0 HB2 GLU A 63 1.580 4.850 16.463 1.00 1.35 H new ATOM 0 HB3 GLU A 63 0.615 5.556 17.744 1.00 1.35 H new ATOM 0 HG2 GLU A 63 -1.449 4.710 16.758 1.00 1.42 H new ATOM 0 HG3 GLU A 63 -0.608 4.191 15.310 1.00 1.42 H new ATOM 1006 N LYS A 64 2.709 7.860 15.800 1.00 1.35 N ATOM 1007 CA LYS A 64 3.798 8.714 16.295 1.00 1.45 C ATOM 1008 C LYS A 64 3.722 10.164 15.785 1.00 1.67 C ATOM 1009 O LYS A 64 4.244 11.071 16.438 1.00 2.05 O ATOM 1010 CB LYS A 64 5.126 8.032 15.915 1.00 1.53 C ATOM 1011 CG LYS A 64 6.363 8.723 16.508 1.00 2.35 C ATOM 1012 CD LYS A 64 7.649 7.955 16.179 1.00 2.74 C ATOM 1013 CE LYS A 64 8.820 8.588 16.937 1.00 3.73 C ATOM 1014 NZ LYS A 64 10.096 7.881 16.682 1.00 4.44 N ATOM 0 H LYS A 64 2.901 7.444 14.889 1.00 1.35 H new ATOM 0 HA LYS A 64 3.713 8.810 17.377 1.00 1.45 H new ATOM 0 HB2 LYS A 64 5.102 6.996 16.252 1.00 1.53 H new ATOM 0 HB3 LYS A 64 5.217 8.012 14.829 1.00 1.53 H new ATOM 0 HG2 LYS A 64 6.435 9.739 16.119 1.00 2.35 H new ATOM 0 HG3 LYS A 64 6.253 8.803 17.589 1.00 2.35 H new ATOM 0 HD2 LYS A 64 7.543 6.907 16.459 1.00 2.74 H new ATOM 0 HD3 LYS A 64 7.838 7.981 15.106 1.00 2.74 H new ATOM 0 HE2 LYS A 64 8.920 9.633 16.642 1.00 3.73 H new ATOM 0 HE3 LYS A 64 8.607 8.577 18.006 1.00 3.73 H new ATOM 0 HZ1 LYS A 64 10.795 8.155 17.402 1.00 4.44 H new ATOM 0 HZ2 LYS A 64 9.939 6.854 16.726 1.00 4.44 H new ATOM 0 HZ3 LYS A 64 10.452 8.136 15.739 1.00 4.44 H new ATOM 1028 N LEU A 65 3.110 10.407 14.622 1.00 1.39 N ATOM 1029 CA LEU A 65 2.942 11.756 14.063 1.00 1.47 C ATOM 1030 C LEU A 65 1.866 12.550 14.838 1.00 1.79 C ATOM 1031 O LEU A 65 1.019 11.944 15.491 1.00 1.87 O ATOM 1032 CB LEU A 65 2.746 11.664 12.529 1.00 1.45 C ATOM 1033 CG LEU A 65 1.636 10.735 11.990 1.00 2.10 C ATOM 1034 CD1 LEU A 65 0.211 11.222 12.284 1.00 3.34 C ATOM 1035 CD2 LEU A 65 1.785 10.610 10.470 1.00 3.03 C ATOM 0 H LEU A 65 2.714 9.671 14.037 1.00 1.39 H new ATOM 0 HA LEU A 65 3.847 12.348 14.202 1.00 1.47 H new ATOM 0 HB2 LEU A 65 2.548 12.670 12.158 1.00 1.45 H new ATOM 0 HB3 LEU A 65 3.691 11.343 12.091 1.00 1.45 H new ATOM 0 HG LEU A 65 1.764 9.782 12.504 1.00 2.10 H new ATOM 0 HD11 LEU A 65 -0.508 10.514 11.872 1.00 3.34 H new ATOM 0 HD12 LEU A 65 0.068 11.299 13.362 1.00 3.34 H new ATOM 0 HD13 LEU A 65 0.059 12.200 11.827 1.00 3.34 H new ATOM 0 HD21 LEU A 65 1.005 9.956 10.081 1.00 3.03 H new ATOM 0 HD22 LEU A 65 1.693 11.595 10.013 1.00 3.03 H new ATOM 0 HD23 LEU A 65 2.763 10.190 10.234 1.00 3.03 H new ATOM 1047 N PRO A 66 1.882 13.902 14.825 1.00 1.78 N ATOM 1048 CA PRO A 66 0.880 14.673 15.547 1.00 1.96 C ATOM 1049 C PRO A 66 -0.486 14.480 14.886 1.00 2.01 C ATOM 1050 O PRO A 66 -0.548 14.246 13.673 1.00 1.80 O ATOM 1051 CB PRO A 66 1.342 16.133 15.502 1.00 2.41 C ATOM 1052 CG PRO A 66 2.174 16.198 14.227 1.00 2.40 C ATOM 1053 CD PRO A 66 2.779 14.798 14.112 1.00 2.09 C ATOM 0 HA PRO A 66 0.775 14.351 16.583 1.00 1.96 H new ATOM 0 HB2 PRO A 66 0.498 16.821 15.467 1.00 2.41 H new ATOM 0 HB3 PRO A 66 1.931 16.396 16.381 1.00 2.41 H new ATOM 0 HG2 PRO A 66 1.559 16.440 13.360 1.00 2.40 H new ATOM 0 HG3 PRO A 66 2.947 16.963 14.293 1.00 2.40 H new ATOM 0 HD2 PRO A 66 2.875 14.501 13.068 1.00 2.09 H new ATOM 0 HD3 PRO A 66 3.779 14.771 14.544 1.00 2.09 H new ATOM 1061 N PRO A 67 -1.590 14.633 15.645 1.00 1.87 N ATOM 1062 CA PRO A 67 -2.934 14.413 15.134 1.00 2.03 C ATOM 1063 C PRO A 67 -3.288 15.333 13.959 1.00 2.34 C ATOM 1064 O PRO A 67 -4.201 15.009 13.206 1.00 2.41 O ATOM 1065 CB PRO A 67 -3.874 14.599 16.330 1.00 2.34 C ATOM 1066 CG PRO A 67 -3.074 15.475 17.293 1.00 2.46 C ATOM 1067 CD PRO A 67 -1.638 15.017 17.048 1.00 2.05 C ATOM 0 HA PRO A 67 -3.026 13.411 14.714 1.00 2.03 H new ATOM 0 HB2 PRO A 67 -4.807 15.079 16.034 1.00 2.34 H new ATOM 0 HB3 PRO A 67 -4.137 13.644 16.784 1.00 2.34 H new ATOM 0 HG2 PRO A 67 -3.203 16.536 17.078 1.00 2.46 H new ATOM 0 HG3 PRO A 67 -3.377 15.320 18.328 1.00 2.46 H new ATOM 0 HD2 PRO A 67 -0.929 15.817 17.261 1.00 2.05 H new ATOM 0 HD3 PRO A 67 -1.377 14.179 17.694 1.00 2.05 H new ATOM 1075 N LYS A 68 -2.546 16.428 13.731 1.00 2.42 N ATOM 1076 CA LYS A 68 -2.747 17.238 12.530 1.00 2.67 C ATOM 1077 C LYS A 68 -2.270 16.483 11.274 1.00 2.83 C ATOM 1078 O LYS A 68 -3.035 16.257 10.342 1.00 3.32 O ATOM 1079 CB LYS A 68 -2.076 18.598 12.712 1.00 2.81 C ATOM 1080 CG LYS A 68 -2.776 19.587 11.765 1.00 3.29 C ATOM 1081 CD LYS A 68 -1.816 20.709 11.412 1.00 2.44 C ATOM 1082 CE LYS A 68 -2.389 21.726 10.414 1.00 3.29 C ATOM 1083 NZ LYS A 68 -2.696 21.094 9.110 1.00 3.86 N ATOM 0 H LYS A 68 -1.813 16.765 14.355 1.00 2.42 H new ATOM 0 HA LYS A 68 -3.811 17.422 12.380 1.00 2.67 H new ATOM 0 HB2 LYS A 68 -2.160 18.932 13.746 1.00 2.81 H new ATOM 0 HB3 LYS A 68 -1.012 18.535 12.483 1.00 2.81 H new ATOM 0 HG2 LYS A 68 -3.102 19.073 10.860 1.00 3.29 H new ATOM 0 HG3 LYS A 68 -3.669 19.993 12.240 1.00 3.29 H new ATOM 0 HD2 LYS A 68 -1.531 21.231 12.325 1.00 2.44 H new ATOM 0 HD3 LYS A 68 -0.906 20.278 10.995 1.00 2.44 H new ATOM 0 HE2 LYS A 68 -3.295 22.171 10.826 1.00 3.29 H new ATOM 0 HE3 LYS A 68 -1.674 22.536 10.268 1.00 3.29 H new ATOM 0 HZ1 LYS A 68 -2.735 21.825 8.371 1.00 3.86 H new ATOM 0 HZ2 LYS A 68 -1.954 20.404 8.876 1.00 3.86 H new ATOM 0 HZ3 LYS A 68 -3.614 20.609 9.167 1.00 3.86 H new ATOM 1097 N ALA A 69 -1.030 15.982 11.306 1.00 2.28 N ATOM 1098 CA ALA A 69 -0.340 15.357 10.174 1.00 2.02 C ATOM 1099 C ALA A 69 -1.022 14.087 9.632 1.00 1.77 C ATOM 1100 O ALA A 69 -0.783 13.725 8.480 1.00 1.54 O ATOM 1101 CB ALA A 69 1.114 15.093 10.581 1.00 2.03 C ATOM 0 H ALA A 69 -0.460 16.002 12.152 1.00 2.28 H new ATOM 0 HA ALA A 69 -0.383 16.053 9.337 1.00 2.02 H new ATOM 0 HB1 ALA A 69 1.645 14.627 9.751 1.00 2.03 H new ATOM 0 HB2 ALA A 69 1.597 16.036 10.838 1.00 2.03 H new ATOM 0 HB3 ALA A 69 1.135 14.428 11.444 1.00 2.03 H new ATOM 1107 N GLN A 70 -1.914 13.446 10.401 1.00 1.75 N ATOM 1108 CA GLN A 70 -2.842 12.427 9.892 1.00 1.75 C ATOM 1109 C GLN A 70 -3.486 12.862 8.564 1.00 1.74 C ATOM 1110 O GLN A 70 -3.548 12.069 7.627 1.00 1.89 O ATOM 1111 CB GLN A 70 -3.964 12.192 10.911 1.00 2.28 C ATOM 1112 CG GLN A 70 -3.502 11.647 12.266 1.00 1.88 C ATOM 1113 CD GLN A 70 -4.708 11.411 13.169 1.00 2.52 C ATOM 1114 OE1 GLN A 70 -5.186 10.300 13.330 1.00 2.84 O ATOM 1115 NE2 GLN A 70 -5.308 12.440 13.726 1.00 3.48 N ATOM 0 H GLN A 70 -2.012 13.622 11.401 1.00 1.75 H new ATOM 0 HA GLN A 70 -2.268 11.515 9.728 1.00 1.75 H new ATOM 0 HB2 GLN A 70 -4.489 13.133 11.074 1.00 2.28 H new ATOM 0 HB3 GLN A 70 -4.684 11.495 10.482 1.00 2.28 H new ATOM 0 HG2 GLN A 70 -2.954 10.715 12.125 1.00 1.88 H new ATOM 0 HG3 GLN A 70 -2.817 12.352 12.737 1.00 1.88 H new ATOM 0 HE21 GLN A 70 -4.927 13.379 13.606 1.00 3.48 H new ATOM 0 HE22 GLN A 70 -6.154 12.299 14.278 1.00 3.48 H new ATOM 1124 N GLU A 71 -3.874 14.140 8.457 1.00 1.79 N ATOM 1125 CA GLU A 71 -4.530 14.761 7.301 1.00 1.86 C ATOM 1126 C GLU A 71 -3.899 14.395 5.951 1.00 1.87 C ATOM 1127 O GLU A 71 -4.625 14.201 4.971 1.00 2.18 O ATOM 1128 CB GLU A 71 -4.541 16.289 7.499 1.00 1.97 C ATOM 1129 CG GLU A 71 -3.145 16.935 7.375 1.00 2.74 C ATOM 1130 CD GLU A 71 -3.007 18.228 8.167 1.00 2.51 C ATOM 1131 OE1 GLU A 71 -4.015 18.939 8.385 1.00 2.89 O ATOM 1132 OE2 GLU A 71 -1.868 18.565 8.573 1.00 3.21 O ATOM 0 H GLU A 71 -3.730 14.804 9.218 1.00 1.79 H new ATOM 0 HA GLU A 71 -5.546 14.367 7.257 1.00 1.86 H new ATOM 0 HB2 GLU A 71 -5.207 16.738 6.763 1.00 1.97 H new ATOM 0 HB3 GLU A 71 -4.952 16.517 8.482 1.00 1.97 H new ATOM 0 HG2 GLU A 71 -2.392 16.225 7.718 1.00 2.74 H new ATOM 0 HG3 GLU A 71 -2.938 17.137 6.324 1.00 2.74 H new ATOM 1139 N ARG A 72 -2.568 14.228 5.902 1.00 1.37 N ATOM 1140 CA ARG A 72 -1.855 13.807 4.711 1.00 1.27 C ATOM 1141 C ARG A 72 -1.226 12.416 4.794 1.00 1.32 C ATOM 1142 O ARG A 72 -0.692 12.016 3.776 1.00 1.61 O ATOM 1143 CB ARG A 72 -0.862 14.860 4.265 1.00 1.60 C ATOM 1144 CG ARG A 72 0.308 15.056 5.234 1.00 1.40 C ATOM 1145 CD ARG A 72 0.471 16.551 5.435 1.00 1.63 C ATOM 1146 NE ARG A 72 1.131 17.187 4.275 1.00 2.47 N ATOM 1147 CZ ARG A 72 0.517 17.843 3.303 1.00 3.47 C ATOM 1148 NH1 ARG A 72 -0.740 18.219 3.386 1.00 4.27 N ATOM 1149 NH2 ARG A 72 1.160 18.102 2.192 1.00 4.47 N ATOM 0 H ARG A 72 -1.959 14.387 6.705 1.00 1.37 H new ATOM 0 HA ARG A 72 -2.619 13.707 3.940 1.00 1.27 H new ATOM 0 HB2 ARG A 72 -0.469 14.584 3.286 1.00 1.60 H new ATOM 0 HB3 ARG A 72 -1.383 15.809 4.143 1.00 1.60 H new ATOM 0 HG2 ARG A 72 0.110 14.558 6.183 1.00 1.40 H new ATOM 0 HG3 ARG A 72 1.221 14.619 4.830 1.00 1.40 H new ATOM 0 HD2 ARG A 72 -0.507 17.006 5.593 1.00 1.63 H new ATOM 0 HD3 ARG A 72 1.058 16.736 6.335 1.00 1.63 H new ATOM 0 HE ARG A 72 2.147 17.114 4.219 1.00 2.47 H new ATOM 0 HH11 ARG A 72 -1.282 18.007 4.224 1.00 4.27 H new ATOM 0 HH12 ARG A 72 -1.174 18.723 2.612 1.00 4.27 H new ATOM 0 HH21 ARG A 72 2.127 17.799 2.080 1.00 4.47 H new ATOM 0 HH22 ARG A 72 0.693 18.607 1.439 1.00 4.47 H new ATOM 1163 N VAL A 73 -1.280 11.655 5.888 1.00 0.85 N ATOM 1164 CA VAL A 73 -0.608 10.338 5.957 1.00 0.94 C ATOM 1165 C VAL A 73 -1.640 9.224 6.085 1.00 1.24 C ATOM 1166 O VAL A 73 -2.362 9.163 7.077 1.00 1.55 O ATOM 1167 CB VAL A 73 0.426 10.270 7.100 1.00 1.24 C ATOM 1168 CG1 VAL A 73 1.120 8.896 7.151 1.00 1.49 C ATOM 1169 CG2 VAL A 73 1.507 11.349 6.902 1.00 2.42 C ATOM 0 H VAL A 73 -1.777 11.918 6.739 1.00 0.85 H new ATOM 0 HA VAL A 73 -0.057 10.201 5.027 1.00 0.94 H new ATOM 0 HB VAL A 73 -0.112 10.435 8.033 1.00 1.24 H new ATOM 0 HG11 VAL A 73 1.842 8.883 7.968 1.00 1.49 H new ATOM 0 HG12 VAL A 73 0.374 8.118 7.313 1.00 1.49 H new ATOM 0 HG13 VAL A 73 1.636 8.714 6.208 1.00 1.49 H new ATOM 0 HG21 VAL A 73 2.231 11.292 7.714 1.00 2.42 H new ATOM 0 HG22 VAL A 73 2.014 11.186 5.951 1.00 2.42 H new ATOM 0 HG23 VAL A 73 1.041 12.335 6.900 1.00 2.42 H new ATOM 1179 N GLN A 74 -1.724 8.341 5.083 1.00 1.08 N ATOM 1180 CA GLN A 74 -2.654 7.200 5.120 1.00 1.24 C ATOM 1181 C GLN A 74 -2.067 5.914 4.510 1.00 1.43 C ATOM 1182 O GLN A 74 -1.288 5.976 3.566 1.00 1.51 O ATOM 1183 CB GLN A 74 -3.963 7.627 4.438 1.00 1.31 C ATOM 1184 CG GLN A 74 -5.095 6.599 4.598 1.00 2.41 C ATOM 1185 CD GLN A 74 -6.460 7.136 4.166 1.00 2.48 C ATOM 1186 OE1 GLN A 74 -6.597 8.204 3.584 1.00 2.63 O ATOM 1187 NE2 GLN A 74 -7.525 6.424 4.459 1.00 3.55 N ATOM 0 H GLN A 74 -1.160 8.393 4.235 1.00 1.08 H new ATOM 0 HA GLN A 74 -2.848 6.938 6.160 1.00 1.24 H new ATOM 0 HB2 GLN A 74 -4.287 8.581 4.854 1.00 1.31 H new ATOM 0 HB3 GLN A 74 -3.776 7.789 3.376 1.00 1.31 H new ATOM 0 HG2 GLN A 74 -4.858 5.712 4.010 1.00 2.41 H new ATOM 0 HG3 GLN A 74 -5.148 6.286 5.641 1.00 2.41 H new ATOM 0 HE21 GLN A 74 -7.425 5.532 4.944 1.00 3.55 H new ATOM 0 HE22 GLN A 74 -8.452 6.763 4.202 1.00 3.55 H new ATOM 1196 N VAL A 75 -2.472 4.744 5.021 1.00 1.30 N ATOM 1197 CA VAL A 75 -2.094 3.422 4.478 1.00 1.16 C ATOM 1198 C VAL A 75 -3.235 2.864 3.634 1.00 1.07 C ATOM 1199 O VAL A 75 -4.391 2.867 4.072 1.00 1.24 O ATOM 1200 CB VAL A 75 -1.781 2.409 5.599 1.00 1.15 C ATOM 1201 CG1 VAL A 75 -1.428 1.003 5.081 1.00 1.14 C ATOM 1202 CG2 VAL A 75 -0.638 2.920 6.486 1.00 1.49 C ATOM 0 H VAL A 75 -3.082 4.683 5.837 1.00 1.30 H new ATOM 0 HA VAL A 75 -1.198 3.565 3.874 1.00 1.16 H new ATOM 0 HB VAL A 75 -2.701 2.318 6.177 1.00 1.15 H new ATOM 0 HG11 VAL A 75 -1.220 0.346 5.925 1.00 1.14 H new ATOM 0 HG12 VAL A 75 -2.266 0.605 4.509 1.00 1.14 H new ATOM 0 HG13 VAL A 75 -0.547 1.061 4.441 1.00 1.14 H new ATOM 0 HG21 VAL A 75 -0.433 2.191 7.270 1.00 1.49 H new ATOM 0 HG22 VAL A 75 0.257 3.063 5.880 1.00 1.49 H new ATOM 0 HG23 VAL A 75 -0.925 3.869 6.939 1.00 1.49 H new ATOM 1212 N ILE A 76 -2.902 2.351 2.448 1.00 0.95 N ATOM 1213 CA ILE A 76 -3.864 1.735 1.529 1.00 0.84 C ATOM 1214 C ILE A 76 -3.336 0.378 1.048 1.00 0.92 C ATOM 1215 O ILE A 76 -2.264 0.272 0.448 1.00 1.12 O ATOM 1216 CB ILE A 76 -4.209 2.706 0.380 1.00 0.85 C ATOM 1217 CG1 ILE A 76 -4.823 3.999 0.981 1.00 1.36 C ATOM 1218 CG2 ILE A 76 -5.176 2.034 -0.607 1.00 0.85 C ATOM 1219 CD1 ILE A 76 -5.480 4.953 -0.016 1.00 1.35 C ATOM 0 H ILE A 76 -1.946 2.351 2.094 1.00 0.95 H new ATOM 0 HA ILE A 76 -4.801 1.537 2.049 1.00 0.84 H new ATOM 0 HB ILE A 76 -3.306 2.969 -0.171 1.00 0.85 H new ATOM 0 HG12 ILE A 76 -5.567 3.713 1.725 1.00 1.36 H new ATOM 0 HG13 ILE A 76 -4.037 4.540 1.508 1.00 1.36 H new ATOM 0 HG21 ILE A 76 -5.413 2.728 -1.414 1.00 0.85 H new ATOM 0 HG22 ILE A 76 -4.710 1.141 -1.022 1.00 0.85 H new ATOM 0 HG23 ILE A 76 -6.093 1.756 -0.086 1.00 0.85 H new ATOM 0 HD11 ILE A 76 -5.874 5.820 0.515 1.00 1.35 H new ATOM 0 HD12 ILE A 76 -4.741 5.280 -0.748 1.00 1.35 H new ATOM 0 HD13 ILE A 76 -6.295 4.440 -0.528 1.00 1.35 H new ATOM 1231 N PHE A 77 -4.119 -0.662 1.320 1.00 0.72 N ATOM 1232 CA PHE A 77 -3.841 -2.033 0.940 1.00 0.70 C ATOM 1233 C PHE A 77 -4.636 -2.370 -0.326 1.00 1.39 C ATOM 1234 O PHE A 77 -5.863 -2.302 -0.311 1.00 1.74 O ATOM 1235 CB PHE A 77 -4.241 -2.926 2.129 1.00 0.75 C ATOM 1236 CG PHE A 77 -3.940 -4.400 1.957 1.00 0.93 C ATOM 1237 CD1 PHE A 77 -2.603 -4.832 1.897 1.00 2.38 C ATOM 1238 CD2 PHE A 77 -4.984 -5.345 1.909 1.00 1.47 C ATOM 1239 CE1 PHE A 77 -2.305 -6.199 1.804 1.00 2.33 C ATOM 1240 CE2 PHE A 77 -4.685 -6.716 1.806 1.00 1.54 C ATOM 1241 CZ PHE A 77 -3.346 -7.143 1.750 1.00 1.29 C ATOM 0 H PHE A 77 -4.996 -0.563 1.831 1.00 0.72 H new ATOM 0 HA PHE A 77 -2.787 -2.192 0.714 1.00 0.70 H new ATOM 0 HB2 PHE A 77 -3.727 -2.568 3.021 1.00 0.75 H new ATOM 0 HB3 PHE A 77 -5.310 -2.808 2.308 1.00 0.75 H new ATOM 0 HD1 PHE A 77 -1.802 -4.108 1.923 1.00 2.38 H new ATOM 0 HD2 PHE A 77 -6.012 -5.017 1.951 1.00 1.47 H new ATOM 0 HE1 PHE A 77 -1.276 -6.527 1.774 1.00 2.33 H new ATOM 0 HE2 PHE A 77 -5.484 -7.441 1.770 1.00 1.54 H new ATOM 0 HZ PHE A 77 -3.117 -8.195 1.666 1.00 1.29 H new ATOM 1251 N VAL A 78 -3.945 -2.755 -1.397 1.00 0.60 N ATOM 1252 CA VAL A 78 -4.579 -3.334 -2.588 1.00 0.57 C ATOM 1253 C VAL A 78 -4.443 -4.845 -2.446 1.00 0.93 C ATOM 1254 O VAL A 78 -3.319 -5.351 -2.358 1.00 1.12 O ATOM 1255 CB VAL A 78 -3.948 -2.823 -3.906 1.00 0.64 C ATOM 1256 CG1 VAL A 78 -4.522 -3.532 -5.145 1.00 1.15 C ATOM 1257 CG2 VAL A 78 -4.197 -1.309 -4.055 1.00 0.98 C ATOM 0 H VAL A 78 -2.930 -2.676 -1.467 1.00 0.60 H new ATOM 0 HA VAL A 78 -5.625 -3.033 -2.648 1.00 0.57 H new ATOM 0 HB VAL A 78 -2.881 -3.039 -3.849 1.00 0.64 H new ATOM 0 HG11 VAL A 78 -4.047 -3.137 -6.043 1.00 1.15 H new ATOM 0 HG12 VAL A 78 -4.330 -4.603 -5.073 1.00 1.15 H new ATOM 0 HG13 VAL A 78 -5.597 -3.359 -5.198 1.00 1.15 H new ATOM 0 HG21 VAL A 78 -3.750 -0.957 -4.985 1.00 0.98 H new ATOM 0 HG22 VAL A 78 -5.270 -1.117 -4.072 1.00 0.98 H new ATOM 0 HG23 VAL A 78 -3.747 -0.782 -3.214 1.00 0.98 H new ATOM 1267 N SER A 79 -5.575 -5.553 -2.377 1.00 0.81 N ATOM 1268 CA SER A 79 -5.539 -7.012 -2.325 1.00 1.05 C ATOM 1269 C SER A 79 -5.528 -7.633 -3.731 1.00 1.02 C ATOM 1270 O SER A 79 -6.249 -7.215 -4.638 1.00 1.44 O ATOM 1271 CB SER A 79 -6.555 -7.616 -1.354 1.00 1.97 C ATOM 1272 OG SER A 79 -7.898 -7.531 -1.766 1.00 2.19 O ATOM 0 H SER A 79 -6.510 -5.146 -2.356 1.00 0.81 H new ATOM 0 HA SER A 79 -4.583 -7.293 -1.883 1.00 1.05 H new ATOM 0 HB2 SER A 79 -6.305 -8.665 -1.197 1.00 1.97 H new ATOM 0 HB3 SER A 79 -6.454 -7.117 -0.390 1.00 1.97 H new ATOM 0 HG SER A 79 -8.435 -8.181 -1.267 1.00 2.19 H new ATOM 1278 N VAL A 80 -4.630 -8.601 -3.927 1.00 0.89 N ATOM 1279 CA VAL A 80 -4.152 -9.055 -5.246 1.00 0.81 C ATOM 1280 C VAL A 80 -4.689 -10.459 -5.508 1.00 1.48 C ATOM 1281 O VAL A 80 -3.948 -11.422 -5.671 1.00 2.50 O ATOM 1282 CB VAL A 80 -2.611 -8.948 -5.395 1.00 0.78 C ATOM 1283 CG1 VAL A 80 -2.164 -9.173 -6.856 1.00 1.97 C ATOM 1284 CG2 VAL A 80 -2.101 -7.549 -5.002 1.00 2.22 C ATOM 0 H VAL A 80 -4.200 -9.109 -3.154 1.00 0.89 H new ATOM 0 HA VAL A 80 -4.541 -8.388 -6.015 1.00 0.81 H new ATOM 0 HB VAL A 80 -2.200 -9.714 -4.738 1.00 0.78 H new ATOM 0 HG11 VAL A 80 -1.079 -9.091 -6.921 1.00 1.97 H new ATOM 0 HG12 VAL A 80 -2.473 -10.166 -7.182 1.00 1.97 H new ATOM 0 HG13 VAL A 80 -2.624 -8.421 -7.497 1.00 1.97 H new ATOM 0 HG21 VAL A 80 -1.018 -7.511 -5.119 1.00 2.22 H new ATOM 0 HG22 VAL A 80 -2.562 -6.800 -5.645 1.00 2.22 H new ATOM 0 HG23 VAL A 80 -2.362 -7.345 -3.963 1.00 2.22 H new ATOM 1294 N ASP A 81 -6.016 -10.543 -5.499 1.00 0.74 N ATOM 1295 CA ASP A 81 -6.811 -11.703 -5.903 1.00 0.81 C ATOM 1296 C ASP A 81 -8.263 -11.243 -6.160 1.00 1.01 C ATOM 1297 O ASP A 81 -9.069 -11.184 -5.230 1.00 1.42 O ATOM 1298 CB ASP A 81 -6.734 -12.850 -4.874 1.00 1.12 C ATOM 1299 CG ASP A 81 -7.436 -14.128 -5.347 1.00 1.79 C ATOM 1300 OD1 ASP A 81 -8.217 -14.046 -6.324 1.00 2.72 O ATOM 1301 OD2 ASP A 81 -7.192 -15.186 -4.721 1.00 2.50 O ATOM 0 H ASP A 81 -6.599 -9.763 -5.194 1.00 0.74 H new ATOM 0 HA ASP A 81 -6.400 -12.115 -6.825 1.00 0.81 H new ATOM 0 HB2 ASP A 81 -5.688 -13.073 -4.665 1.00 1.12 H new ATOM 0 HB3 ASP A 81 -7.183 -12.521 -3.937 1.00 1.12 H new ATOM 1306 N PRO A 82 -8.620 -10.910 -7.416 1.00 0.94 N ATOM 1307 CA PRO A 82 -9.972 -10.493 -7.787 1.00 1.26 C ATOM 1308 C PRO A 82 -10.954 -11.671 -7.937 1.00 1.44 C ATOM 1309 O PRO A 82 -12.111 -11.448 -8.294 1.00 2.08 O ATOM 1310 CB PRO A 82 -9.789 -9.723 -9.097 1.00 1.71 C ATOM 1311 CG PRO A 82 -8.604 -10.433 -9.749 1.00 1.65 C ATOM 1312 CD PRO A 82 -7.726 -10.815 -8.563 1.00 1.24 C ATOM 0 HA PRO A 82 -10.426 -9.883 -7.006 1.00 1.26 H new ATOM 0 HB2 PRO A 82 -10.681 -9.770 -9.721 1.00 1.71 H new ATOM 0 HB3 PRO A 82 -9.580 -8.668 -8.919 1.00 1.71 H new ATOM 0 HG2 PRO A 82 -8.922 -11.310 -10.313 1.00 1.65 H new ATOM 0 HG3 PRO A 82 -8.078 -9.780 -10.445 1.00 1.65 H new ATOM 0 HD2 PRO A 82 -7.219 -11.763 -8.742 1.00 1.24 H new ATOM 0 HD3 PRO A 82 -6.952 -10.067 -8.393 1.00 1.24 H new ATOM 1320 N GLU A 83 -10.520 -12.911 -7.676 1.00 1.03 N ATOM 1321 CA GLU A 83 -11.370 -14.108 -7.645 1.00 1.15 C ATOM 1322 C GLU A 83 -11.663 -14.564 -6.204 1.00 1.25 C ATOM 1323 O GLU A 83 -12.409 -15.530 -6.024 1.00 1.69 O ATOM 1324 CB GLU A 83 -10.700 -15.234 -8.461 1.00 1.26 C ATOM 1325 CG GLU A 83 -10.838 -14.976 -9.967 1.00 1.77 C ATOM 1326 CD GLU A 83 -9.865 -15.815 -10.791 1.00 2.16 C ATOM 1327 OE1 GLU A 83 -10.171 -16.976 -11.150 1.00 2.83 O ATOM 1328 OE2 GLU A 83 -8.805 -15.275 -11.180 1.00 2.82 O ATOM 0 H GLU A 83 -9.541 -13.115 -7.475 1.00 1.03 H new ATOM 0 HA GLU A 83 -12.331 -13.862 -8.096 1.00 1.15 H new ATOM 0 HB2 GLU A 83 -9.645 -15.303 -8.195 1.00 1.26 H new ATOM 0 HB3 GLU A 83 -11.156 -16.192 -8.209 1.00 1.26 H new ATOM 0 HG2 GLU A 83 -11.859 -15.197 -10.279 1.00 1.77 H new ATOM 0 HG3 GLU A 83 -10.664 -13.919 -10.170 1.00 1.77 H new ATOM 1335 N ARG A 84 -11.105 -13.886 -5.180 1.00 0.92 N ATOM 1336 CA ARG A 84 -11.145 -14.388 -3.800 1.00 0.99 C ATOM 1337 C ARG A 84 -10.904 -13.381 -2.670 1.00 1.20 C ATOM 1338 O ARG A 84 -11.311 -13.671 -1.548 1.00 1.42 O ATOM 1339 CB ARG A 84 -10.119 -15.524 -3.661 1.00 1.19 C ATOM 1340 CG ARG A 84 -10.710 -16.722 -2.920 1.00 1.73 C ATOM 1341 CD ARG A 84 -9.619 -17.773 -2.743 1.00 2.14 C ATOM 1342 NE ARG A 84 -10.165 -19.002 -2.142 1.00 2.84 N ATOM 1343 CZ ARG A 84 -10.271 -20.180 -2.741 1.00 3.71 C ATOM 1344 NH1 ARG A 84 -10.003 -20.366 -4.008 1.00 4.38 N ATOM 1345 NH2 ARG A 84 -10.634 -21.224 -2.045 1.00 4.75 N ATOM 0 H ARG A 84 -10.624 -12.993 -5.287 1.00 0.92 H new ATOM 0 HA ARG A 84 -12.180 -14.703 -3.664 1.00 0.99 H new ATOM 0 HB2 ARG A 84 -9.783 -15.836 -4.650 1.00 1.19 H new ATOM 0 HB3 ARG A 84 -9.242 -15.160 -3.126 1.00 1.19 H new ATOM 0 HG2 ARG A 84 -11.098 -16.412 -1.949 1.00 1.73 H new ATOM 0 HG3 ARG A 84 -11.548 -17.137 -3.480 1.00 1.73 H new ATOM 0 HD2 ARG A 84 -9.171 -18.004 -3.709 1.00 2.14 H new ATOM 0 HD3 ARG A 84 -8.825 -17.376 -2.110 1.00 2.14 H new ATOM 0 HE ARG A 84 -10.491 -18.941 -1.177 1.00 2.84 H new ATOM 0 HH11 ARG A 84 -9.696 -19.583 -4.585 1.00 4.38 H new ATOM 0 HH12 ARG A 84 -10.101 -21.294 -4.419 1.00 4.38 H new ATOM 0 HH21 ARG A 84 -10.833 -21.129 -1.049 1.00 4.75 H new ATOM 0 HH22 ARG A 84 -10.718 -22.134 -2.497 1.00 4.75 H new ATOM 1359 N ASP A 85 -10.272 -12.233 -2.912 1.00 0.78 N ATOM 1360 CA ASP A 85 -10.040 -11.188 -1.904 1.00 0.78 C ATOM 1361 C ASP A 85 -10.951 -9.972 -2.180 1.00 1.00 C ATOM 1362 O ASP A 85 -10.535 -9.038 -2.866 1.00 1.23 O ATOM 1363 CB ASP A 85 -8.545 -10.805 -1.862 1.00 0.91 C ATOM 1364 CG ASP A 85 -8.129 -10.336 -0.480 1.00 1.19 C ATOM 1365 OD1 ASP A 85 -8.775 -9.411 0.055 1.00 2.25 O ATOM 1366 OD2 ASP A 85 -7.103 -10.855 0.019 1.00 1.93 O ATOM 0 H ASP A 85 -9.898 -11.995 -3.831 1.00 0.78 H new ATOM 0 HA ASP A 85 -10.300 -11.571 -0.917 1.00 0.78 H new ATOM 0 HB2 ASP A 85 -7.940 -11.664 -2.153 1.00 0.91 H new ATOM 0 HB3 ASP A 85 -8.350 -10.017 -2.589 1.00 0.91 H new ATOM 1371 N PRO A 86 -12.219 -9.971 -1.719 1.00 0.72 N ATOM 1372 CA PRO A 86 -13.158 -8.886 -1.991 1.00 0.89 C ATOM 1373 C PRO A 86 -12.862 -7.659 -1.110 1.00 1.09 C ATOM 1374 O PRO A 86 -12.350 -7.826 0.002 1.00 0.93 O ATOM 1375 CB PRO A 86 -14.547 -9.470 -1.716 1.00 0.91 C ATOM 1376 CG PRO A 86 -14.268 -10.494 -0.621 1.00 0.83 C ATOM 1377 CD PRO A 86 -12.899 -11.047 -1.010 1.00 0.72 C ATOM 0 HA PRO A 86 -13.080 -8.528 -3.018 1.00 0.89 H new ATOM 0 HB2 PRO A 86 -15.250 -8.705 -1.386 1.00 0.91 H new ATOM 0 HB3 PRO A 86 -14.975 -9.934 -2.605 1.00 0.91 H new ATOM 0 HG2 PRO A 86 -14.252 -10.034 0.367 1.00 0.83 H new ATOM 0 HG3 PRO A 86 -15.027 -11.276 -0.596 1.00 0.83 H new ATOM 0 HD2 PRO A 86 -12.335 -11.350 -0.128 1.00 0.72 H new ATOM 0 HD3 PRO A 86 -13.000 -11.929 -1.643 1.00 0.72 H new ATOM 1385 N PRO A 87 -13.232 -6.439 -1.564 1.00 0.76 N ATOM 1386 CA PRO A 87 -12.847 -5.168 -0.943 1.00 0.91 C ATOM 1387 C PRO A 87 -13.172 -5.066 0.545 1.00 1.15 C ATOM 1388 O PRO A 87 -12.362 -4.530 1.295 1.00 1.05 O ATOM 1389 CB PRO A 87 -13.566 -4.065 -1.730 1.00 0.93 C ATOM 1390 CG PRO A 87 -14.582 -4.790 -2.608 1.00 0.91 C ATOM 1391 CD PRO A 87 -13.984 -6.179 -2.783 1.00 0.83 C ATOM 0 HA PRO A 87 -11.762 -5.075 -0.987 1.00 0.91 H new ATOM 0 HB2 PRO A 87 -14.058 -3.361 -1.059 1.00 0.93 H new ATOM 0 HB3 PRO A 87 -12.863 -3.491 -2.334 1.00 0.93 H new ATOM 0 HG2 PRO A 87 -15.562 -4.833 -2.133 1.00 0.91 H new ATOM 0 HG3 PRO A 87 -14.714 -4.287 -3.566 1.00 0.91 H new ATOM 0 HD2 PRO A 87 -14.764 -6.926 -2.929 1.00 0.83 H new ATOM 0 HD3 PRO A 87 -13.337 -6.219 -3.659 1.00 0.83 H new ATOM 1399 N GLU A 88 -14.311 -5.612 0.991 1.00 0.79 N ATOM 1400 CA GLU A 88 -14.628 -5.675 2.419 1.00 0.91 C ATOM 1401 C GLU A 88 -13.616 -6.507 3.208 1.00 1.29 C ATOM 1402 O GLU A 88 -13.170 -6.063 4.255 1.00 1.59 O ATOM 1403 CB GLU A 88 -16.010 -6.293 2.646 1.00 1.08 C ATOM 1404 CG GLU A 88 -17.158 -5.350 2.294 1.00 1.27 C ATOM 1405 CD GLU A 88 -18.445 -5.993 2.785 1.00 1.90 C ATOM 1406 OE1 GLU A 88 -18.724 -5.826 3.993 1.00 2.69 O ATOM 1407 OE2 GLU A 88 -19.063 -6.708 1.966 1.00 2.84 O ATOM 0 H GLU A 88 -15.025 -6.015 0.384 1.00 0.79 H new ATOM 0 HA GLU A 88 -14.600 -4.645 2.773 1.00 0.91 H new ATOM 0 HB2 GLU A 88 -16.098 -7.200 2.048 1.00 1.08 H new ATOM 0 HB3 GLU A 88 -16.100 -6.590 3.691 1.00 1.08 H new ATOM 0 HG2 GLU A 88 -17.012 -4.377 2.763 1.00 1.27 H new ATOM 0 HG3 GLU A 88 -17.200 -5.182 1.218 1.00 1.27 H new ATOM 1414 N VAL A 89 -13.262 -7.712 2.758 1.00 0.82 N ATOM 1415 CA VAL A 89 -12.419 -8.643 3.539 1.00 0.78 C ATOM 1416 C VAL A 89 -10.972 -8.139 3.595 1.00 1.02 C ATOM 1417 O VAL A 89 -10.347 -8.192 4.656 1.00 0.96 O ATOM 1418 CB VAL A 89 -12.507 -10.086 3.002 1.00 0.72 C ATOM 1419 CG1 VAL A 89 -11.615 -11.068 3.786 1.00 0.84 C ATOM 1420 CG2 VAL A 89 -13.953 -10.607 3.106 1.00 0.92 C ATOM 0 H VAL A 89 -13.545 -8.076 1.848 1.00 0.82 H new ATOM 0 HA VAL A 89 -12.803 -8.670 4.559 1.00 0.78 H new ATOM 0 HB VAL A 89 -12.168 -10.041 1.967 1.00 0.72 H new ATOM 0 HG11 VAL A 89 -11.717 -12.068 3.364 1.00 0.84 H new ATOM 0 HG12 VAL A 89 -10.575 -10.749 3.717 1.00 0.84 H new ATOM 0 HG13 VAL A 89 -11.921 -11.082 4.832 1.00 0.84 H new ATOM 0 HG21 VAL A 89 -14.001 -11.627 2.724 1.00 0.92 H new ATOM 0 HG22 VAL A 89 -14.270 -10.595 4.149 1.00 0.92 H new ATOM 0 HG23 VAL A 89 -14.613 -9.968 2.519 1.00 0.92 H new ATOM 1430 N ALA A 90 -10.483 -7.570 2.487 1.00 0.83 N ATOM 1431 CA ALA A 90 -9.235 -6.806 2.430 1.00 0.86 C ATOM 1432 C ALA A 90 -9.198 -5.669 3.470 1.00 1.09 C ATOM 1433 O ALA A 90 -8.219 -5.507 4.196 1.00 1.25 O ATOM 1434 CB ALA A 90 -9.122 -6.256 0.999 1.00 0.78 C ATOM 0 H ALA A 90 -10.956 -7.630 1.585 1.00 0.83 H new ATOM 0 HA ALA A 90 -8.389 -7.449 2.673 1.00 0.86 H new ATOM 0 HB1 ALA A 90 -8.204 -5.676 0.904 1.00 0.78 H new ATOM 0 HB2 ALA A 90 -9.103 -7.085 0.291 1.00 0.78 H new ATOM 0 HB3 ALA A 90 -9.979 -5.617 0.786 1.00 0.78 H new ATOM 1440 N ASP A 91 -10.289 -4.899 3.564 1.00 0.94 N ATOM 1441 CA ASP A 91 -10.444 -3.760 4.475 1.00 0.98 C ATOM 1442 C ASP A 91 -10.579 -4.180 5.944 1.00 1.26 C ATOM 1443 O ASP A 91 -9.862 -3.637 6.778 1.00 1.38 O ATOM 1444 CB ASP A 91 -11.635 -2.902 4.024 1.00 1.00 C ATOM 1445 CG ASP A 91 -11.788 -1.642 4.873 1.00 1.09 C ATOM 1446 OD1 ASP A 91 -11.039 -0.664 4.633 1.00 1.97 O ATOM 1447 OD2 ASP A 91 -12.630 -1.628 5.797 1.00 1.67 O ATOM 0 H ASP A 91 -11.116 -5.058 2.988 1.00 0.94 H new ATOM 0 HA ASP A 91 -9.531 -3.167 4.423 1.00 0.98 H new ATOM 0 HB2 ASP A 91 -11.504 -2.621 2.979 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -12.550 -3.492 4.083 1.00 1.00 H new ATOM 1452 N ARG A 92 -11.432 -5.163 6.270 1.00 0.86 N ATOM 1453 CA ARG A 92 -11.619 -5.704 7.630 1.00 0.84 C ATOM 1454 C ARG A 92 -10.275 -6.077 8.264 1.00 1.32 C ATOM 1455 O ARG A 92 -10.027 -5.784 9.431 1.00 1.60 O ATOM 1456 CB ARG A 92 -12.497 -6.973 7.594 1.00 0.94 C ATOM 1457 CG ARG A 92 -13.888 -6.791 6.966 1.00 0.97 C ATOM 1458 CD ARG A 92 -15.073 -6.971 7.912 1.00 1.25 C ATOM 1459 NE ARG A 92 -15.128 -5.861 8.873 1.00 2.60 N ATOM 1460 CZ ARG A 92 -16.070 -5.641 9.776 1.00 3.62 C ATOM 1461 NH1 ARG A 92 -17.138 -6.412 9.897 1.00 3.51 N ATOM 1462 NH2 ARG A 92 -15.926 -4.608 10.579 1.00 5.25 N ATOM 0 H ARG A 92 -12.028 -5.618 5.578 1.00 0.86 H new ATOM 0 HA ARG A 92 -12.103 -4.926 8.221 1.00 0.84 H new ATOM 0 HB2 ARG A 92 -11.965 -7.747 7.041 1.00 0.94 H new ATOM 0 HB3 ARG A 92 -12.622 -7.338 8.614 1.00 0.94 H new ATOM 0 HG2 ARG A 92 -13.942 -5.793 6.532 1.00 0.97 H new ATOM 0 HG3 ARG A 92 -13.991 -7.501 6.146 1.00 0.97 H new ATOM 0 HD2 ARG A 92 -16.000 -7.014 7.341 1.00 1.25 H new ATOM 0 HD3 ARG A 92 -14.983 -7.918 8.444 1.00 1.25 H new ATOM 0 HE ARG A 92 -14.360 -5.190 8.841 1.00 2.60 H new ATOM 0 HH11 ARG A 92 -17.260 -7.214 9.279 1.00 3.51 H new ATOM 0 HH12 ARG A 92 -17.839 -6.204 10.608 1.00 3.51 H new ATOM 0 HH21 ARG A 92 -15.107 -4.006 10.494 1.00 5.25 H new ATOM 0 HH22 ARG A 92 -16.633 -4.409 11.286 1.00 5.25 H new ATOM 1476 N TYR A 93 -9.418 -6.717 7.473 1.00 0.86 N ATOM 1477 CA TYR A 93 -8.067 -7.127 7.858 1.00 0.90 C ATOM 1478 C TYR A 93 -7.163 -5.932 8.223 1.00 1.21 C ATOM 1479 O TYR A 93 -6.596 -5.899 9.315 1.00 1.43 O ATOM 1480 CB TYR A 93 -7.497 -7.943 6.690 1.00 0.86 C ATOM 1481 CG TYR A 93 -6.167 -8.648 6.890 1.00 1.20 C ATOM 1482 CD1 TYR A 93 -5.816 -9.211 8.134 1.00 2.08 C ATOM 1483 CD2 TYR A 93 -5.346 -8.867 5.767 1.00 2.31 C ATOM 1484 CE1 TYR A 93 -4.695 -10.056 8.235 1.00 2.20 C ATOM 1485 CE2 TYR A 93 -4.227 -9.715 5.863 1.00 2.65 C ATOM 1486 CZ TYR A 93 -3.936 -10.354 7.085 1.00 1.88 C ATOM 1487 OH TYR A 93 -2.978 -11.318 7.138 1.00 2.40 O ATOM 0 H TYR A 93 -9.651 -6.974 6.514 1.00 0.86 H new ATOM 0 HA TYR A 93 -8.107 -7.730 8.765 1.00 0.90 H new ATOM 0 HB2 TYR A 93 -8.236 -8.697 6.418 1.00 0.86 H new ATOM 0 HB3 TYR A 93 -7.394 -7.274 5.835 1.00 0.86 H new ATOM 0 HD1 TYR A 93 -6.408 -8.994 9.011 1.00 2.08 H new ATOM 0 HD2 TYR A 93 -5.576 -8.383 4.829 1.00 2.31 H new ATOM 0 HE1 TYR A 93 -4.417 -10.475 9.191 1.00 2.20 H new ATOM 0 HE2 TYR A 93 -3.593 -9.876 5.003 1.00 2.65 H new ATOM 0 HH TYR A 93 -3.101 -11.942 6.393 1.00 2.40 H new ATOM 1497 N ALA A 94 -7.076 -4.922 7.351 1.00 1.00 N ATOM 1498 CA ALA A 94 -6.310 -3.701 7.602 1.00 1.11 C ATOM 1499 C ALA A 94 -6.873 -2.897 8.796 1.00 1.22 C ATOM 1500 O ALA A 94 -6.113 -2.420 9.640 1.00 1.27 O ATOM 1501 CB ALA A 94 -6.293 -2.892 6.299 1.00 1.25 C ATOM 0 H ALA A 94 -7.541 -4.931 6.443 1.00 1.00 H new ATOM 0 HA ALA A 94 -5.289 -3.949 7.892 1.00 1.11 H new ATOM 0 HB1 ALA A 94 -5.729 -1.972 6.449 1.00 1.25 H new ATOM 0 HB2 ALA A 94 -5.823 -3.481 5.511 1.00 1.25 H new ATOM 0 HB3 ALA A 94 -7.315 -2.648 6.009 1.00 1.25 H new ATOM 1507 N LYS A 95 -8.203 -2.819 8.911 1.00 1.01 N ATOM 1508 CA LYS A 95 -8.924 -2.174 10.014 1.00 1.03 C ATOM 1509 C LYS A 95 -8.618 -2.821 11.373 1.00 1.27 C ATOM 1510 O LYS A 95 -8.463 -2.107 12.365 1.00 1.49 O ATOM 1511 CB LYS A 95 -10.439 -2.206 9.721 1.00 1.22 C ATOM 1512 CG LYS A 95 -11.192 -0.982 10.270 1.00 1.93 C ATOM 1513 CD LYS A 95 -11.040 0.248 9.357 1.00 1.49 C ATOM 1514 CE LYS A 95 -11.828 0.055 8.056 1.00 1.55 C ATOM 1515 NZ LYS A 95 -11.287 0.845 6.933 1.00 1.69 N ATOM 0 H LYS A 95 -8.830 -3.218 8.213 1.00 1.01 H new ATOM 0 HA LYS A 95 -8.583 -1.141 10.081 1.00 1.03 H new ATOM 0 HB2 LYS A 95 -10.592 -2.265 8.643 1.00 1.22 H new ATOM 0 HB3 LYS A 95 -10.866 -3.111 10.153 1.00 1.22 H new ATOM 0 HG2 LYS A 95 -12.249 -1.225 10.377 1.00 1.93 H new ATOM 0 HG3 LYS A 95 -10.818 -0.743 11.265 1.00 1.93 H new ATOM 0 HD2 LYS A 95 -11.396 1.138 9.875 1.00 1.49 H new ATOM 0 HD3 LYS A 95 -9.986 0.411 9.130 1.00 1.49 H new ATOM 0 HE2 LYS A 95 -11.821 -1.001 7.787 1.00 1.55 H new ATOM 0 HE3 LYS A 95 -12.868 0.335 8.222 1.00 1.55 H new ATOM 0 HZ1 LYS A 95 -11.575 0.411 6.033 1.00 1.69 H new ATOM 0 HZ2 LYS A 95 -11.656 1.816 6.982 1.00 1.69 H new ATOM 0 HZ3 LYS A 95 -10.249 0.865 6.991 1.00 1.69 H new ATOM 1529 N ALA A 96 -8.511 -4.157 11.407 1.00 1.03 N ATOM 1530 CA ALA A 96 -8.161 -4.937 12.600 1.00 1.09 C ATOM 1531 C ALA A 96 -6.730 -4.674 13.098 1.00 1.24 C ATOM 1532 O ALA A 96 -6.475 -4.839 14.287 1.00 1.51 O ATOM 1533 CB ALA A 96 -8.379 -6.422 12.291 1.00 1.08 C ATOM 0 H ALA A 96 -8.670 -4.739 10.584 1.00 1.03 H new ATOM 0 HA ALA A 96 -8.811 -4.622 13.416 1.00 1.09 H new ATOM 0 HB1 ALA A 96 -8.123 -7.017 13.168 1.00 1.08 H new ATOM 0 HB2 ALA A 96 -9.424 -6.590 12.030 1.00 1.08 H new ATOM 0 HB3 ALA A 96 -7.745 -6.717 11.455 1.00 1.08 H new ATOM 1539 N PHE A 97 -5.828 -4.209 12.225 1.00 1.12 N ATOM 1540 CA PHE A 97 -4.558 -3.598 12.629 1.00 1.13 C ATOM 1541 C PHE A 97 -4.706 -2.128 12.997 1.00 1.85 C ATOM 1542 O PHE A 97 -4.143 -1.683 13.997 1.00 2.17 O ATOM 1543 CB PHE A 97 -3.511 -3.782 11.521 1.00 1.23 C ATOM 1544 CG PHE A 97 -2.955 -5.177 11.593 1.00 1.38 C ATOM 1545 CD1 PHE A 97 -2.034 -5.472 12.608 1.00 2.53 C ATOM 1546 CD2 PHE A 97 -3.494 -6.199 10.800 1.00 2.26 C ATOM 1547 CE1 PHE A 97 -1.684 -6.808 12.864 1.00 2.53 C ATOM 1548 CE2 PHE A 97 -3.152 -7.537 11.059 1.00 2.34 C ATOM 1549 CZ PHE A 97 -2.264 -7.840 12.106 1.00 1.59 C ATOM 0 H PHE A 97 -5.960 -4.247 11.214 1.00 1.12 H new ATOM 0 HA PHE A 97 -4.222 -4.110 13.531 1.00 1.13 H new ATOM 0 HB2 PHE A 97 -3.963 -3.608 10.545 1.00 1.23 H new ATOM 0 HB3 PHE A 97 -2.710 -3.052 11.636 1.00 1.23 H new ATOM 0 HD1 PHE A 97 -1.595 -4.675 13.191 1.00 2.53 H new ATOM 0 HD2 PHE A 97 -4.170 -5.959 9.993 1.00 2.26 H new ATOM 0 HE1 PHE A 97 -0.971 -7.042 13.641 1.00 2.53 H new ATOM 0 HE2 PHE A 97 -3.570 -8.330 10.456 1.00 2.34 H new ATOM 0 HZ PHE A 97 -2.027 -8.870 12.329 1.00 1.59 H new ATOM 1559 N HIS A 98 -5.448 -1.353 12.205 1.00 1.12 N ATOM 1560 CA HIS A 98 -5.614 0.071 12.444 1.00 1.14 C ATOM 1561 C HIS A 98 -6.846 0.676 11.736 1.00 1.43 C ATOM 1562 O HIS A 98 -6.989 0.495 10.524 1.00 1.49 O ATOM 1563 CB HIS A 98 -4.324 0.774 12.001 1.00 1.21 C ATOM 1564 CG HIS A 98 -3.979 1.920 12.907 1.00 1.60 C ATOM 1565 ND1 HIS A 98 -3.667 1.809 14.233 1.00 2.11 N flip ATOM 1566 CD2 HIS A 98 -4.048 3.262 12.616 1.00 2.50 C flip ATOM 1567 CE1 HIS A 98 -3.535 3.089 14.756 1.00 2.99 C flip ATOM 1568 NE2 HIS A 98 -3.782 3.937 13.746 1.00 3.22 N flip ATOM 0 H HIS A 98 -5.947 -1.698 11.385 1.00 1.12 H new ATOM 0 HA HIS A 98 -5.797 0.223 13.508 1.00 1.14 H new ATOM 0 HB2 HIS A 98 -3.503 0.057 11.992 1.00 1.21 H new ATOM 0 HB3 HIS A 98 -4.440 1.139 10.980 1.00 1.21 H new ATOM 0 HD2 HIS A 98 -4.275 3.695 11.653 1.00 2.50 H new ATOM 0 HE1 HIS A 98 -3.284 3.350 15.773 1.00 2.99 H new ATOM 0 HE2 HIS A 98 -3.769 4.954 13.826 1.00 3.22 H new ATOM 1577 N PRO A 99 -7.707 1.448 12.431 1.00 1.23 N ATOM 1578 CA PRO A 99 -8.950 1.962 11.856 1.00 1.39 C ATOM 1579 C PRO A 99 -8.714 2.944 10.702 1.00 1.51 C ATOM 1580 O PRO A 99 -9.524 3.027 9.785 1.00 1.57 O ATOM 1581 CB PRO A 99 -9.703 2.614 13.021 1.00 1.56 C ATOM 1582 CG PRO A 99 -8.595 3.002 13.998 1.00 1.52 C ATOM 1583 CD PRO A 99 -7.579 1.873 13.819 1.00 1.36 C ATOM 0 HA PRO A 99 -9.528 1.156 11.404 1.00 1.39 H new ATOM 0 HB2 PRO A 99 -10.271 3.485 12.693 1.00 1.56 H new ATOM 0 HB3 PRO A 99 -10.413 1.923 13.475 1.00 1.56 H new ATOM 0 HG2 PRO A 99 -8.166 3.975 13.758 1.00 1.52 H new ATOM 0 HG3 PRO A 99 -8.961 3.059 15.023 1.00 1.52 H new ATOM 0 HD2 PRO A 99 -6.567 2.219 14.032 1.00 1.36 H new ATOM 0 HD3 PRO A 99 -7.784 1.049 14.502 1.00 1.36 H new ATOM 1591 N SER A 100 -7.584 3.653 10.711 1.00 1.26 N ATOM 1592 CA SER A 100 -7.188 4.616 9.674 1.00 1.35 C ATOM 1593 C SER A 100 -6.825 3.999 8.306 1.00 1.35 C ATOM 1594 O SER A 100 -6.537 4.735 7.357 1.00 1.45 O ATOM 1595 CB SER A 100 -5.977 5.414 10.197 1.00 1.60 C ATOM 1596 OG SER A 100 -6.064 5.665 11.594 1.00 2.89 O ATOM 0 H SER A 100 -6.897 3.573 11.461 1.00 1.26 H new ATOM 0 HA SER A 100 -8.062 5.241 9.489 1.00 1.35 H new ATOM 0 HB2 SER A 100 -5.061 4.863 9.985 1.00 1.60 H new ATOM 0 HB3 SER A 100 -5.910 6.362 9.662 1.00 1.60 H new ATOM 0 HG SER A 100 -5.402 6.342 11.847 1.00 2.89 H new ATOM 1602 N PHE A 101 -6.779 2.665 8.199 1.00 1.09 N ATOM 1603 CA PHE A 101 -6.303 1.966 7.006 1.00 1.04 C ATOM 1604 C PHE A 101 -7.481 1.540 6.122 1.00 1.82 C ATOM 1605 O PHE A 101 -8.549 1.182 6.623 1.00 2.34 O ATOM 1606 CB PHE A 101 -5.484 0.731 7.409 1.00 1.16 C ATOM 1607 CG PHE A 101 -4.211 0.912 8.224 1.00 1.51 C ATOM 1608 CD1 PHE A 101 -3.675 2.177 8.559 1.00 2.52 C ATOM 1609 CD2 PHE A 101 -3.523 -0.249 8.622 1.00 2.27 C ATOM 1610 CE1 PHE A 101 -2.460 2.270 9.264 1.00 2.89 C ATOM 1611 CE2 PHE A 101 -2.304 -0.158 9.313 1.00 2.44 C ATOM 1612 CZ PHE A 101 -1.770 1.102 9.630 1.00 2.44 C ATOM 0 H PHE A 101 -7.075 2.038 8.947 1.00 1.09 H new ATOM 0 HA PHE A 101 -5.670 2.648 6.439 1.00 1.04 H new ATOM 0 HB2 PHE A 101 -6.143 0.072 7.974 1.00 1.16 H new ATOM 0 HB3 PHE A 101 -5.214 0.204 6.494 1.00 1.16 H new ATOM 0 HD1 PHE A 101 -4.200 3.076 8.273 1.00 2.52 H new ATOM 0 HD2 PHE A 101 -3.937 -1.220 8.394 1.00 2.27 H new ATOM 0 HE1 PHE A 101 -2.059 3.238 9.523 1.00 2.89 H new ATOM 0 HE2 PHE A 101 -1.777 -1.056 9.601 1.00 2.44 H new ATOM 0 HZ PHE A 101 -0.829 1.173 10.155 1.00 2.44 H new ATOM 1622 N LEU A 102 -7.279 1.569 4.802 1.00 0.93 N ATOM 1623 CA LEU A 102 -8.280 1.201 3.786 1.00 0.89 C ATOM 1624 C LEU A 102 -7.829 -0.024 2.976 1.00 1.16 C ATOM 1625 O LEU A 102 -6.678 -0.066 2.541 1.00 1.41 O ATOM 1626 CB LEU A 102 -8.496 2.429 2.882 1.00 0.92 C ATOM 1627 CG LEU A 102 -9.472 2.263 1.698 1.00 1.23 C ATOM 1628 CD1 LEU A 102 -10.895 1.878 2.132 1.00 1.13 C ATOM 1629 CD2 LEU A 102 -9.523 3.590 0.926 1.00 2.07 C ATOM 0 H LEU A 102 -6.389 1.857 4.394 1.00 0.93 H new ATOM 0 HA LEU A 102 -9.218 0.920 4.264 1.00 0.89 H new ATOM 0 HB2 LEU A 102 -8.854 3.249 3.504 1.00 0.92 H new ATOM 0 HB3 LEU A 102 -7.528 2.731 2.483 1.00 0.92 H new ATOM 0 HG LEU A 102 -9.102 1.446 1.078 1.00 1.23 H new ATOM 0 HD11 LEU A 102 -11.529 1.777 1.251 1.00 1.13 H new ATOM 0 HD12 LEU A 102 -10.868 0.930 2.670 1.00 1.13 H new ATOM 0 HD13 LEU A 102 -11.299 2.653 2.783 1.00 1.13 H new ATOM 0 HD21 LEU A 102 -10.208 3.495 0.084 1.00 2.07 H new ATOM 0 HD22 LEU A 102 -9.870 4.383 1.588 1.00 2.07 H new ATOM 0 HD23 LEU A 102 -8.527 3.835 0.558 1.00 2.07 H new ATOM 1641 N GLY A 103 -8.742 -0.973 2.741 1.00 0.81 N ATOM 1642 CA GLY A 103 -8.566 -2.099 1.811 1.00 0.75 C ATOM 1643 C GLY A 103 -9.331 -1.909 0.500 1.00 0.76 C ATOM 1644 O GLY A 103 -10.492 -1.499 0.515 1.00 0.85 O ATOM 0 H GLY A 103 -9.650 -0.981 3.205 1.00 0.81 H new ATOM 0 HA2 GLY A 103 -7.505 -2.222 1.593 1.00 0.75 H new ATOM 0 HA3 GLY A 103 -8.901 -3.018 2.292 1.00 0.75 H new ATOM 1648 N LEU A 104 -8.688 -2.233 -0.630 1.00 0.67 N ATOM 1649 CA LEU A 104 -9.194 -2.075 -1.997 1.00 0.68 C ATOM 1650 C LEU A 104 -9.022 -3.373 -2.798 1.00 1.16 C ATOM 1651 O LEU A 104 -7.921 -3.899 -2.937 1.00 1.40 O ATOM 1652 CB LEU A 104 -8.412 -0.946 -2.695 1.00 0.78 C ATOM 1653 CG LEU A 104 -8.480 0.444 -2.041 1.00 0.89 C ATOM 1654 CD1 LEU A 104 -7.566 1.399 -2.819 1.00 1.21 C ATOM 1655 CD2 LEU A 104 -9.908 1.005 -2.019 1.00 1.11 C ATOM 0 H LEU A 104 -7.750 -2.634 -0.612 1.00 0.67 H new ATOM 0 HA LEU A 104 -10.256 -1.832 -1.950 1.00 0.68 H new ATOM 0 HB2 LEU A 104 -7.365 -1.243 -2.755 1.00 0.78 H new ATOM 0 HB3 LEU A 104 -8.778 -0.860 -3.718 1.00 0.78 H new ATOM 0 HG LEU A 104 -8.152 0.349 -1.006 1.00 0.89 H new ATOM 0 HD11 LEU A 104 -7.605 2.390 -2.366 1.00 1.21 H new ATOM 0 HD12 LEU A 104 -6.542 1.026 -2.791 1.00 1.21 H new ATOM 0 HD13 LEU A 104 -7.901 1.461 -3.854 1.00 1.21 H new ATOM 0 HD21 LEU A 104 -9.906 1.988 -1.548 1.00 1.11 H new ATOM 0 HD22 LEU A 104 -10.280 1.093 -3.040 1.00 1.11 H new ATOM 0 HD23 LEU A 104 -10.554 0.333 -1.454 1.00 1.11 H new ATOM 1667 N SER A 105 -10.110 -3.918 -3.323 1.00 0.68 N ATOM 1668 CA SER A 105 -10.119 -4.882 -4.430 1.00 0.66 C ATOM 1669 C SER A 105 -11.460 -4.753 -5.163 1.00 0.83 C ATOM 1670 O SER A 105 -12.307 -3.963 -4.742 1.00 1.19 O ATOM 1671 CB SER A 105 -9.812 -6.287 -3.917 1.00 1.10 C ATOM 1672 OG SER A 105 -9.908 -7.291 -4.911 1.00 1.08 O ATOM 0 H SER A 105 -11.046 -3.698 -2.983 1.00 0.68 H new ATOM 0 HA SER A 105 -9.331 -4.670 -5.153 1.00 0.66 H new ATOM 0 HB2 SER A 105 -8.806 -6.299 -3.497 1.00 1.10 H new ATOM 0 HB3 SER A 105 -10.499 -6.526 -3.105 1.00 1.10 H new ATOM 0 HG SER A 105 -10.158 -8.142 -4.494 1.00 1.08 H new ATOM 1678 N GLY A 106 -11.703 -5.535 -6.213 1.00 0.83 N ATOM 1679 CA GLY A 106 -12.940 -5.454 -6.979 1.00 1.12 C ATOM 1680 C GLY A 106 -12.858 -6.134 -8.325 1.00 1.07 C ATOM 1681 O GLY A 106 -12.319 -7.233 -8.456 1.00 1.17 O ATOM 0 H GLY A 106 -11.049 -6.240 -6.554 1.00 0.83 H new ATOM 0 HA2 GLY A 106 -13.747 -5.905 -6.401 1.00 1.12 H new ATOM 0 HA3 GLY A 106 -13.200 -4.406 -7.125 1.00 1.12 H new ATOM 1685 N SER A 107 -13.392 -5.459 -9.338 1.00 1.04 N ATOM 1686 CA SER A 107 -13.264 -5.889 -10.737 1.00 1.02 C ATOM 1687 C SER A 107 -11.781 -6.134 -11.131 1.00 1.09 C ATOM 1688 O SER A 107 -10.924 -5.271 -10.871 1.00 1.07 O ATOM 1689 CB SER A 107 -13.920 -4.865 -11.672 1.00 1.16 C ATOM 1690 OG SER A 107 -14.509 -5.498 -12.792 1.00 2.13 O ATOM 0 H SER A 107 -13.926 -4.598 -9.218 1.00 1.04 H new ATOM 0 HA SER A 107 -13.785 -6.840 -10.843 1.00 1.02 H new ATOM 0 HB2 SER A 107 -14.679 -4.305 -11.127 1.00 1.16 H new ATOM 0 HB3 SER A 107 -13.174 -4.145 -12.009 1.00 1.16 H new ATOM 0 HG SER A 107 -13.886 -5.471 -13.548 1.00 2.13 H new ATOM 1696 N PRO A 108 -11.444 -7.276 -11.771 1.00 1.03 N ATOM 1697 CA PRO A 108 -10.062 -7.654 -12.086 1.00 1.10 C ATOM 1698 C PRO A 108 -9.345 -6.630 -12.975 1.00 1.28 C ATOM 1699 O PRO A 108 -8.130 -6.479 -12.875 1.00 1.14 O ATOM 1700 CB PRO A 108 -10.144 -9.032 -12.759 1.00 1.20 C ATOM 1701 CG PRO A 108 -11.591 -9.156 -13.226 1.00 1.22 C ATOM 1702 CD PRO A 108 -12.365 -8.310 -12.220 1.00 1.13 C ATOM 0 HA PRO A 108 -9.463 -7.686 -11.176 1.00 1.10 H new ATOM 0 HB2 PRO A 108 -9.451 -9.104 -13.597 1.00 1.20 H new ATOM 0 HB3 PRO A 108 -9.884 -9.828 -12.061 1.00 1.20 H new ATOM 0 HG2 PRO A 108 -11.717 -8.785 -14.243 1.00 1.22 H new ATOM 0 HG3 PRO A 108 -11.927 -10.193 -13.221 1.00 1.22 H new ATOM 0 HD2 PRO A 108 -13.251 -7.871 -12.679 1.00 1.13 H new ATOM 0 HD3 PRO A 108 -12.708 -8.917 -11.382 1.00 1.13 H new ATOM 1710 N GLU A 109 -10.103 -5.885 -13.782 1.00 1.08 N ATOM 1711 CA GLU A 109 -9.652 -4.738 -14.562 1.00 1.14 C ATOM 1712 C GLU A 109 -9.055 -3.675 -13.636 1.00 1.29 C ATOM 1713 O GLU A 109 -7.897 -3.305 -13.790 1.00 1.42 O ATOM 1714 CB GLU A 109 -10.819 -4.114 -15.358 1.00 1.51 C ATOM 1715 CG GLU A 109 -11.520 -5.046 -16.360 1.00 1.50 C ATOM 1716 CD GLU A 109 -12.231 -6.227 -15.697 1.00 2.43 C ATOM 1717 OE1 GLU A 109 -12.751 -6.056 -14.563 1.00 3.54 O ATOM 1718 OE2 GLU A 109 -12.147 -7.328 -16.270 1.00 2.98 O ATOM 0 H GLU A 109 -11.096 -6.077 -13.914 1.00 1.08 H new ATOM 0 HA GLU A 109 -8.894 -5.088 -15.263 1.00 1.14 H new ATOM 0 HB2 GLU A 109 -11.562 -3.748 -14.650 1.00 1.51 H new ATOM 0 HB3 GLU A 109 -10.441 -3.247 -15.900 1.00 1.51 H new ATOM 0 HG2 GLU A 109 -12.246 -4.470 -16.934 1.00 1.50 H new ATOM 0 HG3 GLU A 109 -10.783 -5.426 -17.068 1.00 1.50 H new ATOM 1725 N ALA A 110 -9.812 -3.214 -12.637 1.00 0.99 N ATOM 1726 CA ALA A 110 -9.373 -2.172 -11.708 1.00 0.93 C ATOM 1727 C ALA A 110 -8.095 -2.586 -10.965 1.00 0.93 C ATOM 1728 O ALA A 110 -7.136 -1.815 -10.907 1.00 0.94 O ATOM 1729 CB ALA A 110 -10.536 -1.858 -10.756 1.00 1.05 C ATOM 0 H ALA A 110 -10.754 -3.557 -12.450 1.00 0.99 H new ATOM 0 HA ALA A 110 -9.111 -1.266 -12.255 1.00 0.93 H new ATOM 0 HB1 ALA A 110 -10.232 -1.083 -10.053 1.00 1.05 H new ATOM 0 HB2 ALA A 110 -11.394 -1.510 -11.332 1.00 1.05 H new ATOM 0 HB3 ALA A 110 -10.810 -2.759 -10.206 1.00 1.05 H new ATOM 1735 N VAL A 111 -8.054 -3.833 -10.479 1.00 0.77 N ATOM 1736 CA VAL A 111 -6.851 -4.405 -9.846 1.00 0.72 C ATOM 1737 C VAL A 111 -5.657 -4.389 -10.820 1.00 1.01 C ATOM 1738 O VAL A 111 -4.565 -3.947 -10.450 1.00 0.85 O ATOM 1739 CB VAL A 111 -7.126 -5.832 -9.298 1.00 0.72 C ATOM 1740 CG1 VAL A 111 -5.860 -6.491 -8.719 1.00 1.11 C ATOM 1741 CG2 VAL A 111 -8.212 -5.791 -8.204 1.00 1.16 C ATOM 0 H VAL A 111 -8.847 -4.474 -10.511 1.00 0.77 H new ATOM 0 HA VAL A 111 -6.589 -3.779 -8.993 1.00 0.72 H new ATOM 0 HB VAL A 111 -7.466 -6.429 -10.144 1.00 0.72 H new ATOM 0 HG11 VAL A 111 -6.105 -7.487 -8.349 1.00 1.11 H new ATOM 0 HG12 VAL A 111 -5.102 -6.570 -9.498 1.00 1.11 H new ATOM 0 HG13 VAL A 111 -5.476 -5.884 -7.899 1.00 1.11 H new ATOM 0 HG21 VAL A 111 -8.392 -6.800 -7.832 1.00 1.16 H new ATOM 0 HG22 VAL A 111 -7.878 -5.155 -7.384 1.00 1.16 H new ATOM 0 HG23 VAL A 111 -9.135 -5.389 -8.622 1.00 1.16 H new ATOM 1751 N ARG A 112 -5.845 -4.818 -12.080 1.00 0.75 N ATOM 1752 CA ARG A 112 -4.745 -4.904 -13.056 1.00 0.80 C ATOM 1753 C ARG A 112 -4.238 -3.538 -13.528 1.00 1.03 C ATOM 1754 O ARG A 112 -3.024 -3.364 -13.601 1.00 1.13 O ATOM 1755 CB ARG A 112 -5.076 -5.879 -14.192 1.00 1.04 C ATOM 1756 CG ARG A 112 -5.877 -5.363 -15.395 1.00 2.07 C ATOM 1757 CD ARG A 112 -5.026 -5.271 -16.658 1.00 2.32 C ATOM 1758 NE ARG A 112 -5.887 -5.018 -17.828 1.00 3.77 N ATOM 1759 CZ ARG A 112 -5.554 -4.359 -18.935 1.00 4.84 C ATOM 1760 NH1 ARG A 112 -4.314 -4.025 -19.226 1.00 5.08 N ATOM 1761 NH2 ARG A 112 -6.504 -4.005 -19.771 1.00 6.25 N ATOM 0 H ARG A 112 -6.750 -5.111 -12.447 1.00 0.75 H new ATOM 0 HA ARG A 112 -3.889 -5.330 -12.532 1.00 0.80 H new ATOM 0 HB2 ARG A 112 -4.135 -6.280 -14.569 1.00 1.04 H new ATOM 0 HB3 ARG A 112 -5.628 -6.714 -13.761 1.00 1.04 H new ATOM 0 HG2 ARG A 112 -6.723 -6.025 -15.577 1.00 2.07 H new ATOM 0 HG3 ARG A 112 -6.286 -4.380 -15.162 1.00 2.07 H new ATOM 0 HD2 ARG A 112 -4.293 -4.471 -16.555 1.00 2.32 H new ATOM 0 HD3 ARG A 112 -4.469 -6.197 -16.799 1.00 2.32 H new ATOM 0 HE ARG A 112 -6.837 -5.387 -17.784 1.00 3.77 H new ATOM 0 HH11 ARG A 112 -3.556 -4.272 -18.589 1.00 5.08 H new ATOM 0 HH12 ARG A 112 -4.111 -3.520 -20.088 1.00 5.08 H new ATOM 0 HH21 ARG A 112 -7.476 -4.236 -19.566 1.00 6.25 H new ATOM 0 HH22 ARG A 112 -6.269 -3.499 -20.625 1.00 6.25 H new ATOM 1775 N GLU A 113 -5.128 -2.573 -13.760 1.00 0.76 N ATOM 1776 CA GLU A 113 -4.767 -1.203 -14.158 1.00 0.83 C ATOM 1777 C GLU A 113 -3.820 -0.536 -13.152 1.00 1.05 C ATOM 1778 O GLU A 113 -2.791 0.020 -13.538 1.00 1.09 O ATOM 1779 CB GLU A 113 -6.001 -0.328 -14.377 1.00 0.94 C ATOM 1780 CG GLU A 113 -6.814 -0.712 -15.619 1.00 1.39 C ATOM 1781 CD GLU A 113 -5.984 -0.958 -16.875 1.00 2.43 C ATOM 1782 OE1 GLU A 113 -5.610 0.014 -17.554 1.00 2.64 O ATOM 1783 OE2 GLU A 113 -5.663 -2.135 -17.141 1.00 3.70 O ATOM 0 H GLU A 113 -6.134 -2.718 -13.677 1.00 0.76 H new ATOM 0 HA GLU A 113 -4.239 -1.295 -15.107 1.00 0.83 H new ATOM 0 HB2 GLU A 113 -6.643 -0.393 -13.498 1.00 0.94 H new ATOM 0 HB3 GLU A 113 -5.687 0.712 -14.466 1.00 0.94 H new ATOM 0 HG2 GLU A 113 -7.387 -1.612 -15.397 1.00 1.39 H new ATOM 0 HG3 GLU A 113 -7.533 0.081 -15.825 1.00 1.39 H new ATOM 1790 N ALA A 114 -4.123 -0.633 -11.853 1.00 0.62 N ATOM 1791 CA ALA A 114 -3.268 -0.108 -10.789 1.00 0.62 C ATOM 1792 C ALA A 114 -1.908 -0.814 -10.719 1.00 0.89 C ATOM 1793 O ALA A 114 -0.867 -0.159 -10.656 1.00 1.05 O ATOM 1794 CB ALA A 114 -4.035 -0.258 -9.474 1.00 0.62 C ATOM 0 H ALA A 114 -4.973 -1.081 -11.511 1.00 0.62 H new ATOM 0 HA ALA A 114 -3.040 0.939 -10.992 1.00 0.62 H new ATOM 0 HB1 ALA A 114 -3.428 0.124 -8.653 1.00 0.62 H new ATOM 0 HB2 ALA A 114 -4.966 0.306 -9.530 1.00 0.62 H new ATOM 0 HB3 ALA A 114 -4.258 -1.311 -9.301 1.00 0.62 H new ATOM 1800 N ALA A 115 -1.909 -2.149 -10.743 1.00 0.51 N ATOM 1801 CA ALA A 115 -0.708 -2.974 -10.634 1.00 0.53 C ATOM 1802 C ALA A 115 0.281 -2.707 -11.782 1.00 0.79 C ATOM 1803 O ALA A 115 1.458 -2.420 -11.535 1.00 0.86 O ATOM 1804 CB ALA A 115 -1.155 -4.442 -10.595 1.00 0.62 C ATOM 0 H ALA A 115 -2.764 -2.696 -10.841 1.00 0.51 H new ATOM 0 HA ALA A 115 -0.168 -2.724 -9.721 1.00 0.53 H new ATOM 0 HB1 ALA A 115 -0.280 -5.087 -10.514 1.00 0.62 H new ATOM 0 HB2 ALA A 115 -1.805 -4.602 -9.735 1.00 0.62 H new ATOM 0 HB3 ALA A 115 -1.698 -4.681 -11.509 1.00 0.62 H new ATOM 1810 N GLN A 116 -0.193 -2.767 -13.031 1.00 0.77 N ATOM 1811 CA GLN A 116 0.644 -2.601 -14.222 1.00 0.99 C ATOM 1812 C GLN A 116 1.292 -1.219 -14.301 1.00 1.31 C ATOM 1813 O GLN A 116 2.438 -1.100 -14.723 1.00 1.43 O ATOM 1814 CB GLN A 116 -0.156 -2.953 -15.480 1.00 1.30 C ATOM 1815 CG GLN A 116 -1.220 -1.927 -15.860 1.00 1.55 C ATOM 1816 CD GLN A 116 -2.183 -2.365 -16.962 1.00 2.84 C ATOM 1817 OE1 GLN A 116 -2.289 -3.527 -17.341 1.00 3.07 O ATOM 1818 NE2 GLN A 116 -2.949 -1.432 -17.475 1.00 4.19 N ATOM 0 H GLN A 116 -1.176 -2.934 -13.244 1.00 0.77 H new ATOM 0 HA GLN A 116 1.477 -3.299 -14.147 1.00 0.99 H new ATOM 0 HB2 GLN A 116 0.535 -3.067 -16.315 1.00 1.30 H new ATOM 0 HB3 GLN A 116 -0.638 -3.919 -15.331 1.00 1.30 H new ATOM 0 HG2 GLN A 116 -1.799 -1.682 -14.970 1.00 1.55 H new ATOM 0 HG3 GLN A 116 -0.721 -1.011 -16.178 1.00 1.55 H new ATOM 0 HE21 GLN A 116 -2.859 -0.467 -17.158 1.00 4.19 H new ATOM 0 HE22 GLN A 116 -3.635 -1.672 -18.191 1.00 4.19 H new ATOM 1827 N THR A 117 0.578 -0.194 -13.832 1.00 1.03 N ATOM 1828 CA THR A 117 1.028 1.213 -13.822 1.00 1.15 C ATOM 1829 C THR A 117 2.227 1.451 -12.903 1.00 1.40 C ATOM 1830 O THR A 117 3.114 2.247 -13.232 1.00 1.36 O ATOM 1831 CB THR A 117 -0.153 2.121 -13.460 1.00 1.21 C ATOM 1832 OG1 THR A 117 -1.131 1.922 -14.450 1.00 1.55 O ATOM 1833 CG2 THR A 117 0.211 3.608 -13.488 1.00 1.50 C ATOM 0 H THR A 117 -0.354 -0.315 -13.437 1.00 1.03 H new ATOM 0 HA THR A 117 1.379 1.460 -14.824 1.00 1.15 H new ATOM 0 HB THR A 117 -0.482 1.871 -12.451 1.00 1.21 H new ATOM 0 HG1 THR A 117 -1.671 1.137 -14.223 1.00 1.55 H new ATOM 0 HG21 THR A 117 -0.664 4.202 -13.224 1.00 1.50 H new ATOM 0 HG22 THR A 117 1.010 3.801 -12.772 1.00 1.50 H new ATOM 0 HG23 THR A 117 0.546 3.882 -14.488 1.00 1.50 H new ATOM 1841 N PHE A 118 2.267 0.777 -11.752 1.00 1.07 N ATOM 1842 CA PHE A 118 3.458 0.655 -10.908 1.00 1.22 C ATOM 1843 C PHE A 118 4.528 -0.324 -11.433 1.00 2.26 C ATOM 1844 O PHE A 118 5.675 -0.226 -11.002 1.00 2.60 O ATOM 1845 CB PHE A 118 3.009 0.284 -9.490 1.00 1.21 C ATOM 1846 CG PHE A 118 2.419 1.445 -8.717 1.00 1.25 C ATOM 1847 CD1 PHE A 118 3.256 2.484 -8.268 1.00 2.43 C ATOM 1848 CD2 PHE A 118 1.041 1.499 -8.446 1.00 2.09 C ATOM 1849 CE1 PHE A 118 2.722 3.556 -7.533 1.00 2.56 C ATOM 1850 CE2 PHE A 118 0.507 2.563 -7.700 1.00 1.81 C ATOM 1851 CZ PHE A 118 1.349 3.587 -7.239 1.00 1.39 C ATOM 0 H PHE A 118 1.455 0.290 -11.372 1.00 1.07 H new ATOM 0 HA PHE A 118 3.961 1.622 -10.918 1.00 1.22 H new ATOM 0 HB2 PHE A 118 2.270 -0.515 -9.549 1.00 1.21 H new ATOM 0 HB3 PHE A 118 3.863 -0.112 -8.940 1.00 1.21 H new ATOM 0 HD1 PHE A 118 4.313 2.457 -8.489 1.00 2.43 H new ATOM 0 HD2 PHE A 118 0.390 0.719 -8.813 1.00 2.09 H new ATOM 0 HE1 PHE A 118 3.366 4.354 -7.195 1.00 2.56 H new ATOM 0 HE2 PHE A 118 -0.550 2.593 -7.481 1.00 1.81 H new ATOM 0 HZ PHE A 118 0.940 4.400 -6.657 1.00 1.39 H new ATOM 1861 N GLY A 119 4.178 -1.272 -12.314 1.00 1.27 N ATOM 1862 CA GLY A 119 5.042 -2.391 -12.723 1.00 1.31 C ATOM 1863 C GLY A 119 4.908 -3.647 -11.855 1.00 1.18 C ATOM 1864 O GLY A 119 5.765 -4.523 -11.911 1.00 1.41 O ATOM 0 H GLY A 119 3.267 -1.283 -12.773 1.00 1.27 H new ATOM 0 HA2 GLY A 119 4.812 -2.652 -13.756 1.00 1.31 H new ATOM 0 HA3 GLY A 119 6.080 -2.059 -12.702 1.00 1.31 H new ATOM 1868 N VAL A 120 3.844 -3.755 -11.054 1.00 0.84 N ATOM 1869 CA VAL A 120 3.564 -4.923 -10.200 1.00 0.69 C ATOM 1870 C VAL A 120 3.017 -6.070 -11.052 1.00 0.86 C ATOM 1871 O VAL A 120 1.946 -5.966 -11.650 1.00 1.09 O ATOM 1872 CB VAL A 120 2.584 -4.575 -9.056 1.00 0.71 C ATOM 1873 CG1 VAL A 120 2.148 -5.795 -8.226 1.00 0.91 C ATOM 1874 CG2 VAL A 120 3.240 -3.561 -8.114 1.00 1.29 C ATOM 0 H VAL A 120 3.138 -3.023 -10.976 1.00 0.84 H new ATOM 0 HA VAL A 120 4.500 -5.236 -9.737 1.00 0.69 H new ATOM 0 HB VAL A 120 1.692 -4.167 -9.531 1.00 0.71 H new ATOM 0 HG11 VAL A 120 1.461 -5.475 -7.442 1.00 0.91 H new ATOM 0 HG12 VAL A 120 1.649 -6.516 -8.873 1.00 0.91 H new ATOM 0 HG13 VAL A 120 3.024 -6.259 -7.774 1.00 0.91 H new ATOM 0 HG21 VAL A 120 2.550 -3.315 -7.307 1.00 1.29 H new ATOM 0 HG22 VAL A 120 4.150 -3.990 -7.695 1.00 1.29 H new ATOM 0 HG23 VAL A 120 3.487 -2.656 -8.669 1.00 1.29 H new ATOM 1884 N PHE A 121 3.772 -7.173 -11.072 1.00 0.91 N ATOM 1885 CA PHE A 121 3.463 -8.388 -11.817 1.00 0.95 C ATOM 1886 C PHE A 121 3.001 -9.528 -10.895 1.00 1.66 C ATOM 1887 O PHE A 121 3.455 -9.679 -9.755 1.00 1.64 O ATOM 1888 CB PHE A 121 4.670 -8.789 -12.678 1.00 1.02 C ATOM 1889 CG PHE A 121 5.950 -9.070 -11.913 1.00 1.09 C ATOM 1890 CD1 PHE A 121 6.837 -8.017 -11.609 1.00 1.76 C ATOM 1891 CD2 PHE A 121 6.257 -10.381 -11.504 1.00 2.47 C ATOM 1892 CE1 PHE A 121 8.022 -8.278 -10.896 1.00 1.73 C ATOM 1893 CE2 PHE A 121 7.443 -10.642 -10.796 1.00 2.40 C ATOM 1894 CZ PHE A 121 8.325 -9.591 -10.492 1.00 1.38 C ATOM 0 H PHE A 121 4.645 -7.242 -10.550 1.00 0.91 H new ATOM 0 HA PHE A 121 2.622 -8.184 -12.480 1.00 0.95 H new ATOM 0 HB2 PHE A 121 4.407 -9.678 -13.251 1.00 1.02 H new ATOM 0 HB3 PHE A 121 4.863 -7.992 -13.396 1.00 1.02 H new ATOM 0 HD1 PHE A 121 6.607 -7.010 -11.923 1.00 1.76 H new ATOM 0 HD2 PHE A 121 5.579 -11.189 -11.735 1.00 2.47 H new ATOM 0 HE1 PHE A 121 8.699 -7.470 -10.659 1.00 1.73 H new ATOM 0 HE2 PHE A 121 7.676 -11.650 -10.486 1.00 2.40 H new ATOM 0 HZ PHE A 121 9.236 -9.791 -9.948 1.00 1.38 H new ATOM 1904 N TYR A 122 2.058 -10.313 -11.415 1.00 1.00 N ATOM 1905 CA TYR A 122 1.451 -11.473 -10.768 1.00 0.98 C ATOM 1906 C TYR A 122 1.130 -12.581 -11.785 1.00 1.34 C ATOM 1907 O TYR A 122 0.906 -12.312 -12.965 1.00 1.49 O ATOM 1908 CB TYR A 122 0.186 -11.039 -10.001 1.00 1.01 C ATOM 1909 CG TYR A 122 -0.944 -10.540 -10.888 1.00 1.22 C ATOM 1910 CD1 TYR A 122 -0.915 -9.220 -11.386 1.00 1.91 C ATOM 1911 CD2 TYR A 122 -2.000 -11.401 -11.243 1.00 2.32 C ATOM 1912 CE1 TYR A 122 -1.914 -8.770 -12.267 1.00 2.12 C ATOM 1913 CE2 TYR A 122 -3.013 -10.952 -12.115 1.00 2.55 C ATOM 1914 CZ TYR A 122 -2.963 -9.639 -12.643 1.00 1.90 C ATOM 1915 OH TYR A 122 -3.923 -9.209 -13.507 1.00 2.35 O ATOM 0 H TYR A 122 1.678 -10.147 -12.347 1.00 1.00 H new ATOM 0 HA TYR A 122 2.168 -11.888 -10.059 1.00 0.98 H new ATOM 0 HB2 TYR A 122 -0.175 -11.883 -9.413 1.00 1.01 H new ATOM 0 HB3 TYR A 122 0.455 -10.251 -9.297 1.00 1.01 H new ATOM 0 HD1 TYR A 122 -0.121 -8.551 -11.089 1.00 1.91 H new ATOM 0 HD2 TYR A 122 -2.034 -12.405 -10.847 1.00 2.32 H new ATOM 0 HE1 TYR A 122 -1.880 -7.763 -12.655 1.00 2.12 H new ATOM 0 HE2 TYR A 122 -3.827 -11.610 -12.380 1.00 2.55 H new ATOM 0 HH TYR A 122 -4.570 -9.929 -13.662 1.00 2.35 H new ATOM 1925 N GLN A 123 1.036 -13.814 -11.311 1.00 0.91 N ATOM 1926 CA GLN A 123 0.390 -14.931 -11.992 1.00 0.96 C ATOM 1927 C GLN A 123 -0.694 -15.476 -11.035 1.00 1.25 C ATOM 1928 O GLN A 123 -0.773 -15.048 -9.886 1.00 1.76 O ATOM 1929 CB GLN A 123 1.499 -15.947 -12.333 1.00 1.36 C ATOM 1930 CG GLN A 123 1.098 -17.109 -13.263 1.00 3.00 C ATOM 1931 CD GLN A 123 2.108 -18.253 -13.223 1.00 4.03 C ATOM 1932 OE1 GLN A 123 2.751 -18.587 -14.204 1.00 4.49 O ATOM 1933 NE2 GLN A 123 2.289 -18.896 -12.090 1.00 5.04 N ATOM 0 H GLN A 123 1.423 -14.077 -10.404 1.00 0.91 H new ATOM 0 HA GLN A 123 -0.107 -14.666 -12.925 1.00 0.96 H new ATOM 0 HB2 GLN A 123 2.326 -15.408 -12.796 1.00 1.36 H new ATOM 0 HB3 GLN A 123 1.875 -16.369 -11.401 1.00 1.36 H new ATOM 0 HG2 GLN A 123 0.116 -17.483 -12.972 1.00 3.00 H new ATOM 0 HG3 GLN A 123 1.009 -16.740 -14.285 1.00 3.00 H new ATOM 0 HE21 GLN A 123 1.758 -18.628 -11.261 1.00 5.04 H new ATOM 0 HE22 GLN A 123 2.960 -19.663 -12.040 1.00 5.04 H new ATOM 1942 N LYS A 124 -1.526 -16.420 -11.476 1.00 1.07 N ATOM 1943 CA LYS A 124 -2.135 -17.409 -10.573 1.00 1.19 C ATOM 1944 C LYS A 124 -1.791 -18.820 -11.073 1.00 1.41 C ATOM 1945 O LYS A 124 -1.818 -19.059 -12.283 1.00 1.72 O ATOM 1946 CB LYS A 124 -3.655 -17.172 -10.431 1.00 1.35 C ATOM 1947 CG LYS A 124 -4.451 -17.497 -11.709 1.00 1.69 C ATOM 1948 CD LYS A 124 -5.940 -17.164 -11.579 1.00 2.10 C ATOM 1949 CE LYS A 124 -6.634 -17.538 -12.895 1.00 3.31 C ATOM 1950 NZ LYS A 124 -8.059 -17.139 -12.883 1.00 3.96 N ATOM 0 H LYS A 124 -1.797 -16.524 -12.454 1.00 1.07 H new ATOM 0 HA LYS A 124 -1.725 -17.299 -9.569 1.00 1.19 H new ATOM 0 HB2 LYS A 124 -4.035 -17.782 -9.611 1.00 1.35 H new ATOM 0 HB3 LYS A 124 -3.828 -16.131 -10.160 1.00 1.35 H new ATOM 0 HG2 LYS A 124 -4.030 -16.940 -12.546 1.00 1.69 H new ATOM 0 HG3 LYS A 124 -4.339 -18.556 -11.943 1.00 1.69 H new ATOM 0 HD2 LYS A 124 -6.381 -17.714 -10.748 1.00 2.10 H new ATOM 0 HD3 LYS A 124 -6.075 -16.103 -11.367 1.00 2.10 H new ATOM 0 HE2 LYS A 124 -6.125 -17.053 -13.728 1.00 3.31 H new ATOM 0 HE3 LYS A 124 -6.556 -18.613 -13.057 1.00 3.31 H new ATOM 0 HZ1 LYS A 124 -8.462 -17.264 -13.833 1.00 3.96 H new ATOM 0 HZ2 LYS A 124 -8.580 -17.731 -12.205 1.00 3.96 H new ATOM 0 HZ3 LYS A 124 -8.138 -16.141 -12.602 1.00 3.96 H new ATOM 2120 N VAL A 135 -2.483 -17.553 -5.899 1.00 2.11 N ATOM 2121 CA VAL A 135 -2.041 -16.356 -6.619 1.00 1.75 C ATOM 2122 C VAL A 135 -0.564 -16.115 -6.312 1.00 1.58 C ATOM 2123 O VAL A 135 -0.148 -16.186 -5.154 1.00 1.58 O ATOM 2124 CB VAL A 135 -2.944 -15.142 -6.306 1.00 1.89 C ATOM 2125 CG1 VAL A 135 -2.832 -14.655 -4.851 1.00 2.39 C ATOM 2126 CG2 VAL A 135 -2.689 -14.020 -7.322 1.00 2.37 C ATOM 0 HA VAL A 135 -2.138 -16.508 -7.694 1.00 1.75 H new ATOM 0 HB VAL A 135 -3.978 -15.471 -6.408 1.00 1.89 H new ATOM 0 HG11 VAL A 135 -3.492 -13.801 -4.701 1.00 2.39 H new ATOM 0 HG12 VAL A 135 -3.121 -15.460 -4.175 1.00 2.39 H new ATOM 0 HG13 VAL A 135 -1.804 -14.359 -4.645 1.00 2.39 H new ATOM 0 HG21 VAL A 135 -3.330 -13.169 -7.093 1.00 2.37 H new ATOM 0 HG22 VAL A 135 -1.645 -13.712 -7.270 1.00 2.37 H new ATOM 0 HG23 VAL A 135 -2.911 -14.381 -8.326 1.00 2.37 H new ATOM 2136 N ASP A 136 0.227 -15.866 -7.355 1.00 1.18 N ATOM 2137 CA ASP A 136 1.681 -15.760 -7.305 1.00 1.18 C ATOM 2138 C ASP A 136 2.056 -14.296 -7.615 1.00 1.11 C ATOM 2139 O ASP A 136 2.297 -13.927 -8.764 1.00 1.42 O ATOM 2140 CB ASP A 136 2.344 -16.789 -8.259 1.00 1.78 C ATOM 2141 CG ASP A 136 1.495 -18.014 -8.649 1.00 3.69 C ATOM 2142 OD1 ASP A 136 1.471 -19.025 -7.910 1.00 4.75 O ATOM 2143 OD2 ASP A 136 0.942 -18.003 -9.775 1.00 4.64 O ATOM 0 H ASP A 136 -0.145 -15.727 -8.295 1.00 1.18 H new ATOM 0 HA ASP A 136 2.062 -16.009 -6.314 1.00 1.18 H new ATOM 0 HB2 ASP A 136 2.633 -16.270 -9.173 1.00 1.78 H new ATOM 0 HB3 ASP A 136 3.262 -17.145 -7.791 1.00 1.78 H new ATOM 2148 N HIS A 137 2.026 -13.419 -6.605 1.00 1.02 N ATOM 2149 CA HIS A 137 2.151 -11.971 -6.801 1.00 0.95 C ATOM 2150 C HIS A 137 3.409 -11.350 -6.162 1.00 1.25 C ATOM 2151 O HIS A 137 3.977 -11.864 -5.195 1.00 1.41 O ATOM 2152 CB HIS A 137 0.867 -11.259 -6.334 1.00 1.19 C ATOM 2153 CG HIS A 137 0.831 -10.919 -4.866 1.00 1.40 C ATOM 2154 ND1 HIS A 137 1.419 -9.824 -4.269 1.00 2.43 N ATOM 2155 CD2 HIS A 137 0.275 -11.670 -3.865 1.00 1.76 C ATOM 2156 CE1 HIS A 137 1.273 -9.951 -2.945 1.00 2.83 C ATOM 2157 NE2 HIS A 137 0.556 -11.045 -2.647 1.00 2.29 N ATOM 0 H HIS A 137 1.914 -13.694 -5.629 1.00 1.02 H new ATOM 0 HA HIS A 137 2.280 -11.817 -7.872 1.00 0.95 H new ATOM 0 HB2 HIS A 137 0.748 -10.340 -6.908 1.00 1.19 H new ATOM 0 HB3 HIS A 137 0.012 -11.893 -6.567 1.00 1.19 H new ATOM 0 HD1 HIS A 137 1.883 -9.054 -4.751 1.00 2.43 H new ATOM 0 HD2 HIS A 137 -0.283 -12.585 -3.994 1.00 1.76 H new ATOM 0 HE1 HIS A 137 1.678 -9.266 -2.215 1.00 2.83 H new ATOM 2166 N THR A 138 3.796 -10.176 -6.683 1.00 0.88 N ATOM 2167 CA THR A 138 4.880 -9.343 -6.149 1.00 0.91 C ATOM 2168 C THR A 138 4.403 -8.563 -4.926 1.00 1.22 C ATOM 2169 O THR A 138 3.415 -7.838 -5.012 1.00 2.12 O ATOM 2170 CB THR A 138 5.376 -8.395 -7.243 1.00 1.03 C ATOM 2171 OG1 THR A 138 5.836 -9.179 -8.311 1.00 1.84 O ATOM 2172 CG2 THR A 138 6.527 -7.497 -6.783 1.00 1.19 C ATOM 0 H THR A 138 3.352 -9.771 -7.507 1.00 0.88 H new ATOM 0 HA THR A 138 5.705 -9.982 -5.834 1.00 0.91 H new ATOM 0 HB THR A 138 4.546 -7.745 -7.522 1.00 1.03 H new ATOM 0 HG1 THR A 138 5.085 -9.405 -8.898 1.00 1.84 H new ATOM 0 HG21 THR A 138 6.833 -6.849 -7.604 1.00 1.19 H new ATOM 0 HG22 THR A 138 6.198 -6.887 -5.942 1.00 1.19 H new ATOM 0 HG23 THR A 138 7.370 -8.115 -6.475 1.00 1.19 H new ATOM 2180 N ALA A 139 5.109 -8.681 -3.797 1.00 0.74 N ATOM 2181 CA ALA A 139 4.863 -7.891 -2.585 1.00 0.77 C ATOM 2182 C ALA A 139 5.837 -6.698 -2.523 1.00 1.14 C ATOM 2183 O ALA A 139 7.031 -6.872 -2.276 1.00 1.90 O ATOM 2184 CB ALA A 139 4.997 -8.803 -1.351 1.00 0.87 C ATOM 0 H ALA A 139 5.881 -9.340 -3.697 1.00 0.74 H new ATOM 0 HA ALA A 139 3.852 -7.484 -2.603 1.00 0.77 H new ATOM 0 HB1 ALA A 139 4.815 -8.221 -0.447 1.00 0.87 H new ATOM 0 HB2 ALA A 139 4.268 -9.611 -1.415 1.00 0.87 H new ATOM 0 HB3 ALA A 139 6.002 -9.223 -1.316 1.00 0.87 H new ATOM 2190 N THR A 140 5.362 -5.478 -2.798 1.00 0.65 N ATOM 2191 CA THR A 140 6.175 -4.239 -2.790 1.00 0.68 C ATOM 2192 C THR A 140 5.351 -3.058 -2.279 1.00 0.80 C ATOM 2193 O THR A 140 4.119 -3.118 -2.292 1.00 1.01 O ATOM 2194 CB THR A 140 6.806 -4.022 -4.176 1.00 0.73 C ATOM 2195 OG1 THR A 140 7.745 -5.056 -4.338 1.00 1.06 O ATOM 2196 CG2 THR A 140 7.612 -2.737 -4.374 1.00 0.82 C ATOM 0 H THR A 140 4.385 -5.312 -3.038 1.00 0.65 H new ATOM 0 HA THR A 140 7.005 -4.334 -2.090 1.00 0.68 H new ATOM 0 HB THR A 140 5.971 -3.983 -4.875 1.00 0.73 H new ATOM 0 HG1 THR A 140 8.180 -4.969 -5.212 1.00 1.06 H new ATOM 0 HG21 THR A 140 8.002 -2.705 -5.391 1.00 0.82 H new ATOM 0 HG22 THR A 140 6.968 -1.874 -4.205 1.00 0.82 H new ATOM 0 HG23 THR A 140 8.441 -2.715 -3.667 1.00 0.82 H new ATOM 2204 N THR A 141 6.026 -2.001 -1.810 1.00 0.85 N ATOM 2205 CA THR A 141 5.410 -0.779 -1.290 1.00 0.85 C ATOM 2206 C THR A 141 5.835 0.400 -2.152 1.00 1.16 C ATOM 2207 O THR A 141 7.014 0.564 -2.478 1.00 1.22 O ATOM 2208 CB THR A 141 5.823 -0.522 0.161 1.00 0.98 C ATOM 2209 OG1 THR A 141 5.717 -1.702 0.923 1.00 1.16 O ATOM 2210 CG2 THR A 141 4.978 0.565 0.828 1.00 1.43 C ATOM 0 H THR A 141 7.045 -1.974 -1.782 1.00 0.85 H new ATOM 0 HA THR A 141 4.327 -0.900 -1.319 1.00 0.85 H new ATOM 0 HB THR A 141 6.858 -0.182 0.128 1.00 0.98 H new ATOM 0 HG1 THR A 141 5.987 -1.520 1.847 1.00 1.16 H new ATOM 0 HG21 THR A 141 5.313 0.707 1.855 1.00 1.43 H new ATOM 0 HG22 THR A 141 5.088 1.500 0.278 1.00 1.43 H new ATOM 0 HG23 THR A 141 3.930 0.264 0.826 1.00 1.43 H new ATOM 2218 N PHE A 142 4.868 1.248 -2.475 1.00 0.83 N ATOM 2219 CA PHE A 142 5.015 2.395 -3.357 1.00 0.82 C ATOM 2220 C PHE A 142 4.570 3.648 -2.601 1.00 1.80 C ATOM 2221 O PHE A 142 3.440 3.691 -2.115 1.00 2.09 O ATOM 2222 CB PHE A 142 4.153 2.131 -4.600 1.00 0.77 C ATOM 2223 CG PHE A 142 4.570 0.888 -5.365 1.00 0.92 C ATOM 2224 CD1 PHE A 142 4.059 -0.371 -4.991 1.00 1.80 C ATOM 2225 CD2 PHE A 142 5.514 0.978 -6.401 1.00 2.42 C ATOM 2226 CE1 PHE A 142 4.502 -1.532 -5.644 1.00 1.65 C ATOM 2227 CE2 PHE A 142 5.942 -0.184 -7.067 1.00 2.47 C ATOM 2228 CZ PHE A 142 5.439 -1.437 -6.686 1.00 1.02 C ATOM 0 H PHE A 142 3.919 1.150 -2.113 1.00 0.83 H new ATOM 0 HA PHE A 142 6.047 2.548 -3.672 1.00 0.82 H new ATOM 0 HB2 PHE A 142 3.111 2.030 -4.297 1.00 0.77 H new ATOM 0 HB3 PHE A 142 4.210 2.994 -5.263 1.00 0.77 H new ATOM 0 HD1 PHE A 142 3.326 -0.443 -4.201 1.00 1.80 H new ATOM 0 HD2 PHE A 142 5.912 1.941 -6.686 1.00 2.42 H new ATOM 0 HE1 PHE A 142 4.122 -2.498 -5.345 1.00 1.65 H new ATOM 0 HE2 PHE A 142 6.658 -0.112 -7.872 1.00 2.47 H new ATOM 0 HZ PHE A 142 5.773 -2.329 -7.194 1.00 1.02 H new ATOM 2238 N VAL A 143 5.439 4.655 -2.483 1.00 0.69 N ATOM 2239 CA VAL A 143 5.125 5.880 -1.724 1.00 0.61 C ATOM 2240 C VAL A 143 4.758 6.995 -2.694 1.00 0.86 C ATOM 2241 O VAL A 143 5.500 7.292 -3.635 1.00 1.11 O ATOM 2242 CB VAL A 143 6.258 6.312 -0.773 1.00 0.65 C ATOM 2243 CG1 VAL A 143 5.821 7.511 0.086 1.00 0.65 C ATOM 2244 CG2 VAL A 143 6.633 5.149 0.159 1.00 0.98 C ATOM 0 H VAL A 143 6.369 4.651 -2.902 1.00 0.69 H new ATOM 0 HA VAL A 143 4.273 5.661 -1.080 1.00 0.61 H new ATOM 0 HB VAL A 143 7.117 6.598 -1.380 1.00 0.65 H new ATOM 0 HG11 VAL A 143 6.636 7.799 0.750 1.00 0.65 H new ATOM 0 HG12 VAL A 143 5.567 8.350 -0.562 1.00 0.65 H new ATOM 0 HG13 VAL A 143 4.950 7.235 0.680 1.00 0.65 H new ATOM 0 HG21 VAL A 143 7.434 5.463 0.828 1.00 0.98 H new ATOM 0 HG22 VAL A 143 5.762 4.859 0.747 1.00 0.98 H new ATOM 0 HG23 VAL A 143 6.969 4.300 -0.436 1.00 0.98 H new ATOM 2254 N VAL A 144 3.576 7.559 -2.469 1.00 0.51 N ATOM 2255 CA VAL A 144 2.870 8.421 -3.426 1.00 0.67 C ATOM 2256 C VAL A 144 2.573 9.797 -2.840 1.00 1.02 C ATOM 2257 O VAL A 144 2.017 9.896 -1.751 1.00 0.95 O ATOM 2258 CB VAL A 144 1.544 7.763 -3.872 1.00 0.80 C ATOM 2259 CG1 VAL A 144 0.685 8.693 -4.748 1.00 1.50 C ATOM 2260 CG2 VAL A 144 1.839 6.476 -4.661 1.00 1.72 C ATOM 0 H VAL A 144 3.065 7.430 -1.596 1.00 0.51 H new ATOM 0 HA VAL A 144 3.528 8.548 -4.286 1.00 0.67 H new ATOM 0 HB VAL A 144 0.982 7.542 -2.965 1.00 0.80 H new ATOM 0 HG11 VAL A 144 -0.234 8.179 -5.032 1.00 1.50 H new ATOM 0 HG12 VAL A 144 0.438 9.595 -4.188 1.00 1.50 H new ATOM 0 HG13 VAL A 144 1.241 8.964 -5.645 1.00 1.50 H new ATOM 0 HG21 VAL A 144 0.901 6.017 -4.972 1.00 1.72 H new ATOM 0 HG22 VAL A 144 2.435 6.717 -5.541 1.00 1.72 H new ATOM 0 HG23 VAL A 144 2.391 5.780 -4.029 1.00 1.72 H new ATOM 2270 N LYS A 145 2.875 10.826 -3.638 1.00 1.10 N ATOM 2271 CA LYS A 145 2.430 12.221 -3.498 1.00 1.37 C ATOM 2272 C LYS A 145 2.159 12.814 -4.901 1.00 1.74 C ATOM 2273 O LYS A 145 2.815 12.405 -5.856 1.00 1.95 O ATOM 2274 CB LYS A 145 3.550 13.016 -2.808 1.00 1.52 C ATOM 2275 CG LYS A 145 3.046 14.317 -2.168 1.00 1.73 C ATOM 2276 CD LYS A 145 4.191 15.329 -2.036 1.00 2.23 C ATOM 2277 CE LYS A 145 3.807 16.469 -1.091 1.00 2.20 C ATOM 2278 NZ LYS A 145 4.110 16.097 0.301 1.00 1.85 N ATOM 0 H LYS A 145 3.476 10.701 -4.453 1.00 1.10 H new ATOM 0 HA LYS A 145 1.515 12.272 -2.907 1.00 1.37 H new ATOM 0 HB2 LYS A 145 4.012 12.394 -2.041 1.00 1.52 H new ATOM 0 HB3 LYS A 145 4.325 13.251 -3.537 1.00 1.52 H new ATOM 0 HG2 LYS A 145 2.246 14.741 -2.774 1.00 1.73 H new ATOM 0 HG3 LYS A 145 2.624 14.106 -1.185 1.00 1.73 H new ATOM 0 HD2 LYS A 145 5.084 14.827 -1.663 1.00 2.23 H new ATOM 0 HD3 LYS A 145 4.439 15.733 -3.017 1.00 2.23 H new ATOM 0 HE2 LYS A 145 4.352 17.374 -1.360 1.00 2.20 H new ATOM 0 HE3 LYS A 145 2.745 16.694 -1.193 1.00 2.20 H new ATOM 0 HZ1 LYS A 145 3.909 16.903 0.927 1.00 1.85 H new ATOM 0 HZ2 LYS A 145 3.521 15.286 0.580 1.00 1.85 H new ATOM 0 HZ3 LYS A 145 5.114 15.839 0.381 1.00 1.85 H new ATOM 2292 N GLU A 146 1.251 13.779 -5.061 1.00 1.73 N ATOM 2293 CA GLU A 146 0.975 14.523 -6.311 1.00 1.97 C ATOM 2294 C GLU A 146 0.430 13.675 -7.486 1.00 2.23 C ATOM 2295 O GLU A 146 0.230 14.212 -8.574 1.00 2.54 O ATOM 2296 CB GLU A 146 2.207 15.327 -6.786 1.00 2.13 C ATOM 2297 CG GLU A 146 2.590 16.491 -5.865 1.00 1.88 C ATOM 2298 CD GLU A 146 3.714 17.288 -6.521 1.00 2.17 C ATOM 2299 OE1 GLU A 146 3.457 17.965 -7.538 1.00 3.09 O ATOM 2300 OE2 GLU A 146 4.887 17.089 -6.140 1.00 2.26 O ATOM 0 H GLU A 146 0.655 14.084 -4.291 1.00 1.73 H new ATOM 0 HA GLU A 146 0.169 15.200 -6.028 1.00 1.97 H new ATOM 0 HB2 GLU A 146 3.058 14.651 -6.871 1.00 2.13 H new ATOM 0 HB3 GLU A 146 2.009 15.718 -7.784 1.00 2.13 H new ATOM 0 HG2 GLU A 146 1.726 17.132 -5.688 1.00 1.88 H new ATOM 0 HG3 GLU A 146 2.912 16.114 -4.894 1.00 1.88 H new ATOM 2307 N GLY A 147 0.179 12.370 -7.323 1.00 1.83 N ATOM 2308 CA GLY A 147 -0.050 11.466 -8.463 1.00 1.87 C ATOM 2309 C GLY A 147 1.258 10.998 -9.111 1.00 1.72 C ATOM 2310 O GLY A 147 1.315 10.728 -10.312 1.00 1.83 O ATOM 0 H GLY A 147 0.129 11.914 -6.412 1.00 1.83 H new ATOM 0 HA2 GLY A 147 -0.616 10.598 -8.126 1.00 1.87 H new ATOM 0 HA3 GLY A 147 -0.660 11.975 -9.209 1.00 1.87 H new ATOM 2314 N ARG A 148 2.340 10.901 -8.334 1.00 1.49 N ATOM 2315 CA ARG A 148 3.599 10.285 -8.753 1.00 1.34 C ATOM 2316 C ARG A 148 4.141 9.348 -7.674 1.00 1.53 C ATOM 2317 O ARG A 148 3.950 9.567 -6.481 1.00 1.74 O ATOM 2318 CB ARG A 148 4.666 11.335 -9.060 1.00 1.24 C ATOM 2319 CG ARG A 148 4.181 12.596 -9.780 1.00 2.49 C ATOM 2320 CD ARG A 148 5.395 13.472 -10.078 1.00 2.30 C ATOM 2321 NE ARG A 148 4.973 14.836 -10.436 1.00 2.84 N ATOM 2322 CZ ARG A 148 4.981 15.890 -9.624 1.00 2.66 C ATOM 2323 NH1 ARG A 148 5.633 15.897 -8.481 1.00 2.65 N ATOM 2324 NH2 ARG A 148 4.293 16.965 -9.927 1.00 3.27 N ATOM 0 H ARG A 148 2.365 11.256 -7.378 1.00 1.49 H new ATOM 0 HA ARG A 148 3.379 9.719 -9.658 1.00 1.34 H new ATOM 0 HB2 ARG A 148 5.134 11.634 -8.122 1.00 1.24 H new ATOM 0 HB3 ARG A 148 5.441 10.869 -9.668 1.00 1.24 H new ATOM 0 HG2 ARG A 148 3.667 12.332 -10.704 1.00 2.49 H new ATOM 0 HG3 ARG A 148 3.465 13.136 -9.160 1.00 2.49 H new ATOM 0 HD2 ARG A 148 6.050 13.505 -9.207 1.00 2.30 H new ATOM 0 HD3 ARG A 148 5.972 13.038 -10.894 1.00 2.30 H new ATOM 0 HE ARG A 148 4.646 14.986 -11.390 1.00 2.84 H new ATOM 0 HH11 ARG A 148 6.158 15.073 -8.188 1.00 2.65 H new ATOM 0 HH12 ARG A 148 5.613 16.726 -7.888 1.00 2.65 H new ATOM 0 HH21 ARG A 148 3.748 16.996 -10.789 1.00 3.27 H new ATOM 0 HH22 ARG A 148 4.303 17.770 -9.301 1.00 3.27 H new ATOM 2338 N LEU A 149 4.889 8.339 -8.106 1.00 1.10 N ATOM 2339 CA LEU A 149 5.752 7.544 -7.247 1.00 0.85 C ATOM 2340 C LEU A 149 6.947 8.422 -6.858 1.00 1.01 C ATOM 2341 O LEU A 149 7.708 8.832 -7.731 1.00 1.29 O ATOM 2342 CB LEU A 149 6.164 6.287 -8.034 1.00 0.90 C ATOM 2343 CG LEU A 149 7.177 5.392 -7.301 1.00 1.49 C ATOM 2344 CD1 LEU A 149 6.624 4.862 -5.977 1.00 1.68 C ATOM 2345 CD2 LEU A 149 7.558 4.216 -8.203 1.00 2.64 C ATOM 0 H LEU A 149 4.911 8.047 -9.083 1.00 1.10 H new ATOM 0 HA LEU A 149 5.262 7.217 -6.330 1.00 0.85 H new ATOM 0 HB2 LEU A 149 5.272 5.701 -8.256 1.00 0.90 H new ATOM 0 HB3 LEU A 149 6.590 6.593 -8.989 1.00 0.90 H new ATOM 0 HG LEU A 149 8.054 5.998 -7.073 1.00 1.49 H new ATOM 0 HD11 LEU A 149 7.374 4.235 -5.494 1.00 1.68 H new ATOM 0 HD12 LEU A 149 6.377 5.700 -5.325 1.00 1.68 H new ATOM 0 HD13 LEU A 149 5.727 4.273 -6.167 1.00 1.68 H new ATOM 0 HD21 LEU A 149 8.276 3.579 -7.687 1.00 2.64 H new ATOM 0 HD22 LEU A 149 6.666 3.637 -8.442 1.00 2.64 H new ATOM 0 HD23 LEU A 149 8.004 4.593 -9.124 1.00 2.64 H new ATOM 2357 N VAL A 150 7.092 8.728 -5.567 1.00 0.74 N ATOM 2358 CA VAL A 150 8.201 9.555 -5.038 1.00 0.89 C ATOM 2359 C VAL A 150 9.264 8.726 -4.302 1.00 1.08 C ATOM 2360 O VAL A 150 10.409 9.172 -4.182 1.00 1.28 O ATOM 2361 CB VAL A 150 7.692 10.712 -4.140 1.00 1.07 C ATOM 2362 CG1 VAL A 150 6.894 11.729 -4.977 1.00 1.97 C ATOM 2363 CG2 VAL A 150 6.829 10.238 -2.959 1.00 1.34 C ATOM 0 H VAL A 150 6.443 8.411 -4.847 1.00 0.74 H new ATOM 0 HA VAL A 150 8.681 9.994 -5.913 1.00 0.89 H new ATOM 0 HB VAL A 150 8.583 11.179 -3.720 1.00 1.07 H new ATOM 0 HG11 VAL A 150 6.543 12.535 -4.333 1.00 1.97 H new ATOM 0 HG12 VAL A 150 7.534 12.141 -5.757 1.00 1.97 H new ATOM 0 HG13 VAL A 150 6.039 11.232 -5.435 1.00 1.97 H new ATOM 0 HG21 VAL A 150 6.508 11.100 -2.374 1.00 1.34 H new ATOM 0 HG22 VAL A 150 5.954 9.710 -3.337 1.00 1.34 H new ATOM 0 HG23 VAL A 150 7.413 9.568 -2.328 1.00 1.34 H new ATOM 2373 N LEU A 151 8.921 7.509 -3.853 1.00 0.75 N ATOM 2374 CA LEU A 151 9.820 6.647 -3.083 1.00 0.82 C ATOM 2375 C LEU A 151 9.365 5.178 -3.100 1.00 1.15 C ATOM 2376 O LEU A 151 8.163 4.887 -3.122 1.00 1.25 O ATOM 2377 CB LEU A 151 9.980 7.240 -1.658 1.00 0.96 C ATOM 2378 CG LEU A 151 11.406 7.083 -1.103 1.00 0.87 C ATOM 2379 CD1 LEU A 151 11.901 8.331 -0.367 1.00 1.27 C ATOM 2380 CD2 LEU A 151 11.537 5.864 -0.202 1.00 0.92 C ATOM 0 H LEU A 151 8.003 7.095 -4.017 1.00 0.75 H new ATOM 0 HA LEU A 151 10.805 6.628 -3.549 1.00 0.82 H new ATOM 0 HB2 LEU A 151 9.717 8.298 -1.678 1.00 0.96 H new ATOM 0 HB3 LEU A 151 9.277 6.750 -0.985 1.00 0.96 H new ATOM 0 HG LEU A 151 12.041 6.941 -1.977 1.00 0.87 H new ATOM 0 HD11 LEU A 151 12.912 8.159 0.001 1.00 1.27 H new ATOM 0 HD12 LEU A 151 11.903 9.180 -1.051 1.00 1.27 H new ATOM 0 HD13 LEU A 151 11.240 8.544 0.473 1.00 1.27 H new ATOM 0 HD21 LEU A 151 12.560 5.793 0.167 1.00 0.92 H new ATOM 0 HD22 LEU A 151 10.853 5.960 0.641 1.00 0.92 H new ATOM 0 HD23 LEU A 151 11.292 4.965 -0.768 1.00 0.92 H new ATOM 2392 N LEU A 152 10.325 4.247 -3.126 1.00 0.84 N ATOM 2393 CA LEU A 152 10.069 2.798 -3.145 1.00 0.86 C ATOM 2394 C LEU A 152 10.508 2.118 -1.847 1.00 1.21 C ATOM 2395 O LEU A 152 11.600 2.372 -1.332 1.00 1.25 O ATOM 2396 CB LEU A 152 10.784 2.149 -4.343 1.00 0.97 C ATOM 2397 CG LEU A 152 10.074 2.343 -5.691 1.00 0.76 C ATOM 2398 CD1 LEU A 152 11.013 1.935 -6.833 1.00 0.99 C ATOM 2399 CD2 LEU A 152 8.792 1.498 -5.757 1.00 0.86 C ATOM 0 H LEU A 152 11.318 4.480 -3.135 1.00 0.84 H new ATOM 0 HA LEU A 152 8.992 2.660 -3.241 1.00 0.86 H new ATOM 0 HB2 LEU A 152 11.791 2.560 -4.415 1.00 0.97 H new ATOM 0 HB3 LEU A 152 10.888 1.081 -4.152 1.00 0.97 H new ATOM 0 HG LEU A 152 9.806 3.395 -5.792 1.00 0.76 H new ATOM 0 HD11 LEU A 152 10.506 2.074 -7.788 1.00 0.99 H new ATOM 0 HD12 LEU A 152 11.910 2.553 -6.805 1.00 0.99 H new ATOM 0 HD13 LEU A 152 11.291 0.887 -6.719 1.00 0.99 H new ATOM 0 HD21 LEU A 152 8.305 1.650 -6.720 1.00 0.86 H new ATOM 0 HD22 LEU A 152 9.045 0.444 -5.641 1.00 0.86 H new ATOM 0 HD23 LEU A 152 8.116 1.799 -4.957 1.00 0.86 H new ATOM 2411 N TYR A 153 9.673 1.186 -1.390 1.00 0.85 N ATOM 2412 CA TYR A 153 9.856 0.363 -0.192 1.00 0.82 C ATOM 2413 C TYR A 153 9.460 -1.110 -0.436 1.00 1.18 C ATOM 2414 O TYR A 153 8.862 -1.480 -1.442 1.00 1.65 O ATOM 2415 CB TYR A 153 9.038 0.962 0.973 1.00 0.94 C ATOM 2416 CG TYR A 153 9.835 1.832 1.921 1.00 1.01 C ATOM 2417 CD1 TYR A 153 10.559 1.241 2.974 1.00 1.67 C ATOM 2418 CD2 TYR A 153 9.838 3.227 1.762 1.00 2.24 C ATOM 2419 CE1 TYR A 153 11.337 2.041 3.836 1.00 1.90 C ATOM 2420 CE2 TYR A 153 10.593 4.028 2.636 1.00 2.36 C ATOM 2421 CZ TYR A 153 11.375 3.439 3.654 1.00 1.54 C ATOM 2422 OH TYR A 153 12.185 4.210 4.432 1.00 2.03 O ATOM 0 H TYR A 153 8.800 0.972 -1.872 1.00 0.85 H new ATOM 0 HA TYR A 153 10.915 0.368 0.065 1.00 0.82 H new ATOM 0 HB2 TYR A 153 8.220 1.552 0.560 1.00 0.94 H new ATOM 0 HB3 TYR A 153 8.588 0.147 1.540 1.00 0.94 H new ATOM 0 HD1 TYR A 153 10.518 0.172 3.122 1.00 1.67 H new ATOM 0 HD2 TYR A 153 9.262 3.683 0.971 1.00 2.24 H new ATOM 0 HE1 TYR A 153 11.903 1.584 4.634 1.00 1.90 H new ATOM 0 HE2 TYR A 153 10.575 5.102 2.528 1.00 2.36 H new ATOM 0 HH TYR A 153 12.431 5.023 3.943 1.00 2.03 H new ATOM 2432 N SER A 154 9.761 -1.962 0.534 1.00 1.12 N ATOM 2433 CA SER A 154 9.364 -3.373 0.628 1.00 1.14 C ATOM 2434 C SER A 154 9.487 -3.779 2.115 1.00 1.14 C ATOM 2435 O SER A 154 10.007 -2.958 2.885 1.00 1.28 O ATOM 2436 CB SER A 154 10.182 -4.220 -0.374 1.00 1.46 C ATOM 2437 OG SER A 154 11.572 -4.213 -0.107 1.00 1.51 O ATOM 0 H SER A 154 10.326 -1.674 1.332 1.00 1.12 H new ATOM 0 HA SER A 154 8.329 -3.550 0.334 1.00 1.14 H new ATOM 0 HB2 SER A 154 9.820 -5.248 -0.351 1.00 1.46 H new ATOM 0 HB3 SER A 154 10.011 -3.844 -1.382 1.00 1.46 H new ATOM 0 HG SER A 154 11.801 -4.984 0.453 1.00 1.51 H new ATOM 2443 N PRO A 155 8.985 -4.945 2.577 1.00 0.98 N ATOM 2444 CA PRO A 155 8.795 -5.180 4.010 1.00 1.29 C ATOM 2445 C PRO A 155 10.131 -5.131 4.759 1.00 1.55 C ATOM 2446 O PRO A 155 10.240 -4.456 5.778 1.00 1.60 O ATOM 2447 CB PRO A 155 8.067 -6.527 4.116 1.00 1.51 C ATOM 2448 CG PRO A 155 8.451 -7.246 2.828 1.00 1.34 C ATOM 2449 CD PRO A 155 8.553 -6.108 1.817 1.00 1.06 C ATOM 0 HA PRO A 155 8.197 -4.403 4.487 1.00 1.29 H new ATOM 0 HB2 PRO A 155 8.384 -7.086 4.997 1.00 1.51 H new ATOM 0 HB3 PRO A 155 6.988 -6.394 4.194 1.00 1.51 H new ATOM 0 HG2 PRO A 155 9.395 -7.781 2.930 1.00 1.34 H new ATOM 0 HG3 PRO A 155 7.699 -7.979 2.536 1.00 1.34 H new ATOM 0 HD2 PRO A 155 9.266 -6.348 1.028 1.00 1.06 H new ATOM 0 HD3 PRO A 155 7.593 -5.926 1.334 1.00 1.06 H new ATOM 2457 N ASP A 156 11.197 -5.697 4.191 1.00 1.23 N ATOM 2458 CA ASP A 156 12.536 -5.710 4.779 1.00 1.40 C ATOM 2459 C ASP A 156 13.155 -4.324 5.038 1.00 1.54 C ATOM 2460 O ASP A 156 14.103 -4.193 5.805 1.00 1.93 O ATOM 2461 CB ASP A 156 13.440 -6.508 3.824 1.00 1.58 C ATOM 2462 CG ASP A 156 13.591 -5.801 2.466 1.00 1.83 C ATOM 2463 OD1 ASP A 156 12.595 -5.727 1.700 1.00 2.39 O ATOM 2464 OD2 ASP A 156 14.681 -5.255 2.175 1.00 2.54 O ATOM 0 H ASP A 156 11.152 -6.170 3.288 1.00 1.23 H new ATOM 0 HA ASP A 156 12.450 -6.161 5.768 1.00 1.40 H new ATOM 0 HB2 ASP A 156 14.422 -6.641 4.277 1.00 1.58 H new ATOM 0 HB3 ASP A 156 13.022 -7.503 3.673 1.00 1.58 H new ATOM 2469 N LYS A 157 12.604 -3.287 4.404 1.00 1.25 N ATOM 2470 CA LYS A 157 12.904 -1.881 4.661 1.00 1.27 C ATOM 2471 C LYS A 157 11.837 -1.195 5.534 1.00 1.51 C ATOM 2472 O LYS A 157 12.171 -0.357 6.369 1.00 1.66 O ATOM 2473 CB LYS A 157 13.108 -1.168 3.324 1.00 1.23 C ATOM 2474 CG LYS A 157 14.452 -1.615 2.723 1.00 1.69 C ATOM 2475 CD LYS A 157 14.594 -1.218 1.255 1.00 2.51 C ATOM 2476 CE LYS A 157 13.694 -2.144 0.446 1.00 3.67 C ATOM 2477 NZ LYS A 157 14.320 -3.465 0.194 1.00 4.00 N ATOM 0 H LYS A 157 11.909 -3.411 3.668 1.00 1.25 H new ATOM 0 HA LYS A 157 13.824 -1.820 5.243 1.00 1.27 H new ATOM 0 HB2 LYS A 157 12.292 -1.405 2.641 1.00 1.23 H new ATOM 0 HB3 LYS A 157 13.100 -0.088 3.467 1.00 1.23 H new ATOM 0 HG2 LYS A 157 15.268 -1.174 3.296 1.00 1.69 H new ATOM 0 HG3 LYS A 157 14.546 -2.697 2.815 1.00 1.69 H new ATOM 0 HD2 LYS A 157 14.305 -0.177 1.109 1.00 2.51 H new ATOM 0 HD3 LYS A 157 15.631 -1.310 0.931 1.00 2.51 H new ATOM 0 HE2 LYS A 157 12.753 -2.287 0.977 1.00 3.67 H new ATOM 0 HE3 LYS A 157 13.454 -1.671 -0.506 1.00 3.67 H new ATOM 0 HZ1 LYS A 157 13.605 -4.123 -0.176 1.00 4.00 H new ATOM 0 HZ2 LYS A 157 15.086 -3.359 -0.502 1.00 4.00 H new ATOM 0 HZ3 LYS A 157 14.709 -3.840 1.083 1.00 4.00 H new ATOM 2491 N ALA A 158 10.556 -1.527 5.340 1.00 1.16 N ATOM 2492 CA ALA A 158 9.401 -0.840 5.933 1.00 1.21 C ATOM 2493 C ALA A 158 9.070 -1.270 7.377 1.00 1.33 C ATOM 2494 O ALA A 158 8.621 -0.435 8.163 1.00 1.42 O ATOM 2495 CB ALA A 158 8.198 -1.069 5.008 1.00 1.29 C ATOM 0 H ALA A 158 10.284 -2.309 4.745 1.00 1.16 H new ATOM 0 HA ALA A 158 9.651 0.218 6.016 1.00 1.21 H new ATOM 0 HB1 ALA A 158 7.321 -0.570 5.421 1.00 1.29 H new ATOM 0 HB2 ALA A 158 8.416 -0.662 4.021 1.00 1.29 H new ATOM 0 HB3 ALA A 158 8.002 -2.138 4.924 1.00 1.29 H new ATOM 2501 N GLU A 159 9.304 -2.534 7.747 1.00 1.05 N ATOM 2502 CA GLU A 159 8.954 -3.054 9.079 1.00 1.01 C ATOM 2503 C GLU A 159 9.790 -2.400 10.199 1.00 1.29 C ATOM 2504 O GLU A 159 9.369 -2.342 11.354 1.00 1.48 O ATOM 2505 CB GLU A 159 9.020 -4.596 9.092 1.00 1.02 C ATOM 2506 CG GLU A 159 8.017 -5.188 8.084 1.00 1.35 C ATOM 2507 CD GLU A 159 7.674 -6.665 8.272 1.00 1.62 C ATOM 2508 OE1 GLU A 159 8.465 -7.391 8.911 1.00 2.18 O ATOM 2509 OE2 GLU A 159 6.590 -7.050 7.773 1.00 2.50 O ATOM 0 H GLU A 159 9.740 -3.225 7.136 1.00 1.05 H new ATOM 0 HA GLU A 159 7.922 -2.775 9.293 1.00 1.01 H new ATOM 0 HB2 GLU A 159 10.030 -4.925 8.845 1.00 1.02 H new ATOM 0 HB3 GLU A 159 8.800 -4.967 10.093 1.00 1.02 H new ATOM 0 HG2 GLU A 159 7.094 -4.611 8.138 1.00 1.35 H new ATOM 0 HG3 GLU A 159 8.419 -5.053 7.080 1.00 1.35 H new ATOM 2516 N ALA A 160 10.929 -1.788 9.853 1.00 0.94 N ATOM 2517 CA ALA A 160 11.699 -0.895 10.721 1.00 0.95 C ATOM 2518 C ALA A 160 11.058 0.510 10.839 1.00 1.18 C ATOM 2519 O ALA A 160 11.679 1.503 10.440 1.00 1.25 O ATOM 2520 CB ALA A 160 13.141 -0.845 10.189 1.00 0.96 C ATOM 0 H ALA A 160 11.352 -1.906 8.932 1.00 0.94 H new ATOM 0 HA ALA A 160 11.701 -1.284 11.739 1.00 0.95 H new ATOM 0 HB1 ALA A 160 13.738 -0.185 10.818 1.00 0.96 H new ATOM 0 HB2 ALA A 160 13.569 -1.847 10.204 1.00 0.96 H new ATOM 0 HB3 ALA A 160 13.139 -0.467 9.167 1.00 0.96 H new ATOM 2526 N THR A 161 9.840 0.585 11.406 1.00 1.01 N ATOM 2527 CA THR A 161 8.946 1.766 11.499 1.00 1.13 C ATOM 2528 C THR A 161 9.648 3.119 11.539 1.00 1.29 C ATOM 2529 O THR A 161 9.307 4.015 10.771 1.00 1.53 O ATOM 2530 CB THR A 161 8.082 1.669 12.763 1.00 1.36 C ATOM 2531 OG1 THR A 161 7.358 0.465 12.808 1.00 1.26 O ATOM 2532 CG2 THR A 161 7.064 2.800 12.848 1.00 1.64 C ATOM 0 H THR A 161 9.420 -0.234 11.844 1.00 1.01 H new ATOM 0 HA THR A 161 8.362 1.733 10.579 1.00 1.13 H new ATOM 0 HB THR A 161 8.783 1.727 13.596 1.00 1.36 H new ATOM 0 HG1 THR A 161 6.447 0.619 12.481 1.00 1.26 H new ATOM 0 HG21 THR A 161 6.474 2.691 13.758 1.00 1.64 H new ATOM 0 HG22 THR A 161 7.585 3.758 12.865 1.00 1.64 H new ATOM 0 HG23 THR A 161 6.404 2.761 11.982 1.00 1.64 H new ATOM 2540 N ASP A 162 10.596 3.296 12.458 1.00 1.22 N ATOM 2541 CA ASP A 162 11.151 4.616 12.765 1.00 1.31 C ATOM 2542 C ASP A 162 11.953 5.223 11.596 1.00 1.65 C ATOM 2543 O ASP A 162 12.063 6.441 11.474 1.00 1.69 O ATOM 2544 CB ASP A 162 11.935 4.566 14.084 1.00 1.44 C ATOM 2545 CG ASP A 162 11.398 5.635 15.035 1.00 2.83 C ATOM 2546 OD1 ASP A 162 11.748 6.824 14.858 1.00 4.27 O ATOM 2547 OD2 ASP A 162 10.579 5.310 15.925 1.00 3.20 O ATOM 0 H ASP A 162 10.999 2.537 13.007 1.00 1.22 H new ATOM 0 HA ASP A 162 10.319 5.306 12.904 1.00 1.31 H new ATOM 0 HB2 ASP A 162 11.841 3.580 14.538 1.00 1.44 H new ATOM 0 HB3 ASP A 162 12.996 4.731 13.896 1.00 1.44 H new ATOM 2552 N ARG A 163 12.433 4.400 10.654 1.00 1.42 N ATOM 2553 CA ARG A 163 12.932 4.885 9.374 1.00 1.50 C ATOM 2554 C ARG A 163 11.807 5.437 8.497 1.00 1.62 C ATOM 2555 O ARG A 163 12.019 6.469 7.876 1.00 1.86 O ATOM 2556 CB ARG A 163 13.717 3.764 8.680 1.00 1.55 C ATOM 2557 CG ARG A 163 15.160 3.697 9.202 1.00 2.10 C ATOM 2558 CD ARG A 163 15.354 3.534 10.717 1.00 1.75 C ATOM 2559 NE ARG A 163 16.781 3.517 11.099 1.00 1.98 N ATOM 2560 CZ ARG A 163 17.594 4.565 11.220 1.00 3.07 C ATOM 2561 NH1 ARG A 163 17.264 5.783 10.822 1.00 3.94 N ATOM 2562 NH2 ARG A 163 18.778 4.385 11.769 1.00 3.63 N ATOM 0 H ARG A 163 12.483 3.387 10.763 1.00 1.42 H new ATOM 0 HA ARG A 163 13.607 5.723 9.549 1.00 1.50 H new ATOM 0 HB2 ARG A 163 13.220 2.809 8.850 1.00 1.55 H new ATOM 0 HB3 ARG A 163 13.724 3.933 7.603 1.00 1.55 H new ATOM 0 HG2 ARG A 163 15.660 2.865 8.706 1.00 2.10 H new ATOM 0 HG3 ARG A 163 15.673 4.607 8.892 1.00 2.10 H new ATOM 0 HD2 ARG A 163 14.851 4.350 11.236 1.00 1.75 H new ATOM 0 HD3 ARG A 163 14.881 2.608 11.044 1.00 1.75 H new ATOM 0 HE ARG A 163 17.188 2.602 11.291 1.00 1.98 H new ATOM 0 HH11 ARG A 163 16.351 5.952 10.400 1.00 3.94 H new ATOM 0 HH12 ARG A 163 17.923 6.553 10.937 1.00 3.94 H new ATOM 0 HH21 ARG A 163 19.055 3.458 12.091 1.00 3.63 H new ATOM 0 HH22 ARG A 163 19.417 5.173 11.872 1.00 3.63 H new ATOM 2576 N VAL A 164 10.609 4.843 8.506 1.00 1.47 N ATOM 2577 CA VAL A 164 9.473 5.265 7.658 1.00 1.40 C ATOM 2578 C VAL A 164 8.981 6.675 8.017 1.00 1.61 C ATOM 2579 O VAL A 164 8.705 7.454 7.113 1.00 1.64 O ATOM 2580 CB VAL A 164 8.291 4.258 7.682 1.00 1.35 C ATOM 2581 CG1 VAL A 164 7.213 4.609 6.642 1.00 1.33 C ATOM 2582 CG2 VAL A 164 8.774 2.821 7.413 1.00 1.33 C ATOM 0 H VAL A 164 10.392 4.047 9.106 1.00 1.47 H new ATOM 0 HA VAL A 164 9.861 5.284 6.640 1.00 1.40 H new ATOM 0 HB VAL A 164 7.860 4.323 8.681 1.00 1.35 H new ATOM 0 HG11 VAL A 164 6.406 3.879 6.694 1.00 1.33 H new ATOM 0 HG12 VAL A 164 6.817 5.603 6.850 1.00 1.33 H new ATOM 0 HG13 VAL A 164 7.652 4.594 5.644 1.00 1.33 H new ATOM 0 HG21 VAL A 164 7.923 2.141 7.437 1.00 1.33 H new ATOM 0 HG22 VAL A 164 9.249 2.774 6.433 1.00 1.33 H new ATOM 0 HG23 VAL A 164 9.493 2.529 8.179 1.00 1.33 H new ATOM 2592 N VAL A 165 8.929 7.057 9.303 1.00 1.64 N ATOM 2593 CA VAL A 165 8.568 8.413 9.709 1.00 1.76 C ATOM 2594 C VAL A 165 9.637 9.452 9.357 1.00 1.77 C ATOM 2595 O VAL A 165 9.301 10.576 9.000 1.00 1.95 O ATOM 2596 CB VAL A 165 8.275 8.461 11.214 1.00 1.95 C ATOM 2597 CG1 VAL A 165 7.017 7.658 11.539 1.00 2.41 C ATOM 2598 CG2 VAL A 165 9.413 7.988 12.126 1.00 2.55 C ATOM 0 H VAL A 165 9.136 6.433 10.083 1.00 1.64 H new ATOM 0 HA VAL A 165 7.671 8.673 9.146 1.00 1.76 H new ATOM 0 HB VAL A 165 8.141 9.522 11.427 1.00 1.95 H new ATOM 0 HG11 VAL A 165 6.824 7.703 12.611 1.00 2.41 H new ATOM 0 HG12 VAL A 165 6.168 8.078 10.999 1.00 2.41 H new ATOM 0 HG13 VAL A 165 7.160 6.620 11.239 1.00 2.41 H new ATOM 0 HG21 VAL A 165 9.100 8.063 13.167 1.00 2.55 H new ATOM 0 HG22 VAL A 165 9.658 6.951 11.895 1.00 2.55 H new ATOM 0 HG23 VAL A 165 10.292 8.613 11.965 1.00 2.55 H new ATOM 2608 N ALA A 166 10.915 9.081 9.442 1.00 1.55 N ATOM 2609 CA ALA A 166 12.048 9.937 9.084 1.00 1.45 C ATOM 2610 C ALA A 166 12.180 10.140 7.565 1.00 1.55 C ATOM 2611 O ALA A 166 12.512 11.231 7.119 1.00 1.65 O ATOM 2612 CB ALA A 166 13.286 9.271 9.682 1.00 1.37 C ATOM 0 H ALA A 166 11.198 8.157 9.769 1.00 1.55 H new ATOM 0 HA ALA A 166 11.909 10.942 9.482 1.00 1.45 H new ATOM 0 HB1 ALA A 166 14.169 9.866 9.447 1.00 1.37 H new ATOM 0 HB2 ALA A 166 13.174 9.199 10.764 1.00 1.37 H new ATOM 0 HB3 ALA A 166 13.400 8.272 9.262 1.00 1.37 H new ATOM 2618 N ASP A 167 11.891 9.098 6.788 1.00 1.31 N ATOM 2619 CA ASP A 167 11.729 9.111 5.334 1.00 1.23 C ATOM 2620 C ASP A 167 10.547 10.006 4.913 1.00 1.64 C ATOM 2621 O ASP A 167 10.722 10.931 4.121 1.00 1.62 O ATOM 2622 CB ASP A 167 11.569 7.633 4.956 1.00 1.21 C ATOM 2623 CG ASP A 167 11.624 7.312 3.474 1.00 1.58 C ATOM 2624 OD1 ASP A 167 10.666 7.667 2.760 1.00 2.87 O ATOM 2625 OD2 ASP A 167 12.554 6.552 3.116 1.00 1.75 O ATOM 0 H ASP A 167 11.755 8.166 7.179 1.00 1.31 H new ATOM 0 HA ASP A 167 12.576 9.548 4.806 1.00 1.23 H new ATOM 0 HB2 ASP A 167 12.351 7.064 5.459 1.00 1.21 H new ATOM 0 HB3 ASP A 167 10.615 7.280 5.348 1.00 1.21 H new ATOM 2630 N LEU A 168 9.381 9.833 5.548 1.00 1.42 N ATOM 2631 CA LEU A 168 8.213 10.698 5.342 1.00 1.56 C ATOM 2632 C LEU A 168 8.473 12.163 5.712 1.00 1.99 C ATOM 2633 O LEU A 168 7.987 13.055 5.031 1.00 2.20 O ATOM 2634 CB LEU A 168 7.009 10.167 6.141 1.00 1.70 C ATOM 2635 CG LEU A 168 6.286 8.974 5.486 1.00 1.72 C ATOM 2636 CD1 LEU A 168 5.289 8.394 6.501 1.00 1.74 C ATOM 2637 CD2 LEU A 168 5.538 9.398 4.210 1.00 2.33 C ATOM 0 H LEU A 168 9.221 9.085 6.223 1.00 1.42 H new ATOM 0 HA LEU A 168 7.996 10.673 4.274 1.00 1.56 H new ATOM 0 HB2 LEU A 168 7.349 9.870 7.133 1.00 1.70 H new ATOM 0 HB3 LEU A 168 6.294 10.978 6.279 1.00 1.70 H new ATOM 0 HG LEU A 168 7.026 8.227 5.201 1.00 1.72 H new ATOM 0 HD11 LEU A 168 4.767 7.547 6.055 1.00 1.74 H new ATOM 0 HD12 LEU A 168 5.826 8.062 7.390 1.00 1.74 H new ATOM 0 HD13 LEU A 168 4.566 9.161 6.779 1.00 1.74 H new ATOM 0 HD21 LEU A 168 5.040 8.531 3.775 1.00 2.33 H new ATOM 0 HD22 LEU A 168 4.795 10.156 4.459 1.00 2.33 H new ATOM 0 HD23 LEU A 168 6.248 9.807 3.491 1.00 2.33 H new ATOM 2649 N GLN A 169 9.262 12.437 6.749 1.00 1.65 N ATOM 2650 CA GLN A 169 9.675 13.790 7.127 1.00 1.76 C ATOM 2651 C GLN A 169 10.423 14.542 6.012 1.00 2.06 C ATOM 2652 O GLN A 169 10.360 15.767 5.983 1.00 2.16 O ATOM 2653 CB GLN A 169 10.506 13.700 8.423 1.00 1.83 C ATOM 2654 CG GLN A 169 9.591 13.735 9.661 1.00 2.06 C ATOM 2655 CD GLN A 169 10.284 13.610 11.024 1.00 1.75 C ATOM 2656 OE1 GLN A 169 9.720 13.929 12.058 1.00 2.19 O ATOM 2657 NE2 GLN A 169 11.510 13.145 11.138 1.00 2.36 N ATOM 0 H GLN A 169 9.639 11.714 7.361 1.00 1.65 H new ATOM 0 HA GLN A 169 8.779 14.386 7.299 1.00 1.76 H new ATOM 0 HB2 GLN A 169 11.090 12.780 8.423 1.00 1.83 H new ATOM 0 HB3 GLN A 169 11.214 14.528 8.465 1.00 1.83 H new ATOM 0 HG2 GLN A 169 9.032 14.670 9.646 1.00 2.06 H new ATOM 0 HG3 GLN A 169 8.864 12.928 9.572 1.00 2.06 H new ATOM 0 HE21 GLN A 169 12.028 12.863 10.306 1.00 2.36 H new ATOM 0 HE22 GLN A 169 11.942 13.066 12.059 1.00 2.36 H new ATOM 2666 N ALA A 170 11.111 13.839 5.104 1.00 1.71 N ATOM 2667 CA ALA A 170 11.645 14.394 3.858 1.00 1.76 C ATOM 2668 C ALA A 170 10.627 14.601 2.713 1.00 1.80 C ATOM 2669 O ALA A 170 10.925 15.323 1.759 1.00 2.06 O ATOM 2670 CB ALA A 170 12.767 13.459 3.412 1.00 1.73 C ATOM 0 H ALA A 170 11.315 12.846 5.219 1.00 1.71 H new ATOM 0 HA ALA A 170 11.986 15.407 4.073 1.00 1.76 H new ATOM 0 HB1 ALA A 170 13.201 13.829 2.483 1.00 1.73 H new ATOM 0 HB2 ALA A 170 13.537 13.421 4.183 1.00 1.73 H new ATOM 0 HB3 ALA A 170 12.365 12.459 3.252 1.00 1.73 H new ATOM 2676 N LEU A 171 9.480 13.912 2.756 1.00 1.59 N ATOM 2677 CA LEU A 171 8.490 13.826 1.667 1.00 1.56 C ATOM 2678 C LEU A 171 7.188 14.609 1.915 1.00 1.85 C ATOM 2679 O LEU A 171 6.385 14.730 0.990 1.00 2.07 O ATOM 2680 CB LEU A 171 8.099 12.347 1.472 1.00 1.43 C ATOM 2681 CG LEU A 171 9.183 11.389 0.945 1.00 1.49 C ATOM 2682 CD1 LEU A 171 8.552 9.990 0.873 1.00 1.55 C ATOM 2683 CD2 LEU A 171 9.697 11.803 -0.441 1.00 1.83 C ATOM 0 H LEU A 171 9.202 13.378 3.580 1.00 1.59 H new ATOM 0 HA LEU A 171 8.972 14.268 0.795 1.00 1.56 H new ATOM 0 HB2 LEU A 171 7.747 11.963 2.430 1.00 1.43 H new ATOM 0 HB3 LEU A 171 7.254 12.310 0.784 1.00 1.43 H new ATOM 0 HG LEU A 171 10.043 11.410 1.615 1.00 1.49 H new ATOM 0 HD11 LEU A 171 9.289 9.277 0.503 1.00 1.55 H new ATOM 0 HD12 LEU A 171 8.222 9.688 1.867 1.00 1.55 H new ATOM 0 HD13 LEU A 171 7.696 10.011 0.198 1.00 1.55 H new ATOM 0 HD21 LEU A 171 10.460 11.098 -0.772 1.00 1.83 H new ATOM 0 HD22 LEU A 171 8.870 11.802 -1.151 1.00 1.83 H new ATOM 0 HD23 LEU A 171 10.127 12.803 -0.386 1.00 1.83 H new ATOM 2695 N LEU A 172 6.951 15.040 3.162 1.00 1.64 N ATOM 2696 CA LEU A 172 5.639 15.521 3.671 1.00 1.69 C ATOM 2697 C LEU A 172 4.998 16.720 2.938 1.00 2.06 C ATOM 2698 O LEU A 172 3.740 16.788 2.959 1.00 2.36 O ATOM 2699 CB LEU A 172 5.733 15.705 5.211 1.00 1.74 C ATOM 2700 CG LEU A 172 5.192 14.511 6.020 1.00 2.25 C ATOM 2701 CD1 LEU A 172 5.491 14.695 7.509 1.00 2.44 C ATOM 2702 CD2 LEU A 172 3.681 14.383 5.877 1.00 3.10 C ATOM 2703 OXT LEU A 172 5.669 17.419 2.152 1.00 2.76 O ATOM 0 H LEU A 172 7.682 15.068 3.873 1.00 1.64 H new ATOM 0 HA LEU A 172 4.917 14.740 3.433 1.00 1.69 H new ATOM 0 HB2 LEU A 172 6.775 15.873 5.483 1.00 1.74 H new ATOM 0 HB3 LEU A 172 5.181 16.602 5.494 1.00 1.74 H new ATOM 0 HG LEU A 172 5.682 13.619 5.630 1.00 2.25 H new ATOM 0 HD11 LEU A 172 5.102 13.843 8.066 1.00 2.44 H new ATOM 0 HD12 LEU A 172 6.569 14.765 7.658 1.00 2.44 H new ATOM 0 HD13 LEU A 172 5.016 15.609 7.865 1.00 2.44 H new ATOM 0 HD21 LEU A 172 3.331 13.531 6.460 1.00 3.10 H new ATOM 0 HD22 LEU A 172 3.203 15.292 6.241 1.00 3.10 H new ATOM 0 HD23 LEU A 172 3.426 14.234 4.828 1.00 3.10 H new