USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 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 55 ASN : amide:sc= -4.3! C(o=-5.5!,f=-5.2!) USER MOD Set 1.2: A 59 ASN : amide:sc= -1.16 X(o=-5.5,f=-5.3!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 72:sc= 0.305 USER MOD Single : A 15 MET CE :methyl -141:sc= -0.0443 (180deg=-2.85!) USER MOD Single : A 18 GLN : amide:sc= -1.26 K(o=-1.3,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.88! K(o=-1.9!,f=0.83) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.153 (180deg=-0.836) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0375) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 28 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.01) USER MOD Single : A 31 TYR OH : rot -49:sc= -2.16 USER MOD Single : A 32 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.7!) USER MOD Single : A 35 MET CE :methyl -100:sc= -0.0238 (180deg=-0.457) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.36) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc=-0.00124 (180deg=-0.177) USER MOD Single : A 46 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.67) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc=-0.00607 K(o=-0.0061,f=-1.7!) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00861 USER MOD Single : A 54 HIS : no HD1:sc=-0.00121 X(o=-0.0012,f=-0.064) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.505 (180deg=-0.696) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.42 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -13.019 14.079 1.568 1.00 0.59 N ATOM 78 CA PRO A 5 -11.731 14.419 2.238 1.00 0.58 C ATOM 79 C PRO A 5 -10.623 14.792 1.237 1.00 0.56 C ATOM 80 O PRO A 5 -10.632 14.334 0.111 1.00 0.67 O ATOM 81 CB PRO A 5 -11.390 13.125 2.966 1.00 0.62 C ATOM 82 CG PRO A 5 -11.864 12.062 2.035 1.00 0.73 C ATOM 83 CD PRO A 5 -13.137 12.616 1.378 1.00 0.58 C ATOM 0 HA PRO A 5 -11.814 15.291 2.887 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.320 13.043 3.157 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.892 13.065 3.932 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -11.106 11.832 1.286 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -12.072 11.137 2.572 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -13.190 12.352 0.322 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -14.036 12.222 1.851 1.00 0.58 H new ATOM 91 N PRO A 6 -9.673 15.614 1.626 1.00 0.55 N ATOM 92 CA PRO A 6 -8.554 16.036 0.728 1.00 0.57 C ATOM 93 C PRO A 6 -7.401 15.020 0.652 1.00 0.51 C ATOM 94 O PRO A 6 -6.404 15.265 0.002 1.00 0.70 O ATOM 95 CB PRO A 6 -8.074 17.333 1.382 1.00 0.67 C ATOM 96 CG PRO A 6 -8.284 17.105 2.843 1.00 0.84 C ATOM 97 CD PRO A 6 -9.551 16.249 2.956 1.00 0.68 C ATOM 0 HA PRO A 6 -8.886 16.136 -0.305 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -7.026 17.529 1.156 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.643 18.192 1.027 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.428 16.596 3.286 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.402 18.050 3.373 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.461 15.505 3.747 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.425 16.858 3.189 1.00 0.68 H new ATOM 105 N TYR A 7 -7.506 13.894 1.307 1.00 0.42 N ATOM 106 CA TYR A 7 -6.388 12.905 1.251 1.00 0.36 C ATOM 107 C TYR A 7 -6.216 12.410 -0.187 1.00 0.34 C ATOM 108 O TYR A 7 -7.176 12.174 -0.892 1.00 0.36 O ATOM 109 CB TYR A 7 -6.693 11.703 2.150 1.00 0.34 C ATOM 110 CG TYR A 7 -7.010 12.171 3.555 1.00 0.37 C ATOM 111 CD1 TYR A 7 -6.078 12.930 4.278 1.00 1.10 C ATOM 112 CD2 TYR A 7 -8.247 11.856 4.131 1.00 1.12 C ATOM 113 CE1 TYR A 7 -6.386 13.367 5.572 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.556 12.297 5.421 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.626 13.052 6.143 1.00 0.47 C ATOM 116 OH TYR A 7 -7.930 13.487 7.417 1.00 0.54 O ATOM 0 H TYR A 7 -8.308 13.617 1.873 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.476 13.392 1.595 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.536 11.142 1.746 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.839 11.026 2.168 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -5.124 13.177 3.837 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.965 11.270 3.576 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.667 13.948 6.131 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.513 12.055 5.860 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.829 13.183 7.661 1.00 0.54 H new ATOM 126 N SER A 8 -4.998 12.242 -0.623 1.00 0.35 N ATOM 127 CA SER A 8 -4.764 11.752 -2.009 1.00 0.38 C ATOM 128 C SER A 8 -5.082 10.257 -2.071 1.00 0.32 C ATOM 129 O SER A 8 -5.185 9.593 -1.059 1.00 0.30 O ATOM 130 CB SER A 8 -3.300 11.975 -2.394 1.00 0.46 C ATOM 131 OG SER A 8 -3.042 13.370 -2.473 1.00 1.39 O ATOM 0 H SER A 8 -4.155 12.423 -0.078 1.00 0.35 H new ATOM 0 HA SER A 8 -5.406 12.297 -2.702 1.00 0.38 H new ATOM 0 HB2 SER A 8 -2.644 11.513 -1.656 1.00 0.46 H new ATOM 0 HB3 SER A 8 -3.087 11.499 -3.351 1.00 0.46 H new ATOM 0 HG SER A 8 -2.104 13.516 -2.718 1.00 1.39 H new ATOM 137 N TYR A 9 -5.239 9.720 -3.250 1.00 0.34 N ATOM 138 CA TYR A 9 -5.545 8.267 -3.367 1.00 0.34 C ATOM 139 C TYR A 9 -4.404 7.475 -2.729 1.00 0.35 C ATOM 140 O TYR A 9 -4.621 6.491 -2.049 1.00 0.36 O ATOM 141 CB TYR A 9 -5.689 7.893 -4.846 1.00 0.39 C ATOM 142 CG TYR A 9 -7.056 8.315 -5.342 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.204 7.704 -4.823 1.00 1.32 C ATOM 144 CD2 TYR A 9 -7.177 9.319 -6.311 1.00 1.21 C ATOM 145 CE1 TYR A 9 -9.469 8.092 -5.274 1.00 1.32 C ATOM 146 CE2 TYR A 9 -8.444 9.709 -6.762 1.00 1.23 C ATOM 147 CZ TYR A 9 -9.591 9.094 -6.243 1.00 0.44 C ATOM 148 OH TYR A 9 -10.841 9.480 -6.685 1.00 0.50 O ATOM 0 H TYR A 9 -5.169 10.223 -4.134 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.479 8.035 -2.856 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -4.911 8.381 -5.433 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.559 6.818 -4.975 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.112 6.932 -4.073 1.00 1.32 H new ATOM 0 HD2 TYR A 9 -6.293 9.793 -6.711 1.00 1.21 H new ATOM 0 HE1 TYR A 9 -10.353 7.618 -4.874 1.00 1.32 H new ATOM 0 HE2 TYR A 9 -8.537 10.483 -7.509 1.00 1.23 H new ATOM 0 HH TYR A 9 -10.746 10.187 -7.357 1.00 0.50 H new ATOM 158 N ILE A 10 -3.187 7.899 -2.936 1.00 0.38 N ATOM 159 CA ILE A 10 -2.034 7.173 -2.332 1.00 0.42 C ATOM 160 C ILE A 10 -2.052 7.384 -0.816 1.00 0.38 C ATOM 161 O ILE A 10 -1.778 6.481 -0.050 1.00 0.39 O ATOM 162 CB ILE A 10 -0.721 7.737 -2.886 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.699 7.652 -4.418 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.450 6.935 -2.318 1.00 0.51 C ATOM 165 CD1 ILE A 10 -1.055 6.239 -4.889 1.00 0.96 C ATOM 0 H ILE A 10 -2.942 8.715 -3.496 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.110 6.112 -2.571 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.637 8.784 -2.593 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.406 8.369 -4.837 1.00 0.61 H new ATOM 0 HG13 ILE A 10 0.289 7.925 -4.788 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.387 7.332 -2.709 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.450 7.011 -1.231 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.350 5.889 -2.609 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -1.033 6.202 -5.978 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.332 5.529 -4.487 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -2.053 5.979 -4.537 1.00 0.96 H new ATOM 177 N ALA A 11 -2.365 8.574 -0.379 1.00 0.36 N ATOM 178 CA ALA A 11 -2.391 8.846 1.085 1.00 0.36 C ATOM 179 C ALA A 11 -3.409 7.929 1.761 1.00 0.32 C ATOM 180 O ALA A 11 -3.151 7.373 2.809 1.00 0.32 O ATOM 181 CB ALA A 11 -2.778 10.308 1.327 1.00 0.38 C ATOM 0 H ALA A 11 -2.603 9.368 -0.973 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.403 8.658 1.504 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.797 10.507 2.399 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -2.048 10.961 0.850 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.765 10.498 0.905 1.00 0.38 H new ATOM 187 N LEU A 12 -4.560 7.757 1.174 1.00 0.32 N ATOM 188 CA LEU A 12 -5.571 6.865 1.802 1.00 0.31 C ATOM 189 C LEU A 12 -4.973 5.464 1.919 1.00 0.30 C ATOM 190 O LEU A 12 -5.099 4.804 2.930 1.00 0.32 O ATOM 191 CB LEU A 12 -6.826 6.813 0.926 1.00 0.33 C ATOM 192 CG LEU A 12 -7.549 8.165 0.962 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.693 8.141 -0.056 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.106 8.442 2.371 1.00 0.36 C ATOM 0 H LEU A 12 -4.842 8.191 0.295 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.841 7.242 2.788 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.553 6.565 -0.100 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.493 6.026 1.278 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.845 8.958 0.711 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.215 9.098 -0.039 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.289 7.965 -1.053 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.390 7.343 0.199 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.616 9.405 2.378 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.811 7.657 2.645 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.286 8.460 3.089 1.00 0.36 H new ATOM 206 N ILE A 13 -4.303 5.015 0.894 1.00 0.31 N ATOM 207 CA ILE A 13 -3.675 3.667 0.949 1.00 0.32 C ATOM 208 C ILE A 13 -2.609 3.664 2.046 1.00 0.29 C ATOM 209 O ILE A 13 -2.526 2.753 2.846 1.00 0.30 O ATOM 210 CB ILE A 13 -3.024 3.355 -0.400 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.112 3.216 -1.471 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.241 2.044 -0.301 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.477 3.152 -2.866 1.00 0.49 C ATOM 0 H ILE A 13 -4.164 5.524 0.021 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.430 2.912 1.166 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.345 4.164 -0.670 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -4.699 2.316 -1.289 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -4.798 4.061 -1.414 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -1.778 1.823 -1.263 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.467 2.139 0.461 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -2.919 1.235 -0.031 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.260 3.053 -3.618 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -2.910 4.065 -3.050 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -2.809 2.292 -2.923 1.00 0.49 H new ATOM 225 N THR A 14 -1.791 4.682 2.086 1.00 0.29 N ATOM 226 CA THR A 14 -0.726 4.745 3.126 1.00 0.31 C ATOM 227 C THR A 14 -1.359 4.753 4.519 1.00 0.32 C ATOM 228 O THR A 14 -0.870 4.120 5.434 1.00 0.34 O ATOM 229 CB THR A 14 0.113 6.010 2.933 1.00 0.35 C ATOM 230 OG1 THR A 14 0.712 5.984 1.646 1.00 0.37 O ATOM 231 CG2 THR A 14 1.205 6.080 4.005 1.00 0.39 C ATOM 0 H THR A 14 -1.815 5.473 1.442 1.00 0.29 H new ATOM 0 HA THR A 14 -0.083 3.870 3.030 1.00 0.31 H new ATOM 0 HB THR A 14 -0.530 6.886 3.021 1.00 0.35 H new ATOM 0 HG1 THR A 14 0.025 6.131 0.963 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.798 6.983 3.861 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.744 6.102 4.993 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.850 5.205 3.925 1.00 0.39 H new ATOM 239 N MET A 15 -2.443 5.460 4.692 1.00 0.33 N ATOM 240 CA MET A 15 -3.095 5.497 6.031 1.00 0.37 C ATOM 241 C MET A 15 -3.664 4.114 6.346 1.00 0.34 C ATOM 242 O MET A 15 -3.594 3.639 7.461 1.00 0.36 O ATOM 243 CB MET A 15 -4.232 6.523 6.033 1.00 0.44 C ATOM 244 CG MET A 15 -3.655 7.938 5.960 1.00 0.49 C ATOM 245 SD MET A 15 -5.011 9.136 5.974 1.00 0.67 S ATOM 246 CE MET A 15 -4.010 10.624 5.730 1.00 1.14 C ATOM 0 H MET A 15 -2.903 6.011 3.967 1.00 0.33 H new ATOM 0 HA MET A 15 -2.358 5.780 6.783 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.894 6.347 5.186 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.833 6.412 6.936 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.988 8.116 6.804 1.00 0.49 H new ATOM 0 HG3 MET A 15 -3.060 8.055 5.054 1.00 0.49 H new ATOM 0 HE1 MET A 15 -4.407 11.434 6.342 1.00 1.14 H new ATOM 0 HE2 MET A 15 -2.979 10.421 6.021 1.00 1.14 H new ATOM 0 HE3 MET A 15 -4.040 10.914 4.680 1.00 1.14 H new ATOM 256 N ALA A 16 -4.232 3.467 5.365 1.00 0.32 N ATOM 257 CA ALA A 16 -4.815 2.117 5.596 1.00 0.31 C ATOM 258 C ALA A 16 -3.725 1.157 6.076 1.00 0.29 C ATOM 259 O ALA A 16 -3.889 0.459 7.056 1.00 0.31 O ATOM 260 CB ALA A 16 -5.405 1.599 4.284 1.00 0.31 C ATOM 0 H ALA A 16 -4.317 3.817 4.411 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.595 2.181 6.355 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.835 0.610 4.444 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.183 2.281 3.940 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.619 1.536 3.531 1.00 0.31 H new ATOM 266 N ILE A 17 -2.613 1.117 5.394 1.00 0.27 N ATOM 267 CA ILE A 17 -1.516 0.203 5.817 1.00 0.28 C ATOM 268 C ILE A 17 -1.094 0.588 7.232 1.00 0.30 C ATOM 269 O ILE A 17 -1.005 -0.234 8.121 1.00 0.33 O ATOM 270 CB ILE A 17 -0.325 0.375 4.874 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.764 0.043 3.449 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.796 -0.581 5.291 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.318 0.490 2.459 1.00 0.32 C ATOM 0 H ILE A 17 -2.418 1.677 4.564 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.854 -0.833 5.789 1.00 0.28 H new ATOM 0 HB ILE A 17 0.035 1.403 4.921 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.939 -1.028 3.352 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.706 0.542 3.223 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.646 -0.460 4.620 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.105 -0.356 6.312 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.436 -1.609 5.239 1.00 0.33 H new ATOM 0 HD11 ILE A 17 0.002 0.252 1.443 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.471 1.565 2.549 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.250 -0.029 2.680 1.00 0.32 H new ATOM 285 N GLN A 18 -0.844 1.850 7.438 1.00 0.32 N ATOM 286 CA GLN A 18 -0.438 2.328 8.791 1.00 0.36 C ATOM 287 C GLN A 18 -1.546 2.006 9.796 1.00 0.36 C ATOM 288 O GLN A 18 -1.289 1.620 10.920 1.00 0.38 O ATOM 289 CB GLN A 18 -0.215 3.841 8.752 1.00 0.44 C ATOM 290 CG GLN A 18 1.044 4.154 7.941 1.00 0.51 C ATOM 291 CD GLN A 18 1.267 5.667 7.903 1.00 1.09 C ATOM 292 OE1 GLN A 18 2.340 6.127 7.566 1.00 1.76 O ATOM 293 NE2 GLN A 18 0.292 6.469 8.237 1.00 1.82 N ATOM 0 H GLN A 18 -0.903 2.576 6.724 1.00 0.32 H new ATOM 0 HA GLN A 18 0.485 1.831 9.090 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -1.079 4.335 8.306 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -0.113 4.230 9.765 1.00 0.44 H new ATOM 0 HG2 GLN A 18 1.908 3.660 8.386 1.00 0.51 H new ATOM 0 HG3 GLN A 18 0.942 3.766 6.928 1.00 0.51 H new ATOM 0 HE21 GLN A 18 -0.610 6.085 8.520 1.00 1.82 H new ATOM 0 HE22 GLN A 18 0.432 7.479 8.215 1.00 1.82 H new ATOM 302 N ASN A 19 -2.779 2.173 9.400 1.00 0.37 N ATOM 303 CA ASN A 19 -3.912 1.893 10.328 1.00 0.42 C ATOM 304 C ASN A 19 -4.245 0.400 10.302 1.00 0.43 C ATOM 305 O ASN A 19 -5.135 -0.057 10.992 1.00 0.58 O ATOM 306 CB ASN A 19 -5.140 2.688 9.880 1.00 0.51 C ATOM 307 CG ASN A 19 -4.890 4.185 10.079 1.00 0.84 C ATOM 308 OD1 ASN A 19 -5.656 5.005 9.615 1.00 1.67 O ATOM 309 ND2 ASN A 19 -3.841 4.579 10.749 1.00 1.28 N ATOM 0 H ASN A 19 -3.051 2.492 8.470 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.629 2.184 11.340 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -5.355 2.482 8.831 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -6.014 2.377 10.452 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -3.665 5.575 10.882 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -3.197 3.891 11.139 1.00 1.28 H new ATOM 316 N ALA A 20 -3.543 -0.367 9.514 1.00 0.39 N ATOM 317 CA ALA A 20 -3.832 -1.828 9.457 1.00 0.47 C ATOM 318 C ALA A 20 -3.197 -2.507 10.679 1.00 0.53 C ATOM 319 O ALA A 20 -2.015 -2.348 10.911 1.00 0.63 O ATOM 320 CB ALA A 20 -3.216 -2.418 8.184 1.00 0.49 C ATOM 0 H ALA A 20 -2.786 -0.048 8.910 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.910 -1.991 9.453 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.426 -3.487 8.140 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -3.646 -1.927 7.311 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.138 -2.260 8.195 1.00 0.49 H new ATOM 326 N PRO A 21 -3.943 -3.262 11.460 1.00 0.71 N ATOM 327 CA PRO A 21 -3.380 -3.953 12.654 1.00 0.87 C ATOM 328 C PRO A 21 -1.977 -4.493 12.374 1.00 0.80 C ATOM 329 O PRO A 21 -1.148 -4.604 13.254 1.00 1.04 O ATOM 330 CB PRO A 21 -4.376 -5.087 12.897 1.00 1.10 C ATOM 331 CG PRO A 21 -5.690 -4.524 12.460 1.00 1.29 C ATOM 332 CD PRO A 21 -5.384 -3.550 11.311 1.00 0.94 C ATOM 0 HA PRO A 21 -3.263 -3.295 13.515 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -4.114 -5.976 12.324 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -4.398 -5.379 13.947 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -6.361 -5.316 12.129 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -6.185 -4.010 13.284 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.604 -3.996 10.341 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.982 -2.642 11.387 1.00 0.94 H new ATOM 340 N GLU A 22 -1.709 -4.803 11.136 1.00 0.72 N ATOM 341 CA GLU A 22 -0.363 -5.310 10.748 1.00 0.83 C ATOM 342 C GLU A 22 -0.045 -4.793 9.346 1.00 0.80 C ATOM 343 O GLU A 22 -0.930 -4.478 8.576 1.00 1.16 O ATOM 344 CB GLU A 22 -0.359 -6.841 10.758 1.00 0.98 C ATOM 345 CG GLU A 22 -1.510 -7.370 9.901 1.00 1.51 C ATOM 346 CD GLU A 22 -1.397 -8.891 9.781 1.00 2.01 C ATOM 347 OE1 GLU A 22 -1.082 -9.522 10.777 1.00 2.51 O ATOM 348 OE2 GLU A 22 -1.628 -9.399 8.697 1.00 2.63 O ATOM 0 H GLU A 22 -2.374 -4.725 10.367 1.00 0.72 H new ATOM 0 HA GLU A 22 0.390 -4.961 11.455 1.00 0.83 H new ATOM 0 HB2 GLU A 22 0.591 -7.213 10.376 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -0.457 -7.207 11.780 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -2.466 -7.100 10.349 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.481 -6.913 8.912 1.00 1.51 H new ATOM 355 N LYS A 23 1.207 -4.687 9.012 1.00 0.66 N ATOM 356 CA LYS A 23 1.574 -4.172 7.664 1.00 0.68 C ATOM 357 C LYS A 23 0.982 -5.083 6.585 1.00 0.56 C ATOM 358 O LYS A 23 0.546 -4.624 5.548 1.00 0.59 O ATOM 359 CB LYS A 23 3.100 -4.136 7.530 1.00 0.84 C ATOM 360 CG LYS A 23 3.698 -3.122 8.515 1.00 0.96 C ATOM 361 CD LYS A 23 3.570 -1.694 7.969 1.00 0.79 C ATOM 362 CE LYS A 23 4.370 -0.742 8.861 1.00 1.23 C ATOM 363 NZ LYS A 23 4.229 -1.164 10.284 1.00 2.02 N ATOM 0 H LYS A 23 1.994 -4.934 9.612 1.00 0.66 H new ATOM 0 HA LYS A 23 1.176 -3.165 7.540 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.512 -5.127 7.722 1.00 0.84 H new ATOM 0 HB3 LYS A 23 3.376 -3.869 6.510 1.00 0.84 H new ATOM 0 HG2 LYS A 23 3.188 -3.196 9.475 1.00 0.96 H new ATOM 0 HG3 LYS A 23 4.748 -3.356 8.693 1.00 0.96 H new ATOM 0 HD2 LYS A 23 3.940 -1.649 6.945 1.00 0.79 H new ATOM 0 HD3 LYS A 23 2.522 -1.394 7.943 1.00 0.79 H new ATOM 0 HE2 LYS A 23 5.420 -0.749 8.570 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.012 0.280 8.736 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 4.548 -0.395 10.907 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 3.232 -1.381 10.485 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 4.809 -2.011 10.454 1.00 2.02 H new ATOM 377 N LYS A 24 0.973 -6.368 6.809 1.00 0.49 N ATOM 378 CA LYS A 24 0.419 -7.293 5.779 1.00 0.43 C ATOM 379 C LYS A 24 -1.110 -7.289 5.849 1.00 0.44 C ATOM 380 O LYS A 24 -1.702 -7.825 6.765 1.00 0.75 O ATOM 381 CB LYS A 24 0.934 -8.711 6.047 1.00 0.41 C ATOM 382 CG LYS A 24 2.458 -8.737 5.916 1.00 0.45 C ATOM 383 CD LYS A 24 2.964 -10.156 6.185 1.00 0.50 C ATOM 384 CE LYS A 24 4.489 -10.192 6.056 1.00 0.59 C ATOM 385 NZ LYS A 24 5.107 -9.587 7.270 1.00 1.55 N ATOM 0 H LYS A 24 1.323 -6.816 7.656 1.00 0.49 H new ATOM 0 HA LYS A 24 0.735 -6.964 4.789 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.639 -9.033 7.046 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.486 -9.411 5.341 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.754 -8.416 4.917 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.907 -8.038 6.622 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.666 -10.476 7.184 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.513 -10.853 5.479 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.830 -11.220 5.936 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.802 -9.646 5.166 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 6.136 -9.733 7.245 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.902 -8.568 7.292 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.714 -10.038 8.121 1.00 1.55 H new ATOM 399 N ILE A 25 -1.752 -6.697 4.873 1.00 0.35 N ATOM 400 CA ILE A 25 -3.248 -6.654 4.849 1.00 0.34 C ATOM 401 C ILE A 25 -3.733 -7.032 3.449 1.00 0.31 C ATOM 402 O ILE A 25 -3.029 -6.868 2.473 1.00 0.33 O ATOM 403 CB ILE A 25 -3.740 -5.245 5.202 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.271 -5.235 5.206 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.223 -4.229 4.178 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.774 -3.906 5.775 1.00 0.47 C ATOM 0 H ILE A 25 -1.299 -6.237 4.083 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.644 -7.358 5.582 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.364 -4.971 6.188 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.648 -5.375 4.193 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.649 -6.064 5.804 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.580 -3.233 4.441 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.133 -4.235 4.178 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.588 -4.495 3.186 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.864 -3.900 5.777 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.408 -3.785 6.795 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.408 -3.085 5.159 1.00 0.47 H new ATOM 418 N THR A 26 -4.929 -7.542 3.342 1.00 0.30 N ATOM 419 CA THR A 26 -5.453 -7.938 2.006 1.00 0.31 C ATOM 420 C THR A 26 -5.974 -6.711 1.255 1.00 0.28 C ATOM 421 O THR A 26 -6.355 -5.720 1.845 1.00 0.27 O ATOM 422 CB THR A 26 -6.597 -8.939 2.190 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.607 -8.354 3.000 1.00 0.76 O ATOM 424 CG2 THR A 26 -6.067 -10.206 2.862 1.00 0.81 C ATOM 0 H THR A 26 -5.566 -7.701 4.123 1.00 0.30 H new ATOM 0 HA THR A 26 -4.647 -8.392 1.429 1.00 0.31 H new ATOM 0 HB THR A 26 -7.016 -9.198 1.217 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.342 -8.992 3.118 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.883 -10.917 2.992 1.00 0.81 H new ATOM 0 HG22 THR A 26 -5.293 -10.652 2.238 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.647 -9.953 3.836 1.00 0.81 H new ATOM 432 N LEU A 27 -5.999 -6.783 -0.048 1.00 0.31 N ATOM 433 CA LEU A 27 -6.504 -5.640 -0.860 1.00 0.34 C ATOM 434 C LEU A 27 -7.959 -5.369 -0.469 1.00 0.30 C ATOM 435 O LEU A 27 -8.369 -4.238 -0.282 1.00 0.31 O ATOM 436 CB LEU A 27 -6.388 -6.023 -2.343 1.00 0.44 C ATOM 437 CG LEU A 27 -6.931 -4.922 -3.267 1.00 0.47 C ATOM 438 CD1 LEU A 27 -6.309 -3.567 -2.917 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.586 -5.281 -4.718 1.00 0.68 C ATOM 0 H LEU A 27 -5.689 -7.591 -0.588 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.925 -4.734 -0.682 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.343 -6.218 -2.586 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.935 -6.949 -2.522 1.00 0.44 H new ATOM 0 HG LEU A 27 -8.011 -4.850 -3.140 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.707 -2.801 -3.583 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.550 -3.312 -1.885 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.227 -3.623 -3.034 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.966 -4.507 -5.385 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.504 -5.355 -4.827 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.042 -6.237 -4.975 1.00 0.68 H new ATOM 451 N ASN A 28 -8.737 -6.408 -0.323 1.00 0.30 N ATOM 452 CA ASN A 28 -10.161 -6.233 0.080 1.00 0.31 C ATOM 453 C ASN A 28 -10.231 -5.561 1.455 1.00 0.29 C ATOM 454 O ASN A 28 -11.069 -4.717 1.705 1.00 0.32 O ATOM 455 CB ASN A 28 -10.840 -7.604 0.153 1.00 0.36 C ATOM 456 CG ASN A 28 -11.114 -8.115 -1.262 1.00 0.43 C ATOM 457 OD1 ASN A 28 -10.716 -9.207 -1.616 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.785 -7.364 -2.093 1.00 1.25 N ATOM 0 H ASN A 28 -8.445 -7.375 -0.466 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.669 -5.608 -0.655 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.204 -8.309 0.688 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.773 -7.530 0.711 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.975 -7.694 -3.039 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -12.119 -6.447 -1.796 1.00 1.25 H new ATOM 465 N GLY A 29 -9.359 -5.939 2.349 1.00 0.28 N ATOM 466 CA GLY A 29 -9.368 -5.342 3.715 1.00 0.29 C ATOM 467 C GLY A 29 -9.143 -3.829 3.642 1.00 0.28 C ATOM 468 O GLY A 29 -9.743 -3.070 4.376 1.00 0.29 O ATOM 0 H GLY A 29 -8.636 -6.641 2.191 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.320 -5.551 4.203 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.590 -5.802 4.324 1.00 0.29 H new ATOM 472 N ILE A 30 -8.266 -3.384 2.784 1.00 0.26 N ATOM 473 CA ILE A 30 -7.992 -1.921 2.696 1.00 0.27 C ATOM 474 C ILE A 30 -9.275 -1.165 2.328 1.00 0.27 C ATOM 475 O ILE A 30 -9.551 -0.110 2.862 1.00 0.29 O ATOM 476 CB ILE A 30 -6.902 -1.664 1.647 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.566 -2.197 2.178 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.781 -0.160 1.378 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.497 -2.121 1.084 1.00 0.35 C ATOM 0 H ILE A 30 -7.729 -3.967 2.142 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.645 -1.561 3.665 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.163 -2.171 0.718 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.252 -1.615 3.045 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.684 -3.228 2.511 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.005 0.015 0.632 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.733 0.221 1.008 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.519 0.355 2.302 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.552 -2.502 1.472 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.808 -2.722 0.229 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.369 -1.085 0.771 1.00 0.35 H new ATOM 491 N TYR A 31 -10.062 -1.684 1.424 1.00 0.28 N ATOM 492 CA TYR A 31 -11.317 -0.970 1.045 1.00 0.30 C ATOM 493 C TYR A 31 -12.244 -0.865 2.254 1.00 0.30 C ATOM 494 O TYR A 31 -12.912 0.131 2.450 1.00 0.32 O ATOM 495 CB TYR A 31 -12.037 -1.720 -0.077 1.00 0.36 C ATOM 496 CG TYR A 31 -11.304 -1.495 -1.378 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.241 -0.209 -1.929 1.00 1.36 C ATOM 498 CD2 TYR A 31 -10.688 -2.567 -2.032 1.00 1.20 C ATOM 499 CE1 TYR A 31 -10.562 0.002 -3.131 1.00 1.40 C ATOM 500 CE2 TYR A 31 -10.010 -2.355 -3.234 1.00 1.23 C ATOM 501 CZ TYR A 31 -9.948 -1.071 -3.781 1.00 0.58 C ATOM 502 OH TYR A 31 -9.281 -0.862 -4.963 1.00 0.72 O ATOM 0 H TYR A 31 -9.893 -2.563 0.935 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.054 0.029 0.698 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.079 -2.785 0.151 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.066 -1.371 -0.161 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -11.717 0.619 -1.425 1.00 1.36 H new ATOM 0 HD2 TYR A 31 -10.737 -3.559 -1.607 1.00 1.20 H new ATOM 0 HE1 TYR A 31 -10.512 0.993 -3.557 1.00 1.40 H new ATOM 0 HE2 TYR A 31 -9.534 -3.182 -3.740 1.00 1.23 H new ATOM 0 HH TYR A 31 -9.850 -0.348 -5.573 1.00 0.72 H new ATOM 512 N GLN A 32 -12.300 -1.882 3.064 1.00 0.31 N ATOM 513 CA GLN A 32 -13.197 -1.825 4.249 1.00 0.35 C ATOM 514 C GLN A 32 -12.818 -0.612 5.098 1.00 0.33 C ATOM 515 O GLN A 32 -13.667 0.133 5.546 1.00 0.34 O ATOM 516 CB GLN A 32 -13.022 -3.105 5.070 1.00 0.41 C ATOM 517 CG GLN A 32 -13.937 -3.062 6.293 1.00 1.25 C ATOM 518 CD GLN A 32 -13.863 -4.400 7.029 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.446 -5.393 6.467 1.00 2.35 O ATOM 520 NE2 GLN A 32 -14.240 -4.467 8.277 1.00 2.51 N ATOM 0 H GLN A 32 -11.767 -2.745 2.959 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.236 -1.738 3.931 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.257 -3.976 4.458 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -11.983 -3.208 5.384 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.637 -2.252 6.957 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -14.963 -2.859 5.986 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -14.590 -3.634 8.749 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -14.184 -5.353 8.780 1.00 2.51 H new ATOM 529 N PHE A 33 -11.551 -0.397 5.309 1.00 0.33 N ATOM 530 CA PHE A 33 -11.121 0.779 6.114 1.00 0.35 C ATOM 531 C PHE A 33 -11.597 2.077 5.451 1.00 0.32 C ATOM 532 O PHE A 33 -12.124 2.956 6.100 1.00 0.34 O ATOM 533 CB PHE A 33 -9.595 0.800 6.220 1.00 0.40 C ATOM 534 CG PHE A 33 -9.168 1.997 7.037 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.918 3.221 6.405 1.00 1.23 C ATOM 536 CD2 PHE A 33 -9.030 1.887 8.426 1.00 1.34 C ATOM 537 CE1 PHE A 33 -8.527 4.333 7.161 1.00 1.27 C ATOM 538 CE2 PHE A 33 -8.638 2.999 9.182 1.00 1.37 C ATOM 539 CZ PHE A 33 -8.388 4.222 8.549 1.00 0.63 C ATOM 0 H PHE A 33 -10.794 -0.984 4.959 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.559 0.702 7.109 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.239 -0.119 6.686 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.150 0.846 5.226 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -9.027 3.308 5.334 1.00 1.23 H new ATOM 0 HD2 PHE A 33 -9.226 0.944 8.915 1.00 1.34 H new ATOM 0 HE1 PHE A 33 -8.333 5.277 6.673 1.00 1.27 H new ATOM 0 HE2 PHE A 33 -8.529 2.913 10.253 1.00 1.37 H new ATOM 0 HZ PHE A 33 -8.088 5.080 9.132 1.00 0.63 H new ATOM 549 N ILE A 34 -11.388 2.218 4.169 1.00 0.28 N ATOM 550 CA ILE A 34 -11.795 3.478 3.478 1.00 0.27 C ATOM 551 C ILE A 34 -13.301 3.712 3.610 1.00 0.26 C ATOM 552 O ILE A 34 -13.733 4.787 3.976 1.00 0.27 O ATOM 553 CB ILE A 34 -11.419 3.379 1.994 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.894 3.421 1.865 1.00 0.32 C ATOM 555 CG2 ILE A 34 -12.026 4.549 1.209 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.485 3.076 0.431 1.00 0.59 C ATOM 0 H ILE A 34 -10.953 1.516 3.570 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.277 4.317 3.943 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.807 2.445 1.588 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.525 4.412 2.130 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.441 2.715 2.562 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.750 4.464 0.158 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.112 4.525 1.302 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.648 5.490 1.608 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.399 3.107 0.345 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.840 2.076 0.182 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.924 3.799 -0.257 1.00 0.59 H new ATOM 568 N MET A 35 -14.110 2.735 3.312 1.00 0.27 N ATOM 569 CA MET A 35 -15.576 2.955 3.425 1.00 0.29 C ATOM 570 C MET A 35 -15.958 3.152 4.893 1.00 0.29 C ATOM 571 O MET A 35 -16.781 3.983 5.220 1.00 0.31 O ATOM 572 CB MET A 35 -16.333 1.758 2.842 1.00 0.37 C ATOM 573 CG MET A 35 -16.206 1.772 1.315 1.00 0.44 C ATOM 574 SD MET A 35 -17.142 0.390 0.612 1.00 0.69 S ATOM 575 CE MET A 35 -15.903 -0.913 0.842 1.00 0.47 C ATOM 0 H MET A 35 -13.825 1.807 3.000 1.00 0.27 H new ATOM 0 HA MET A 35 -15.846 3.849 2.863 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.930 0.828 3.243 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.383 1.801 3.131 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.579 2.716 0.918 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.157 1.698 1.027 1.00 0.44 H new ATOM 0 HE1 MET A 35 -15.381 -1.089 -0.099 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.186 -0.603 1.602 1.00 0.47 H new ATOM 0 HE3 MET A 35 -16.396 -1.832 1.161 1.00 0.47 H new ATOM 585 N ASP A 36 -15.370 2.403 5.784 1.00 0.31 N ATOM 586 CA ASP A 36 -15.714 2.568 7.224 1.00 0.37 C ATOM 587 C ASP A 36 -15.173 3.899 7.761 1.00 0.38 C ATOM 588 O ASP A 36 -15.850 4.597 8.490 1.00 0.45 O ATOM 589 CB ASP A 36 -15.119 1.410 8.027 1.00 0.43 C ATOM 590 CG ASP A 36 -15.876 0.121 7.701 1.00 0.51 C ATOM 591 OD1 ASP A 36 -17.011 0.218 7.265 1.00 1.12 O ATOM 592 OD2 ASP A 36 -15.308 -0.941 7.893 1.00 1.17 O ATOM 0 H ASP A 36 -14.671 1.689 5.580 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.799 2.568 7.326 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.062 1.294 7.789 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.184 1.622 9.094 1.00 0.43 H new ATOM 597 N ARG A 37 -13.964 4.259 7.422 1.00 0.39 N ATOM 598 CA ARG A 37 -13.409 5.545 7.936 1.00 0.46 C ATOM 599 C ARG A 37 -14.139 6.721 7.271 1.00 0.45 C ATOM 600 O ARG A 37 -14.442 7.710 7.908 1.00 0.59 O ATOM 601 CB ARG A 37 -11.898 5.612 7.647 1.00 0.53 C ATOM 602 CG ARG A 37 -11.173 6.389 8.754 1.00 1.16 C ATOM 603 CD ARG A 37 -11.760 7.797 8.878 1.00 1.28 C ATOM 604 NE ARG A 37 -10.795 8.673 9.599 1.00 1.77 N ATOM 605 CZ ARG A 37 -10.951 9.968 9.583 1.00 2.16 C ATOM 606 NH1 ARG A 37 -11.964 10.494 8.949 1.00 2.31 N ATOM 607 NH2 ARG A 37 -10.100 10.737 10.204 1.00 3.00 N ATOM 0 H ARG A 37 -13.341 3.724 6.817 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.559 5.604 9.014 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.490 4.604 7.576 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.727 6.094 6.684 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.270 5.861 9.703 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -10.108 6.449 8.530 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -11.969 8.204 7.889 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -12.708 7.762 9.415 1.00 1.28 H new ATOM 0 HE ARG A 37 -10.012 8.260 10.105 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -12.632 9.892 8.467 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -12.087 11.506 8.936 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -9.311 10.326 10.703 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -10.223 11.749 10.191 1.00 3.00 H new ATOM 621 N PHE A 38 -14.425 6.618 5.996 1.00 0.40 N ATOM 622 CA PHE A 38 -15.136 7.724 5.277 1.00 0.41 C ATOM 623 C PHE A 38 -16.357 7.155 4.546 1.00 0.39 C ATOM 624 O PHE A 38 -16.333 6.951 3.351 1.00 0.51 O ATOM 625 CB PHE A 38 -14.194 8.366 4.248 1.00 0.43 C ATOM 626 CG PHE A 38 -12.906 8.782 4.920 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.832 10.008 5.593 1.00 1.47 C ATOM 628 CD2 PHE A 38 -11.786 7.946 4.866 1.00 1.21 C ATOM 629 CE1 PHE A 38 -11.638 10.395 6.213 1.00 1.54 C ATOM 630 CE2 PHE A 38 -10.592 8.333 5.487 1.00 1.27 C ATOM 631 CZ PHE A 38 -10.518 9.558 6.160 1.00 0.82 C ATOM 0 H PHE A 38 -14.195 5.810 5.418 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.452 8.475 6.001 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.984 7.660 3.444 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.674 9.233 3.794 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.696 10.655 5.634 1.00 1.47 H new ATOM 0 HD2 PHE A 38 -11.842 7.002 4.345 1.00 1.21 H new ATOM 0 HE1 PHE A 38 -11.581 11.340 6.733 1.00 1.54 H new ATOM 0 HE2 PHE A 38 -9.728 7.686 5.447 1.00 1.27 H new ATOM 0 HZ PHE A 38 -9.597 9.857 6.638 1.00 0.82 H new ATOM 641 N PRO A 39 -17.423 6.902 5.262 1.00 0.53 N ATOM 642 CA PRO A 39 -18.682 6.352 4.672 1.00 0.55 C ATOM 643 C PRO A 39 -19.100 7.089 3.394 1.00 0.47 C ATOM 644 O PRO A 39 -20.019 6.691 2.707 1.00 0.47 O ATOM 645 CB PRO A 39 -19.709 6.555 5.789 1.00 0.70 C ATOM 646 CG PRO A 39 -18.910 6.487 7.049 1.00 1.21 C ATOM 647 CD PRO A 39 -17.548 7.105 6.716 1.00 0.88 C ATOM 0 HA PRO A 39 -18.574 5.312 4.364 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.216 7.515 5.692 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.479 5.784 5.765 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.401 7.035 7.853 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -18.799 5.456 7.386 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.513 8.162 6.978 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -16.741 6.615 7.260 1.00 0.88 H new ATOM 655 N PHE A 40 -18.426 8.155 3.068 1.00 0.44 N ATOM 656 CA PHE A 40 -18.767 8.917 1.834 1.00 0.42 C ATOM 657 C PHE A 40 -18.618 8.002 0.613 1.00 0.34 C ATOM 658 O PHE A 40 -19.393 8.059 -0.321 1.00 0.36 O ATOM 659 CB PHE A 40 -17.819 10.120 1.723 1.00 0.48 C ATOM 660 CG PHE A 40 -17.870 10.714 0.331 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.997 11.432 -0.086 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.783 10.549 -0.539 1.00 2.20 C ATOM 663 CE1 PHE A 40 -19.040 11.984 -1.371 1.00 3.41 C ATOM 664 CE2 PHE A 40 -16.827 11.101 -1.826 1.00 3.29 C ATOM 665 CZ PHE A 40 -17.955 11.818 -2.241 1.00 3.74 C ATOM 0 H PHE A 40 -17.648 8.535 3.607 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.797 9.272 1.878 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -18.096 10.877 2.457 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.800 9.809 1.954 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.834 11.560 0.585 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.912 9.997 -0.217 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -19.910 12.538 -1.692 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -15.991 10.973 -2.498 1.00 3.29 H new ATOM 0 HZ PHE A 40 -17.989 12.244 -3.233 1.00 3.74 H new ATOM 675 N TYR A 41 -17.609 7.178 0.611 1.00 0.27 N ATOM 676 CA TYR A 41 -17.374 6.269 -0.545 1.00 0.25 C ATOM 677 C TYR A 41 -18.450 5.182 -0.614 1.00 0.29 C ATOM 678 O TYR A 41 -18.682 4.601 -1.654 1.00 0.35 O ATOM 679 CB TYR A 41 -15.985 5.649 -0.396 1.00 0.23 C ATOM 680 CG TYR A 41 -14.965 6.746 -0.584 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.657 7.596 0.482 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.350 6.931 -1.826 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.731 8.629 0.310 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.423 7.964 -2.003 1.00 1.05 C ATOM 685 CZ TYR A 41 -13.113 8.815 -0.934 1.00 0.34 C ATOM 686 OH TYR A 41 -12.201 9.835 -1.106 1.00 0.40 O ATOM 0 H TYR A 41 -16.930 7.094 1.368 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.428 6.836 -1.475 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -15.875 5.190 0.587 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.838 4.861 -1.134 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.135 7.454 1.440 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.591 6.276 -2.650 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.492 9.283 1.135 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -12.947 8.105 -2.962 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.867 9.823 -2.027 1.00 0.40 H new ATOM 696 N ARG A 42 -19.128 4.905 0.468 1.00 0.33 N ATOM 697 CA ARG A 42 -20.193 3.864 0.408 1.00 0.42 C ATOM 698 C ARG A 42 -21.244 4.294 -0.617 1.00 0.44 C ATOM 699 O ARG A 42 -21.762 3.489 -1.365 1.00 0.53 O ATOM 700 CB ARG A 42 -20.865 3.704 1.775 1.00 0.50 C ATOM 701 CG ARG A 42 -19.934 2.962 2.737 1.00 0.58 C ATOM 702 CD ARG A 42 -20.634 2.806 4.089 1.00 0.63 C ATOM 703 NE ARG A 42 -19.744 2.070 5.029 1.00 1.26 N ATOM 704 CZ ARG A 42 -20.023 2.037 6.303 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.082 2.651 6.755 1.00 1.95 N ATOM 706 NH2 ARG A 42 -19.245 1.386 7.123 1.00 2.51 N ATOM 0 H ARG A 42 -18.993 5.347 1.377 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.746 2.912 0.122 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.115 4.684 2.182 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.801 3.155 1.667 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.676 1.984 2.332 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -19.001 3.513 2.858 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -20.881 3.786 4.498 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.573 2.267 3.964 1.00 0.63 H new ATOM 0 HE ARG A 42 -18.915 1.591 4.676 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -21.692 3.157 6.112 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -21.300 2.625 7.751 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -18.419 0.903 6.768 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -19.462 1.360 8.119 1.00 2.51 H new ATOM 720 N GLU A 43 -21.568 5.558 -0.652 1.00 0.42 N ATOM 721 CA GLU A 43 -22.591 6.040 -1.623 1.00 0.48 C ATOM 722 C GLU A 43 -21.972 6.161 -3.016 1.00 0.45 C ATOM 723 O GLU A 43 -22.662 6.374 -3.993 1.00 0.66 O ATOM 724 CB GLU A 43 -23.120 7.409 -1.183 1.00 0.62 C ATOM 725 CG GLU A 43 -23.924 7.264 0.112 1.00 1.27 C ATOM 726 CD GLU A 43 -22.974 7.074 1.298 1.00 1.75 C ATOM 727 OE1 GLU A 43 -21.794 7.337 1.139 1.00 2.28 O ATOM 728 OE2 GLU A 43 -23.444 6.659 2.345 1.00 2.34 O ATOM 0 H GLU A 43 -21.168 6.278 -0.050 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.413 5.325 -1.653 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.289 8.098 -1.031 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.748 7.835 -1.966 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -24.541 8.149 0.268 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -24.600 6.413 0.037 1.00 1.27 H new ATOM 735 N ASN A 44 -20.677 6.028 -3.109 1.00 0.44 N ATOM 736 CA ASN A 44 -19.986 6.135 -4.434 1.00 0.43 C ATOM 737 C ASN A 44 -19.063 4.929 -4.650 1.00 0.37 C ATOM 738 O ASN A 44 -18.106 4.730 -3.931 1.00 0.47 O ATOM 739 CB ASN A 44 -19.148 7.417 -4.466 1.00 0.54 C ATOM 740 CG ASN A 44 -20.059 8.633 -4.283 1.00 1.30 C ATOM 741 OD1 ASN A 44 -21.098 8.728 -4.904 1.00 2.01 O ATOM 742 ND2 ASN A 44 -19.704 9.580 -3.456 1.00 1.97 N ATOM 0 H ASN A 44 -20.059 5.848 -2.318 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.737 6.158 -5.224 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.396 7.391 -3.677 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.614 7.490 -5.413 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -20.300 10.399 -3.332 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -18.831 9.501 -2.934 1.00 1.97 H new ATOM 749 N LYS A 45 -19.341 4.134 -5.652 1.00 0.49 N ATOM 750 CA LYS A 45 -18.492 2.940 -5.955 1.00 0.61 C ATOM 751 C LYS A 45 -17.730 3.197 -7.256 1.00 0.71 C ATOM 752 O LYS A 45 -17.160 2.301 -7.847 1.00 0.97 O ATOM 753 CB LYS A 45 -19.401 1.727 -6.147 1.00 0.76 C ATOM 754 CG LYS A 45 -20.131 1.414 -4.839 1.00 0.74 C ATOM 755 CD LYS A 45 -21.037 0.197 -5.042 1.00 0.93 C ATOM 756 CE LYS A 45 -21.769 -0.119 -3.737 1.00 1.11 C ATOM 757 NZ LYS A 45 -20.806 -0.695 -2.756 1.00 1.68 N ATOM 0 H LYS A 45 -20.132 4.263 -6.283 1.00 0.49 H new ATOM 0 HA LYS A 45 -17.792 2.758 -5.139 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.123 1.924 -6.939 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -18.812 0.865 -6.460 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.410 1.216 -4.046 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -20.723 2.274 -4.525 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -21.757 0.395 -5.836 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.444 -0.662 -5.356 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.220 0.787 -3.332 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -22.580 -0.823 -3.923 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -21.329 -1.111 -1.959 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -20.237 -1.432 -3.220 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -20.178 0.056 -2.404 1.00 1.68 H new ATOM 771 N GLN A 46 -17.750 4.414 -7.716 1.00 0.95 N ATOM 772 CA GLN A 46 -17.069 4.759 -8.997 1.00 1.12 C ATOM 773 C GLN A 46 -15.642 4.206 -9.051 1.00 0.71 C ATOM 774 O GLN A 46 -15.158 3.583 -8.128 1.00 1.16 O ATOM 775 CB GLN A 46 -17.035 6.279 -9.160 1.00 1.90 C ATOM 776 CG GLN A 46 -18.461 6.800 -9.360 1.00 2.64 C ATOM 777 CD GLN A 46 -18.987 6.354 -10.726 1.00 3.38 C ATOM 778 OE1 GLN A 46 -18.298 6.462 -11.721 1.00 3.81 O ATOM 779 NE2 GLN A 46 -20.187 5.850 -10.816 1.00 3.98 N ATOM 0 H GLN A 46 -18.215 5.196 -7.255 1.00 0.95 H new ATOM 0 HA GLN A 46 -17.633 4.303 -9.811 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -16.587 6.740 -8.280 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -16.414 6.551 -10.013 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -19.110 6.424 -8.569 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -18.474 7.888 -9.292 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -20.766 5.759 -9.981 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -20.546 5.547 -11.721 1.00 3.98 H new ATOM 788 N GLY A 47 -14.989 4.426 -10.161 1.00 0.78 N ATOM 789 CA GLY A 47 -13.599 3.926 -10.364 1.00 0.73 C ATOM 790 C GLY A 47 -12.743 4.126 -9.113 1.00 0.54 C ATOM 791 O GLY A 47 -11.685 3.540 -8.992 1.00 0.64 O ATOM 0 H GLY A 47 -15.370 4.943 -10.953 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -13.626 2.867 -10.622 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -13.143 4.448 -11.205 1.00 0.73 H new ATOM 795 N TRP A 48 -13.165 4.935 -8.176 1.00 0.44 N ATOM 796 CA TRP A 48 -12.325 5.125 -6.956 1.00 0.33 C ATOM 797 C TRP A 48 -11.978 3.741 -6.404 1.00 0.31 C ATOM 798 O TRP A 48 -11.032 3.563 -5.669 1.00 0.37 O ATOM 799 CB TRP A 48 -13.089 5.954 -5.907 1.00 0.36 C ATOM 800 CG TRP A 48 -13.977 5.088 -5.061 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.308 4.926 -5.241 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.619 4.273 -3.903 1.00 0.35 C ATOM 803 NE1 TRP A 48 -15.791 4.074 -4.266 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.791 3.644 -3.419 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.409 4.023 -3.230 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.763 2.798 -2.307 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.378 3.173 -2.113 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.553 2.563 -1.652 1.00 0.42 C ATOM 0 H TRP A 48 -14.037 5.463 -8.200 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.412 5.667 -7.203 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.378 6.480 -5.270 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -13.690 6.713 -6.409 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -15.897 5.387 -6.020 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.769 3.797 -4.183 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.498 4.488 -3.575 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.671 2.329 -1.957 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.443 2.988 -1.606 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.522 1.912 -0.791 1.00 0.42 H new ATOM 819 N GLN A 49 -12.753 2.762 -6.771 1.00 0.41 N ATOM 820 CA GLN A 49 -12.500 1.376 -6.295 1.00 0.47 C ATOM 821 C GLN A 49 -11.497 0.695 -7.231 1.00 0.37 C ATOM 822 O GLN A 49 -10.454 0.231 -6.813 1.00 0.38 O ATOM 823 CB GLN A 49 -13.828 0.616 -6.312 1.00 0.65 C ATOM 824 CG GLN A 49 -13.623 -0.814 -5.807 1.00 1.21 C ATOM 825 CD GLN A 49 -14.962 -1.553 -5.833 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.704 -1.522 -4.871 1.00 1.96 O ATOM 827 NE2 GLN A 49 -15.301 -2.227 -6.897 1.00 1.59 N ATOM 0 H GLN A 49 -13.560 2.864 -7.387 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.089 1.386 -5.285 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -14.558 1.130 -5.686 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.233 0.598 -7.324 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -12.896 -1.332 -6.432 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -13.221 -0.801 -4.794 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -14.678 -2.253 -7.704 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.189 -2.728 -6.922 1.00 1.59 H new ATOM 836 N ASN A 50 -11.811 0.630 -8.496 1.00 0.37 N ATOM 837 CA ASN A 50 -10.893 -0.021 -9.473 1.00 0.39 C ATOM 838 C ASN A 50 -9.643 0.843 -9.657 1.00 0.34 C ATOM 839 O ASN A 50 -8.556 0.342 -9.865 1.00 0.39 O ATOM 840 CB ASN A 50 -11.608 -0.167 -10.817 1.00 0.53 C ATOM 841 CG ASN A 50 -12.780 -1.138 -10.665 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.811 -1.932 -9.746 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.755 -1.103 -11.531 1.00 1.28 N ATOM 0 H ASN A 50 -12.671 1.003 -8.898 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.604 -1.004 -9.100 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.967 0.804 -11.158 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.914 -0.533 -11.573 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -14.544 -1.743 -11.437 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.728 -0.436 -12.302 1.00 1.28 H new ATOM 850 N SER A 51 -9.789 2.138 -9.586 1.00 0.31 N ATOM 851 CA SER A 51 -8.609 3.030 -9.764 1.00 0.36 C ATOM 852 C SER A 51 -7.575 2.706 -8.685 1.00 0.37 C ATOM 853 O SER A 51 -6.387 2.672 -8.935 1.00 0.50 O ATOM 854 CB SER A 51 -9.048 4.488 -9.622 1.00 0.38 C ATOM 855 OG SER A 51 -9.917 4.823 -10.695 1.00 1.49 O ATOM 0 H SER A 51 -10.673 2.616 -9.413 1.00 0.31 H new ATOM 0 HA SER A 51 -8.175 2.876 -10.752 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.555 4.636 -8.668 1.00 0.38 H new ATOM 0 HB3 SER A 51 -8.177 5.144 -9.625 1.00 0.38 H new ATOM 0 HG SER A 51 -10.202 5.757 -10.606 1.00 1.49 H new ATOM 861 N ILE A 52 -8.027 2.457 -7.489 1.00 0.33 N ATOM 862 CA ILE A 52 -7.093 2.121 -6.378 1.00 0.43 C ATOM 863 C ILE A 52 -6.305 0.852 -6.732 1.00 0.42 C ATOM 864 O ILE A 52 -5.095 0.817 -6.625 1.00 0.47 O ATOM 865 CB ILE A 52 -7.926 1.903 -5.108 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.363 3.265 -4.546 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.146 1.108 -4.053 1.00 0.64 C ATOM 868 CD1 ILE A 52 -7.186 4.048 -3.944 1.00 0.64 C ATOM 0 H ILE A 52 -9.014 2.472 -7.230 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.379 2.929 -6.216 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.808 1.317 -5.367 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -8.821 3.854 -5.341 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.125 3.113 -3.782 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -7.767 0.972 -3.167 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.875 0.133 -4.459 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.241 1.653 -3.782 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -7.543 5.003 -3.560 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -6.744 3.472 -3.131 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -6.435 4.225 -4.714 1.00 0.64 H new ATOM 880 N ARG A 53 -6.973 -0.190 -7.146 1.00 0.45 N ATOM 881 CA ARG A 53 -6.242 -1.443 -7.494 1.00 0.53 C ATOM 882 C ARG A 53 -5.293 -1.152 -8.655 1.00 0.49 C ATOM 883 O ARG A 53 -4.148 -1.556 -8.651 1.00 0.47 O ATOM 884 CB ARG A 53 -7.242 -2.524 -7.918 1.00 0.76 C ATOM 885 CG ARG A 53 -8.393 -2.572 -6.912 1.00 0.56 C ATOM 886 CD ARG A 53 -9.213 -3.850 -7.104 1.00 0.37 C ATOM 887 NE ARG A 53 -10.565 -3.664 -6.508 1.00 1.42 N ATOM 888 CZ ARG A 53 -11.538 -4.464 -6.844 1.00 1.74 C ATOM 889 NH1 ARG A 53 -11.322 -5.437 -7.685 1.00 1.58 N ATOM 890 NH2 ARG A 53 -12.730 -4.291 -6.339 1.00 2.76 N ATOM 0 H ARG A 53 -7.986 -0.229 -7.258 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.680 -1.793 -6.628 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.625 -2.310 -8.916 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.747 -3.494 -7.968 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -7.999 -2.534 -5.896 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -9.033 -1.699 -7.039 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.300 -4.083 -8.165 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -8.708 -4.693 -6.633 1.00 0.37 H new ATOM 0 HE ARG A 53 -10.729 -2.912 -5.838 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.391 -5.572 -8.080 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -12.084 -6.063 -7.948 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -12.900 -3.530 -5.682 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -13.491 -4.917 -6.602 1.00 2.76 H new ATOM 904 N HIS A 54 -5.760 -0.446 -9.650 1.00 0.52 N ATOM 905 CA HIS A 54 -4.879 -0.121 -10.804 1.00 0.59 C ATOM 906 C HIS A 54 -3.679 0.678 -10.300 1.00 0.53 C ATOM 907 O HIS A 54 -2.557 0.469 -10.716 1.00 0.59 O ATOM 908 CB HIS A 54 -5.650 0.718 -11.823 1.00 0.67 C ATOM 909 CG HIS A 54 -4.748 1.039 -12.983 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.055 0.057 -13.672 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.407 2.228 -13.581 1.00 1.99 C ATOM 912 CE1 HIS A 54 -3.338 0.664 -14.634 1.00 2.38 C ATOM 913 NE2 HIS A 54 -3.516 1.988 -14.623 1.00 2.48 N ATOM 0 H HIS A 54 -6.711 -0.082 -9.712 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.543 -1.043 -11.278 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.529 0.174 -12.170 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.007 1.638 -11.359 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -4.774 3.200 -13.287 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -2.697 0.145 -15.331 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -3.090 2.675 -15.245 1.00 2.48 H new ATOM 921 N ASN A 55 -3.915 1.596 -9.406 1.00 0.46 N ATOM 922 CA ASN A 55 -2.800 2.418 -8.865 1.00 0.50 C ATOM 923 C ASN A 55 -1.825 1.514 -8.108 1.00 0.45 C ATOM 924 O ASN A 55 -0.624 1.677 -8.194 1.00 0.51 O ATOM 925 CB ASN A 55 -3.366 3.480 -7.919 1.00 0.53 C ATOM 926 CG ASN A 55 -2.325 4.577 -7.690 1.00 1.27 C ATOM 927 OD1 ASN A 55 -1.149 4.373 -7.920 1.00 2.07 O ATOM 928 ND2 ASN A 55 -2.711 5.742 -7.247 1.00 1.97 N ATOM 0 H ASN A 55 -4.836 1.813 -9.026 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.273 2.909 -9.683 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -4.274 3.910 -8.342 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -3.642 3.024 -6.968 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -2.026 6.482 -7.094 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -3.698 5.913 -7.054 1.00 1.97 H new ATOM 935 N LEU A 56 -2.326 0.562 -7.366 1.00 0.39 N ATOM 936 CA LEU A 56 -1.411 -0.341 -6.614 1.00 0.39 C ATOM 937 C LEU A 56 -0.493 -1.075 -7.592 1.00 0.44 C ATOM 938 O LEU A 56 0.707 -1.128 -7.406 1.00 0.78 O ATOM 939 CB LEU A 56 -2.219 -1.353 -5.797 1.00 0.44 C ATOM 940 CG LEU A 56 -2.878 -0.651 -4.599 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.860 -1.615 -3.927 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.812 -0.209 -3.575 1.00 0.53 C ATOM 0 H LEU A 56 -3.321 0.373 -7.249 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.806 0.256 -5.932 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.982 -1.814 -6.424 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.568 -2.154 -5.447 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.407 0.233 -4.956 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.330 -1.121 -3.076 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.626 -1.912 -4.643 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.324 -2.499 -3.582 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -2.298 0.286 -2.734 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.268 -1.083 -3.216 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -1.116 0.482 -4.050 1.00 0.53 H new ATOM 954 N SER A 57 -1.038 -1.633 -8.636 1.00 0.55 N ATOM 955 CA SER A 57 -0.181 -2.348 -9.624 1.00 0.61 C ATOM 956 C SER A 57 0.793 -1.355 -10.254 1.00 0.64 C ATOM 957 O SER A 57 1.944 -1.656 -10.498 1.00 0.69 O ATOM 958 CB SER A 57 -1.058 -2.928 -10.732 1.00 0.71 C ATOM 959 OG SER A 57 -1.993 -3.837 -10.170 1.00 1.60 O ATOM 0 H SER A 57 -2.036 -1.626 -8.848 1.00 0.55 H new ATOM 0 HA SER A 57 0.363 -3.146 -9.119 1.00 0.61 H new ATOM 0 HB2 SER A 57 -1.582 -2.126 -11.253 1.00 0.71 H new ATOM 0 HB3 SER A 57 -0.439 -3.437 -11.471 1.00 0.71 H new ATOM 0 HG SER A 57 -2.557 -4.208 -10.881 1.00 1.60 H new ATOM 965 N LEU A 58 0.316 -0.176 -10.536 1.00 0.65 N ATOM 966 CA LEU A 58 1.178 0.853 -11.177 1.00 0.73 C ATOM 967 C LEU A 58 2.298 1.270 -10.224 1.00 0.69 C ATOM 968 O LEU A 58 3.458 1.289 -10.588 1.00 0.76 O ATOM 969 CB LEU A 58 0.304 2.067 -11.513 1.00 0.81 C ATOM 970 CG LEU A 58 0.888 2.851 -12.691 1.00 0.95 C ATOM 971 CD1 LEU A 58 -0.127 3.906 -13.134 1.00 1.38 C ATOM 972 CD2 LEU A 58 2.197 3.537 -12.277 1.00 1.31 C ATOM 0 H LEU A 58 -0.642 0.121 -10.348 1.00 0.65 H new ATOM 0 HA LEU A 58 1.630 0.449 -12.083 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.706 1.737 -11.756 1.00 0.81 H new ATOM 0 HB3 LEU A 58 0.226 2.717 -10.641 1.00 0.81 H new ATOM 0 HG LEU A 58 1.099 2.166 -13.513 1.00 0.95 H new ATOM 0 HD11 LEU A 58 0.278 4.471 -13.973 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.051 3.416 -13.439 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -0.332 4.584 -12.305 1.00 1.38 H new ATOM 0 HD21 LEU A 58 2.601 4.091 -13.124 1.00 1.31 H new ATOM 0 HD22 LEU A 58 2.003 4.224 -11.453 1.00 1.31 H new ATOM 0 HD23 LEU A 58 2.918 2.784 -11.959 1.00 1.31 H new ATOM 984 N ASN A 59 1.970 1.609 -9.008 1.00 0.62 N ATOM 985 CA ASN A 59 3.041 2.028 -8.067 1.00 0.61 C ATOM 986 C ASN A 59 3.884 0.809 -7.711 1.00 0.56 C ATOM 987 O ASN A 59 3.412 -0.156 -7.143 1.00 0.52 O ATOM 988 CB ASN A 59 2.427 2.634 -6.802 1.00 0.64 C ATOM 989 CG ASN A 59 1.972 4.066 -7.093 1.00 0.83 C ATOM 990 OD1 ASN A 59 2.299 4.622 -8.124 1.00 1.42 O ATOM 991 ND2 ASN A 59 1.235 4.697 -6.222 1.00 1.29 N ATOM 0 H ASN A 59 1.022 1.614 -8.631 1.00 0.62 H new ATOM 0 HA ASN A 59 3.669 2.785 -8.538 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.581 2.032 -6.471 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.157 2.630 -5.992 1.00 0.64 H new ATOM 0 HD21 ASN A 59 0.934 5.654 -6.406 1.00 1.29 H new ATOM 0 HD22 ASN A 59 0.959 4.234 -5.356 1.00 1.29 H new ATOM 998 N GLU A 60 5.137 0.854 -8.060 1.00 0.62 N ATOM 999 CA GLU A 60 6.050 -0.283 -7.776 1.00 0.65 C ATOM 1000 C GLU A 60 6.685 -0.063 -6.404 1.00 0.58 C ATOM 1001 O GLU A 60 7.437 -0.877 -5.907 1.00 0.55 O ATOM 1002 CB GLU A 60 7.118 -0.306 -8.866 1.00 0.84 C ATOM 1003 CG GLU A 60 6.424 -0.469 -10.222 1.00 0.97 C ATOM 1004 CD GLU A 60 7.462 -0.390 -11.342 1.00 1.52 C ATOM 1005 OE1 GLU A 60 8.601 -0.069 -11.046 1.00 2.02 O ATOM 1006 OE2 GLU A 60 7.100 -0.649 -12.478 1.00 2.17 O ATOM 0 H GLU A 60 5.573 1.643 -8.537 1.00 0.62 H new ATOM 0 HA GLU A 60 5.517 -1.234 -7.768 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.699 0.616 -8.846 1.00 0.84 H new ATOM 0 HB3 GLU A 60 7.815 -1.126 -8.696 1.00 0.84 H new ATOM 0 HG2 GLU A 60 5.903 -1.425 -10.262 1.00 0.97 H new ATOM 0 HG3 GLU A 60 5.673 0.310 -10.353 1.00 0.97 H new ATOM 1013 N CYS A 61 6.369 1.044 -5.791 1.00 0.62 N ATOM 1014 CA CYS A 61 6.922 1.355 -4.447 1.00 0.65 C ATOM 1015 C CYS A 61 6.497 0.263 -3.461 1.00 0.53 C ATOM 1016 O CYS A 61 7.256 -0.144 -2.604 1.00 0.57 O ATOM 1017 CB CYS A 61 6.384 2.712 -3.987 1.00 0.78 C ATOM 1018 SG CYS A 61 7.038 4.007 -5.069 1.00 1.56 S ATOM 0 H CYS A 61 5.743 1.754 -6.171 1.00 0.62 H new ATOM 0 HA CYS A 61 8.010 1.394 -4.491 1.00 0.65 H new ATOM 0 HB2 CYS A 61 5.294 2.713 -4.015 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.676 2.902 -2.954 1.00 0.78 H new ATOM 0 HG CYS A 61 6.583 5.163 -4.686 1.00 1.56 H new ATOM 1024 N PHE A 62 5.284 -0.208 -3.574 1.00 0.46 N ATOM 1025 CA PHE A 62 4.799 -1.266 -2.643 1.00 0.40 C ATOM 1026 C PHE A 62 5.362 -2.622 -3.076 1.00 0.44 C ATOM 1027 O PHE A 62 5.609 -2.856 -4.243 1.00 0.55 O ATOM 1028 CB PHE A 62 3.270 -1.322 -2.697 1.00 0.44 C ATOM 1029 CG PHE A 62 2.710 0.066 -2.489 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.811 0.678 -1.235 1.00 1.29 C ATOM 1031 CD2 PHE A 62 2.090 0.741 -3.549 1.00 1.27 C ATOM 1032 CE1 PHE A 62 2.293 1.963 -1.039 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.572 2.026 -3.352 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.673 2.638 -2.097 1.00 0.59 C ATOM 0 H PHE A 62 4.607 0.096 -4.273 1.00 0.46 H new ATOM 0 HA PHE A 62 5.128 -1.037 -1.629 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.943 -1.718 -3.659 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.892 -1.997 -1.929 1.00 0.44 H new ATOM 0 HD1 PHE A 62 3.289 0.158 -0.418 1.00 1.29 H new ATOM 0 HD2 PHE A 62 2.012 0.270 -4.518 1.00 1.27 H new ATOM 0 HE1 PHE A 62 2.372 2.434 -0.071 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.094 2.546 -4.169 1.00 1.32 H new ATOM 0 HZ PHE A 62 1.273 3.630 -1.945 1.00 0.59 H new ATOM 1044 N VAL A 63 5.565 -3.517 -2.142 1.00 0.46 N ATOM 1045 CA VAL A 63 6.112 -4.871 -2.475 1.00 0.55 C ATOM 1046 C VAL A 63 5.024 -5.925 -2.268 1.00 0.45 C ATOM 1047 O VAL A 63 4.435 -6.024 -1.209 1.00 0.45 O ATOM 1048 CB VAL A 63 7.293 -5.180 -1.553 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.834 -6.576 -1.868 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.399 -4.148 -1.780 1.00 0.91 C ATOM 0 H VAL A 63 5.373 -3.367 -1.152 1.00 0.46 H new ATOM 0 HA VAL A 63 6.442 -4.885 -3.514 1.00 0.55 H new ATOM 0 HB VAL A 63 6.963 -5.141 -0.515 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.676 -6.797 -1.211 1.00 0.85 H new ATOM 0 HG12 VAL A 63 7.048 -7.315 -1.711 1.00 0.85 H new ATOM 0 HG13 VAL A 63 8.164 -6.612 -2.906 1.00 0.85 H new ATOM 0 HG21 VAL A 63 9.241 -4.367 -1.124 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.728 -4.190 -2.818 1.00 0.91 H new ATOM 0 HG23 VAL A 63 8.017 -3.151 -1.560 1.00 0.91 H new ATOM 1060 N LYS A 64 4.753 -6.718 -3.268 1.00 0.53 N ATOM 1061 CA LYS A 64 3.706 -7.768 -3.124 1.00 0.56 C ATOM 1062 C LYS A 64 4.244 -8.845 -2.174 1.00 0.54 C ATOM 1063 O LYS A 64 5.403 -9.205 -2.236 1.00 0.77 O ATOM 1064 CB LYS A 64 3.409 -8.415 -4.489 1.00 0.84 C ATOM 1065 CG LYS A 64 3.226 -7.349 -5.585 1.00 0.94 C ATOM 1066 CD LYS A 64 1.789 -6.791 -5.579 1.00 1.11 C ATOM 1067 CE LYS A 64 0.934 -7.501 -6.638 1.00 1.05 C ATOM 1068 NZ LYS A 64 0.971 -8.974 -6.414 1.00 1.81 N ATOM 0 H LYS A 64 5.211 -6.684 -4.179 1.00 0.53 H new ATOM 0 HA LYS A 64 2.789 -7.323 -2.737 1.00 0.56 H new ATOM 0 HB2 LYS A 64 4.225 -9.084 -4.762 1.00 0.84 H new ATOM 0 HB3 LYS A 64 2.508 -9.024 -4.417 1.00 0.84 H new ATOM 0 HG2 LYS A 64 3.936 -6.537 -5.429 1.00 0.94 H new ATOM 0 HG3 LYS A 64 3.447 -7.783 -6.560 1.00 0.94 H new ATOM 0 HD2 LYS A 64 1.344 -6.926 -4.593 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.808 -5.719 -5.776 1.00 1.11 H new ATOM 0 HE2 LYS A 64 -0.094 -7.142 -6.588 1.00 1.05 H new ATOM 0 HE3 LYS A 64 1.306 -7.266 -7.635 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 0.275 -9.437 -7.033 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 1.922 -9.334 -6.632 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 0.742 -9.180 -5.421 1.00 1.81 H new ATOM 1082 N VAL A 65 3.419 -9.363 -1.300 1.00 0.50 N ATOM 1083 CA VAL A 65 3.884 -10.422 -0.347 1.00 0.57 C ATOM 1084 C VAL A 65 2.855 -11.557 -0.307 1.00 0.63 C ATOM 1085 O VAL A 65 2.085 -11.669 0.626 1.00 0.84 O ATOM 1086 CB VAL A 65 4.053 -9.815 1.060 1.00 0.69 C ATOM 1087 CG1 VAL A 65 5.480 -9.285 1.238 1.00 1.28 C ATOM 1088 CG2 VAL A 65 3.070 -8.658 1.236 1.00 0.69 C ATOM 0 H VAL A 65 2.439 -9.098 -1.203 1.00 0.50 H new ATOM 0 HA VAL A 65 4.843 -10.818 -0.680 1.00 0.57 H new ATOM 0 HB VAL A 65 3.859 -10.588 1.803 1.00 0.69 H new ATOM 0 HG11 VAL A 65 5.588 -8.859 2.235 1.00 1.28 H new ATOM 0 HG12 VAL A 65 6.190 -10.103 1.114 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.678 -8.516 0.491 1.00 1.28 H new ATOM 0 HG21 VAL A 65 3.189 -8.228 2.231 1.00 0.69 H new ATOM 0 HG22 VAL A 65 3.269 -7.894 0.484 1.00 0.69 H new ATOM 0 HG23 VAL A 65 2.051 -9.026 1.119 1.00 0.69 H new ATOM 1098 N PRO A 66 2.852 -12.399 -1.305 1.00 0.81 N ATOM 1099 CA PRO A 66 1.911 -13.554 -1.375 1.00 0.96 C ATOM 1100 C PRO A 66 1.998 -14.427 -0.121 1.00 0.95 C ATOM 1101 O PRO A 66 2.892 -14.279 0.689 1.00 1.13 O ATOM 1102 CB PRO A 66 2.375 -14.333 -2.615 1.00 1.25 C ATOM 1103 CG PRO A 66 3.088 -13.327 -3.459 1.00 1.65 C ATOM 1104 CD PRO A 66 3.739 -12.348 -2.479 1.00 1.18 C ATOM 0 HA PRO A 66 0.870 -13.235 -1.437 1.00 0.96 H new ATOM 0 HB2 PRO A 66 3.035 -15.156 -2.340 1.00 1.25 H new ATOM 0 HB3 PRO A 66 1.529 -14.767 -3.148 1.00 1.25 H new ATOM 0 HG2 PRO A 66 3.837 -13.806 -4.089 1.00 1.65 H new ATOM 0 HG3 PRO A 66 2.394 -12.812 -4.124 1.00 1.65 H new ATOM 0 HD2 PRO A 66 4.756 -12.648 -2.227 1.00 1.18 H new ATOM 0 HD3 PRO A 66 3.797 -11.342 -2.895 1.00 1.18 H new ATOM 1265 N TYR A 77 -1.147 -10.317 0.426 1.00 0.60 N ATOM 1266 CA TYR A 77 -1.143 -9.175 1.382 1.00 0.46 C ATOM 1267 C TYR A 77 -0.307 -8.040 0.782 1.00 0.38 C ATOM 1268 O TYR A 77 0.267 -8.182 -0.280 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.526 -9.599 2.721 1.00 0.65 C ATOM 1270 CG TYR A 77 -1.113 -10.914 3.207 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.503 -11.115 3.237 1.00 1.39 C ATOM 1272 CD2 TYR A 77 -0.257 -11.935 3.647 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -3.026 -12.329 3.701 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.783 -13.146 4.109 1.00 1.32 C ATOM 1275 CZ TYR A 77 -2.167 -13.343 4.136 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.685 -14.538 4.594 1.00 0.90 O ATOM 0 HA TYR A 77 -2.168 -8.847 1.556 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.554 -9.699 2.611 1.00 0.65 H new ATOM 0 HB3 TYR A 77 -0.700 -8.823 3.466 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -3.169 -10.333 2.902 1.00 1.39 H new ATOM 0 HD2 TYR A 77 0.812 -11.785 3.629 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -4.095 -12.482 3.723 1.00 1.38 H new ATOM 0 HE2 TYR A 77 -0.120 -13.929 4.445 1.00 1.32 H new ATOM 0 HH TYR A 77 -1.952 -15.133 4.856 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.236 -6.917 1.447 1.00 0.32 N ATOM 1287 CA TRP A 78 0.564 -5.766 0.920 1.00 0.31 C ATOM 1288 C TRP A 78 1.336 -5.112 2.068 1.00 0.32 C ATOM 1289 O TRP A 78 0.900 -5.117 3.203 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.382 -4.736 0.303 1.00 0.34 C ATOM 1291 CG TRP A 78 -0.924 -5.267 -0.984 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -1.858 -6.239 -1.096 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.584 -4.864 -2.341 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.106 -6.464 -2.437 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.346 -5.641 -3.245 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.304 -3.912 -2.870 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.230 -5.478 -4.626 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.422 -3.743 -4.256 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.342 -4.524 -5.133 1.00 0.46 C ATOM 0 H TRP A 78 -0.700 -6.744 2.339 1.00 0.32 H new ATOM 0 HA TRP A 78 1.264 -6.125 0.166 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.198 -4.518 0.991 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.147 -3.799 0.128 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.332 -6.754 -0.273 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -2.770 -7.154 -2.788 1.00 0.46 H new ATOM 0 HE3 TRP A 78 0.900 -3.306 -2.203 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.821 -6.083 -5.297 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.106 -3.006 -4.651 1.00 0.45 H new ATOM 0 HH2 TRP A 78 -0.245 -4.389 -6.200 1.00 0.46 H new ATOM 1310 N THR A 79 2.479 -4.542 1.786 1.00 0.33 N ATOM 1311 CA THR A 79 3.270 -3.885 2.865 1.00 0.37 C ATOM 1312 C THR A 79 4.216 -2.844 2.261 1.00 0.40 C ATOM 1313 O THR A 79 4.550 -2.891 1.094 1.00 0.45 O ATOM 1314 CB THR A 79 4.090 -4.939 3.614 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.793 -4.319 4.680 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.086 -5.593 2.654 1.00 0.56 C ATOM 0 H THR A 79 2.897 -4.504 0.856 1.00 0.33 H new ATOM 0 HA THR A 79 2.586 -3.392 3.556 1.00 0.37 H new ATOM 0 HB THR A 79 3.422 -5.702 4.014 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.317 -4.993 5.162 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.669 -6.343 3.189 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.544 -6.070 1.837 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.756 -4.833 2.251 1.00 0.56 H new ATOM 1324 N LEU A 80 4.662 -1.912 3.060 1.00 0.45 N ATOM 1325 CA LEU A 80 5.601 -0.870 2.556 1.00 0.53 C ATOM 1326 C LEU A 80 6.985 -1.503 2.389 1.00 0.74 C ATOM 1327 O LEU A 80 7.209 -2.625 2.794 1.00 1.42 O ATOM 1328 CB LEU A 80 5.685 0.276 3.569 1.00 0.54 C ATOM 1329 CG LEU A 80 4.331 0.989 3.680 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.347 1.909 4.903 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.057 1.827 2.421 1.00 0.81 C ATOM 0 H LEU A 80 4.414 -1.828 4.046 1.00 0.45 H new ATOM 0 HA LEU A 80 5.248 -0.479 1.601 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.980 -0.112 4.544 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.453 0.986 3.263 1.00 0.54 H new ATOM 0 HG LEU A 80 3.546 0.240 3.782 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.387 2.419 4.987 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.524 1.317 5.801 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.141 2.647 4.793 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.092 2.325 2.518 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.841 2.575 2.304 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.043 1.176 1.547 1.00 0.81 H new