USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 Single : A 9 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.732) USER MOD Single : A 13 TYR OH : rot 152:sc= 0.0993 USER MOD Single : A 18 CYS SG : rot 180:sc=-0.00268 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -1.58! USER MOD Single : A 24 MET CE :methyl -113:sc= -0.389 (180deg=-2.16) USER MOD Single : A 27 SER OG : rot 77:sc= 0.822 USER MOD Single : A 32 GLN : amide:sc= 0.156 K(o=0.16,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.73! C(o=-0.73!,f=-13!) USER MOD Single : A 49 HIS : no HD1:sc=-0.000794 X(o=-0.00079,f=-0.0081) USER MOD Single : A 51 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0623 F(o=-1,f=-0.062) USER MOD Single : A 68 LYS NZ :NH3+ -123:sc=0.000718 (180deg=0) USER MOD Single : A 71 CYS SG : rot 87:sc= 0.717 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 120:sc= -1.89 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 6 3.296 17.502 2.825 1.00 43.33 N ATOM 73 CA GLU A 6 4.426 16.657 2.513 1.00 14.31 C ATOM 74 C GLU A 6 3.945 15.243 2.218 1.00 24.42 C ATOM 75 O GLU A 6 2.846 14.865 2.626 1.00 71.04 O ATOM 76 CB GLU A 6 5.419 16.711 3.674 1.00 45.31 C ATOM 77 CG GLU A 6 5.836 18.139 3.990 1.00 11.13 C ATOM 78 CD GLU A 6 6.934 18.237 5.024 1.00 24.33 C ATOM 79 OE1 GLU A 6 8.122 18.150 4.640 1.00 12.05 O ATOM 80 OE2 GLU A 6 6.618 18.427 6.214 1.00 73.20 O ATOM 0 HA GLU A 6 4.939 17.010 1.619 1.00 14.31 H new ATOM 0 HB2 GLU A 6 4.970 16.259 4.558 1.00 45.31 H new ATOM 0 HB3 GLU A 6 6.301 16.120 3.427 1.00 45.31 H new ATOM 0 HG2 GLU A 6 6.170 18.622 3.072 1.00 11.13 H new ATOM 0 HG3 GLU A 6 4.966 18.692 4.343 1.00 11.13 H new ATOM 85 N PRO A 7 4.749 14.442 1.499 1.00 62.32 N ATOM 86 CA PRO A 7 4.308 13.146 0.970 1.00 44.31 C ATOM 87 C PRO A 7 3.920 12.153 2.055 1.00 55.10 C ATOM 88 O PRO A 7 4.322 12.284 3.216 1.00 3.15 O ATOM 89 CB PRO A 7 5.535 12.637 0.211 1.00 4.41 C ATOM 90 CG PRO A 7 6.675 13.331 0.859 1.00 71.23 C ATOM 91 CD PRO A 7 6.162 14.705 1.169 1.00 24.31 C ATOM 0 HA PRO A 7 3.412 13.254 0.359 1.00 44.31 H new ATOM 0 HB2 PRO A 7 5.631 11.554 0.289 1.00 4.41 H new ATOM 0 HB3 PRO A 7 5.474 12.876 -0.851 1.00 4.41 H new ATOM 0 HG2 PRO A 7 6.990 12.813 1.765 1.00 71.23 H new ATOM 0 HG3 PRO A 7 7.541 13.372 0.198 1.00 71.23 H new ATOM 0 HD2 PRO A 7 6.697 15.161 2.002 1.00 24.31 H new ATOM 0 HD3 PRO A 7 6.263 15.379 0.318 1.00 24.31 H new ATOM 96 N ARG A 8 3.127 11.171 1.676 1.00 20.00 N ATOM 97 CA ARG A 8 2.756 10.098 2.580 1.00 14.31 C ATOM 98 C ARG A 8 3.635 8.886 2.296 1.00 44.22 C ATOM 99 O ARG A 8 4.659 9.014 1.625 1.00 54.43 O ATOM 100 CB ARG A 8 1.282 9.740 2.400 1.00 42.41 C ATOM 101 CG ARG A 8 0.312 10.902 2.593 1.00 12.55 C ATOM 102 CD ARG A 8 0.285 11.408 4.026 1.00 33.11 C ATOM 103 NE ARG A 8 1.465 12.205 4.360 1.00 11.40 N ATOM 104 CZ ARG A 8 1.490 13.132 5.316 1.00 23.22 C ATOM 105 NH1 ARG A 8 0.409 13.363 6.048 1.00 35.32 N ATOM 106 NH2 ARG A 8 2.601 13.824 5.540 1.00 11.25 N ATOM 0 H ARG A 8 2.724 11.093 0.742 1.00 20.00 H new ATOM 0 HA ARG A 8 2.903 10.421 3.611 1.00 14.31 H new ATOM 0 HB2 ARG A 8 1.142 9.331 1.400 1.00 42.41 H new ATOM 0 HB3 ARG A 8 1.026 8.950 3.106 1.00 42.41 H new ATOM 0 HG2 ARG A 8 0.592 11.719 1.928 1.00 12.55 H new ATOM 0 HG3 ARG A 8 -0.690 10.586 2.304 1.00 12.55 H new ATOM 0 HD2 ARG A 8 -0.611 12.009 4.179 1.00 33.11 H new ATOM 0 HD3 ARG A 8 0.219 10.559 4.707 1.00 33.11 H new ATOM 0 HE ARG A 8 2.320 12.041 3.829 1.00 11.40 H new ATOM 0 HH11 ARG A 8 -0.444 12.830 5.880 1.00 35.32 H new ATOM 0 HH12 ARG A 8 0.431 14.073 6.780 1.00 35.32 H new ATOM 0 HH21 ARG A 8 3.435 13.645 4.980 1.00 11.25 H new ATOM 0 HH22 ARG A 8 2.621 14.534 6.272 1.00 11.25 H new ATOM 117 N LYS A 9 3.248 7.716 2.788 1.00 70.22 N ATOM 118 CA LYS A 9 4.019 6.510 2.522 1.00 63.14 C ATOM 119 C LYS A 9 3.113 5.280 2.495 1.00 51.33 C ATOM 120 O LYS A 9 2.314 5.064 3.408 1.00 12.23 O ATOM 121 CB LYS A 9 5.123 6.353 3.569 1.00 43.12 C ATOM 122 CG LYS A 9 6.416 5.792 3.011 1.00 70.32 C ATOM 123 CD LYS A 9 6.336 4.296 2.753 1.00 1.12 C ATOM 124 CE LYS A 9 7.562 3.802 2.006 1.00 3.21 C ATOM 125 NZ LYS A 9 8.827 4.273 2.632 1.00 64.44 N ATOM 0 H LYS A 9 2.418 7.577 3.364 1.00 70.22 H new ATOM 0 HA LYS A 9 4.482 6.602 1.540 1.00 63.14 H new ATOM 0 HB2 LYS A 9 5.324 7.324 4.021 1.00 43.12 H new ATOM 0 HB3 LYS A 9 4.767 5.699 4.365 1.00 43.12 H new ATOM 0 HG2 LYS A 9 6.660 6.306 2.081 1.00 70.32 H new ATOM 0 HG3 LYS A 9 7.228 5.994 3.710 1.00 70.32 H new ATOM 0 HD2 LYS A 9 6.246 3.765 3.701 1.00 1.12 H new ATOM 0 HD3 LYS A 9 5.440 4.071 2.175 1.00 1.12 H new ATOM 0 HE2 LYS A 9 7.555 2.712 1.980 1.00 3.21 H new ATOM 0 HE3 LYS A 9 7.519 4.146 0.973 1.00 3.21 H new ATOM 0 HZ1 LYS A 9 9.579 3.574 2.464 1.00 64.44 H new ATOM 0 HZ2 LYS A 9 9.102 5.185 2.215 1.00 64.44 H new ATOM 0 HZ3 LYS A 9 8.685 4.389 3.656 1.00 64.44 H new ATOM 135 N LEU A 10 3.227 4.493 1.434 1.00 62.11 N ATOM 136 CA LEU A 10 2.434 3.283 1.284 1.00 64.44 C ATOM 137 C LEU A 10 3.318 2.042 1.255 1.00 51.11 C ATOM 138 O LEU A 10 4.388 2.039 0.642 1.00 43.35 O ATOM 139 CB LEU A 10 1.594 3.338 0.004 1.00 34.04 C ATOM 140 CG LEU A 10 0.464 4.363 0.004 1.00 32.12 C ATOM 141 CD1 LEU A 10 -0.423 4.160 -1.215 1.00 21.33 C ATOM 142 CD2 LEU A 10 -0.351 4.266 1.286 1.00 21.00 C ATOM 0 H LEU A 10 3.866 4.674 0.660 1.00 62.11 H new ATOM 0 HA LEU A 10 1.771 3.222 2.147 1.00 64.44 H new ATOM 0 HB2 LEU A 10 2.256 3.552 -0.835 1.00 34.04 H new ATOM 0 HB3 LEU A 10 1.166 2.351 -0.172 1.00 34.04 H new ATOM 0 HG LEU A 10 0.898 5.362 -0.043 1.00 32.12 H new ATOM 0 HD11 LEU A 10 -1.227 4.896 -1.207 1.00 21.33 H new ATOM 0 HD12 LEU A 10 0.171 4.281 -2.121 1.00 21.33 H new ATOM 0 HD13 LEU A 10 -0.849 3.157 -1.192 1.00 21.33 H new ATOM 0 HD21 LEU A 10 -1.151 5.006 1.265 1.00 21.00 H new ATOM 0 HD22 LEU A 10 -0.781 3.268 1.369 1.00 21.00 H new ATOM 0 HD23 LEU A 10 0.295 4.455 2.143 1.00 21.00 H new ATOM 153 N VAL A 11 2.866 0.998 1.936 1.00 12.53 N ATOM 154 CA VAL A 11 3.547 -0.290 1.929 1.00 63.32 C ATOM 155 C VAL A 11 2.589 -1.387 1.484 1.00 51.21 C ATOM 156 O VAL A 11 1.434 -1.411 1.899 1.00 53.34 O ATOM 157 CB VAL A 11 4.099 -0.657 3.330 1.00 0.23 C ATOM 158 CG1 VAL A 11 4.513 -2.121 3.384 1.00 2.34 C ATOM 159 CG2 VAL A 11 5.277 0.224 3.698 1.00 53.00 C ATOM 0 H VAL A 11 2.021 1.019 2.507 1.00 12.53 H new ATOM 0 HA VAL A 11 4.382 -0.208 1.233 1.00 63.32 H new ATOM 0 HB VAL A 11 3.300 -0.491 4.052 1.00 0.23 H new ATOM 0 HG11 VAL A 11 4.897 -2.354 4.377 1.00 2.34 H new ATOM 0 HG12 VAL A 11 3.649 -2.751 3.172 1.00 2.34 H new ATOM 0 HG13 VAL A 11 5.289 -2.307 2.642 1.00 2.34 H new ATOM 0 HG21 VAL A 11 5.645 -0.054 4.685 1.00 53.00 H new ATOM 0 HG22 VAL A 11 6.072 0.093 2.964 1.00 53.00 H new ATOM 0 HG23 VAL A 11 4.962 1.267 3.709 1.00 53.00 H new ATOM 169 N VAL A 12 3.055 -2.275 0.624 1.00 61.21 N ATOM 170 CA VAL A 12 2.279 -3.450 0.268 1.00 32.14 C ATOM 171 C VAL A 12 2.912 -4.693 0.891 1.00 74.44 C ATOM 172 O VAL A 12 4.082 -4.997 0.640 1.00 41.23 O ATOM 173 CB VAL A 12 2.181 -3.628 -1.263 1.00 55.22 C ATOM 174 CG1 VAL A 12 1.485 -4.935 -1.613 1.00 32.51 C ATOM 175 CG2 VAL A 12 1.458 -2.453 -1.902 1.00 24.30 C ATOM 0 H VAL A 12 3.961 -2.206 0.161 1.00 61.21 H new ATOM 0 HA VAL A 12 1.269 -3.313 0.654 1.00 32.14 H new ATOM 0 HB VAL A 12 3.195 -3.662 -1.661 1.00 55.22 H new ATOM 0 HG11 VAL A 12 1.428 -5.038 -2.697 1.00 32.51 H new ATOM 0 HG12 VAL A 12 2.049 -5.770 -1.198 1.00 32.51 H new ATOM 0 HG13 VAL A 12 0.478 -4.934 -1.195 1.00 32.51 H new ATOM 0 HG21 VAL A 12 1.402 -2.603 -2.980 1.00 24.30 H new ATOM 0 HG22 VAL A 12 0.450 -2.380 -1.493 1.00 24.30 H new ATOM 0 HG23 VAL A 12 2.002 -1.533 -1.691 1.00 24.30 H new ATOM 185 N TYR A 13 2.150 -5.391 1.727 1.00 14.31 N ATOM 186 CA TYR A 13 2.631 -6.626 2.335 1.00 51.23 C ATOM 187 C TYR A 13 2.422 -7.782 1.377 1.00 15.33 C ATOM 188 O TYR A 13 1.337 -8.348 1.319 1.00 54.40 O ATOM 189 CB TYR A 13 1.892 -6.922 3.639 1.00 34.42 C ATOM 190 CG TYR A 13 2.150 -5.933 4.748 1.00 74.52 C ATOM 191 CD1 TYR A 13 3.438 -5.705 5.213 1.00 15.13 C ATOM 192 CD2 TYR A 13 1.102 -5.241 5.347 1.00 21.54 C ATOM 193 CE1 TYR A 13 3.679 -4.815 6.240 1.00 64.44 C ATOM 194 CE2 TYR A 13 1.337 -4.348 6.373 1.00 43.30 C ATOM 195 CZ TYR A 13 2.625 -4.139 6.817 1.00 33.23 C ATOM 196 OH TYR A 13 2.860 -3.256 7.844 1.00 33.52 O ATOM 0 H TYR A 13 1.203 -5.125 1.997 1.00 14.31 H new ATOM 0 HA TYR A 13 3.692 -6.504 2.553 1.00 51.23 H new ATOM 0 HB2 TYR A 13 0.821 -6.949 3.436 1.00 34.42 H new ATOM 0 HB3 TYR A 13 2.176 -7.916 3.984 1.00 34.42 H new ATOM 0 HD1 TYR A 13 4.266 -6.233 4.763 1.00 15.13 H new ATOM 0 HD2 TYR A 13 0.091 -5.405 5.005 1.00 21.54 H new ATOM 0 HE1 TYR A 13 4.687 -4.649 6.590 1.00 64.44 H new ATOM 0 HE2 TYR A 13 0.514 -3.815 6.826 1.00 43.30 H new ATOM 0 HH TYR A 13 2.165 -2.566 7.847 1.00 33.52 H new ATOM 205 N GLY A 14 3.461 -8.142 0.647 1.00 50.52 N ATOM 206 CA GLY A 14 3.310 -9.148 -0.378 1.00 23.33 C ATOM 207 C GLY A 14 4.355 -10.232 -0.288 1.00 11.11 C ATOM 208 O GLY A 14 5.176 -10.248 0.631 1.00 52.42 O ATOM 0 H GLY A 14 4.401 -7.759 0.744 1.00 50.52 H new ATOM 0 HA2 GLY A 14 2.320 -9.596 -0.298 1.00 23.33 H new ATOM 0 HA3 GLY A 14 3.367 -8.674 -1.358 1.00 23.33 H new ATOM 212 N ARG A 15 4.323 -11.144 -1.247 1.00 44.03 N ATOM 213 CA ARG A 15 5.280 -12.233 -1.303 1.00 53.01 C ATOM 214 C ARG A 15 5.360 -12.782 -2.726 1.00 11.15 C ATOM 215 O ARG A 15 4.341 -13.146 -3.313 1.00 43.32 O ATOM 216 CB ARG A 15 4.895 -13.346 -0.320 1.00 50.33 C ATOM 217 CG ARG A 15 3.548 -13.990 -0.615 1.00 24.20 C ATOM 218 CD ARG A 15 3.332 -15.254 0.203 1.00 44.42 C ATOM 219 NE ARG A 15 4.504 -16.134 0.174 1.00 54.53 N ATOM 220 CZ ARG A 15 4.964 -16.748 -0.920 1.00 74.42 C ATOM 221 NH1 ARG A 15 4.319 -16.654 -2.076 1.00 54.33 N ATOM 222 NH2 ARG A 15 6.074 -17.467 -0.857 1.00 21.01 N ATOM 0 H ARG A 15 3.638 -11.149 -2.002 1.00 44.03 H new ATOM 0 HA ARG A 15 6.260 -11.851 -1.015 1.00 53.01 H new ATOM 0 HB2 ARG A 15 5.666 -14.116 -0.338 1.00 50.33 H new ATOM 0 HB3 ARG A 15 4.877 -12.936 0.690 1.00 50.33 H new ATOM 0 HG2 ARG A 15 2.751 -13.278 -0.401 1.00 24.20 H new ATOM 0 HG3 ARG A 15 3.485 -14.229 -1.677 1.00 24.20 H new ATOM 0 HD2 ARG A 15 3.107 -14.984 1.235 1.00 44.42 H new ATOM 0 HD3 ARG A 15 2.465 -15.791 -0.182 1.00 44.42 H new ATOM 0 HE ARG A 15 5.003 -16.288 1.050 1.00 54.53 H new ATOM 0 HH11 ARG A 15 3.460 -16.107 -2.138 1.00 54.33 H new ATOM 0 HH12 ARG A 15 4.682 -17.128 -2.903 1.00 54.33 H new ATOM 0 HH21 ARG A 15 6.577 -17.552 0.026 1.00 21.01 H new ATOM 0 HH22 ARG A 15 6.426 -17.936 -1.692 1.00 21.01 H new ATOM 233 N GLU A 16 6.576 -12.820 -3.269 1.00 70.43 N ATOM 234 CA GLU A 16 6.823 -13.310 -4.627 1.00 1.05 C ATOM 235 C GLU A 16 5.973 -12.563 -5.659 1.00 53.14 C ATOM 236 O GLU A 16 5.578 -11.416 -5.439 1.00 34.01 O ATOM 237 CB GLU A 16 6.565 -14.817 -4.703 1.00 51.52 C ATOM 238 CG GLU A 16 7.401 -15.615 -3.720 1.00 22.14 C ATOM 239 CD GLU A 16 7.395 -17.097 -4.020 1.00 62.42 C ATOM 240 OE1 GLU A 16 6.503 -17.815 -3.519 1.00 45.44 O ATOM 241 OE2 GLU A 16 8.301 -17.559 -4.747 1.00 53.01 O ATOM 0 H GLU A 16 7.418 -12.513 -2.782 1.00 70.43 H new ATOM 0 HA GLU A 16 7.869 -13.120 -4.866 1.00 1.05 H new ATOM 0 HB2 GLU A 16 5.509 -15.009 -4.512 1.00 51.52 H new ATOM 0 HB3 GLU A 16 6.774 -15.165 -5.715 1.00 51.52 H new ATOM 0 HG2 GLU A 16 8.427 -15.248 -3.740 1.00 22.14 H new ATOM 0 HG3 GLU A 16 7.024 -15.451 -2.711 1.00 22.14 H new ATOM 246 N GLY A 17 5.708 -13.206 -6.790 1.00 74.53 N ATOM 247 CA GLY A 17 4.955 -12.564 -7.847 1.00 33.24 C ATOM 248 C GLY A 17 3.499 -12.976 -7.862 1.00 61.43 C ATOM 249 O GLY A 17 3.161 -14.119 -7.544 1.00 13.34 O ATOM 0 H GLY A 17 6.002 -14.161 -6.993 1.00 74.53 H new ATOM 0 HA2 GLY A 17 5.021 -11.482 -7.729 1.00 33.24 H new ATOM 0 HA3 GLY A 17 5.407 -12.808 -8.809 1.00 33.24 H new ATOM 253 N CYS A 18 2.636 -12.037 -8.223 1.00 23.42 N ATOM 254 CA CYS A 18 1.208 -12.296 -8.338 1.00 75.23 C ATOM 255 C CYS A 18 0.584 -11.283 -9.291 1.00 45.52 C ATOM 256 O CYS A 18 0.973 -10.115 -9.300 1.00 2.53 O ATOM 257 CB CYS A 18 0.532 -12.224 -6.964 1.00 22.42 C ATOM 258 SG CYS A 18 -1.245 -12.583 -6.983 1.00 21.42 S ATOM 0 H CYS A 18 2.904 -11.078 -8.444 1.00 23.42 H new ATOM 0 HA CYS A 18 1.060 -13.301 -8.734 1.00 75.23 H new ATOM 0 HB2 CYS A 18 1.025 -12.927 -6.293 1.00 22.42 H new ATOM 0 HB3 CYS A 18 0.684 -11.227 -6.550 1.00 22.42 H new ATOM 0 HG CYS A 18 -1.718 -12.498 -5.775 1.00 21.42 H new ATOM 263 N HIS A 19 -0.384 -11.732 -10.086 1.00 54.40 N ATOM 264 CA HIS A 19 -0.997 -10.887 -11.110 1.00 2.34 C ATOM 265 C HIS A 19 -1.659 -9.657 -10.505 1.00 43.20 C ATOM 266 O HIS A 19 -1.432 -8.536 -10.957 1.00 51.32 O ATOM 267 CB HIS A 19 -2.035 -11.677 -11.915 1.00 52.55 C ATOM 268 CG HIS A 19 -1.444 -12.598 -12.940 1.00 21.40 C ATOM 269 ND1 HIS A 19 -2.146 -13.053 -14.035 1.00 32.13 N ATOM 270 CD2 HIS A 19 -0.211 -13.150 -13.031 1.00 23.43 C ATOM 271 CE1 HIS A 19 -1.371 -13.843 -14.754 1.00 55.40 C ATOM 272 NE2 HIS A 19 -0.192 -13.917 -14.167 1.00 62.50 N ATOM 0 H HIS A 19 -0.762 -12.678 -10.041 1.00 54.40 H new ATOM 0 HA HIS A 19 -0.196 -10.557 -11.772 1.00 2.34 H new ATOM 0 HB2 HIS A 19 -2.645 -12.261 -11.226 1.00 52.55 H new ATOM 0 HB3 HIS A 19 -2.702 -10.975 -12.415 1.00 52.55 H new ATOM 0 HD2 HIS A 19 0.605 -13.012 -12.338 1.00 23.43 H new ATOM 0 HE1 HIS A 19 -1.654 -14.344 -15.668 1.00 55.40 H new ATOM 0 HE2 HIS A 19 0.605 -14.457 -14.504 1.00 62.50 H new ATOM 279 N LEU A 20 -2.464 -9.868 -9.472 1.00 32.24 N ATOM 280 CA LEU A 20 -3.235 -8.786 -8.872 1.00 73.12 C ATOM 281 C LEU A 20 -2.307 -7.756 -8.222 1.00 42.50 C ATOM 282 O LEU A 20 -2.580 -6.556 -8.252 1.00 72.22 O ATOM 283 CB LEU A 20 -4.221 -9.354 -7.840 1.00 21.12 C ATOM 284 CG LEU A 20 -5.595 -8.673 -7.785 1.00 24.53 C ATOM 285 CD1 LEU A 20 -5.499 -7.272 -7.204 1.00 52.52 C ATOM 286 CD2 LEU A 20 -6.219 -8.626 -9.171 1.00 11.35 C ATOM 0 H LEU A 20 -2.600 -10.778 -9.032 1.00 32.24 H new ATOM 0 HA LEU A 20 -3.800 -8.283 -9.657 1.00 73.12 H new ATOM 0 HB2 LEU A 20 -4.369 -10.413 -8.052 1.00 21.12 H new ATOM 0 HB3 LEU A 20 -3.763 -9.287 -6.853 1.00 21.12 H new ATOM 0 HG LEU A 20 -6.232 -9.265 -7.128 1.00 24.53 H new ATOM 0 HD11 LEU A 20 -6.490 -6.819 -7.180 1.00 52.52 H new ATOM 0 HD12 LEU A 20 -5.099 -7.325 -6.191 1.00 52.52 H new ATOM 0 HD13 LEU A 20 -4.838 -6.666 -7.824 1.00 52.52 H new ATOM 0 HD21 LEU A 20 -7.193 -8.140 -9.115 1.00 11.35 H new ATOM 0 HD22 LEU A 20 -5.571 -8.063 -9.843 1.00 11.35 H new ATOM 0 HD23 LEU A 20 -6.341 -9.641 -9.550 1.00 11.35 H new ATOM 297 N CYS A 21 -1.201 -8.227 -7.663 1.00 33.23 N ATOM 298 CA CYS A 21 -0.226 -7.339 -7.041 1.00 13.13 C ATOM 299 C CYS A 21 0.402 -6.420 -8.085 1.00 11.13 C ATOM 300 O CYS A 21 0.596 -5.228 -7.844 1.00 12.11 O ATOM 301 CB CYS A 21 0.853 -8.153 -6.327 1.00 43.13 C ATOM 302 SG CYS A 21 0.211 -9.227 -5.023 1.00 24.44 S ATOM 0 H CYS A 21 -0.956 -9.216 -7.627 1.00 33.23 H new ATOM 0 HA CYS A 21 -0.740 -6.722 -6.304 1.00 13.13 H new ATOM 0 HB2 CYS A 21 1.380 -8.763 -7.061 1.00 43.13 H new ATOM 0 HB3 CYS A 21 1.585 -7.470 -5.895 1.00 43.13 H new ATOM 0 HG CYS A 21 1.193 -9.879 -4.475 1.00 24.44 H new ATOM 307 N GLU A 22 0.694 -6.980 -9.256 1.00 32.14 N ATOM 308 CA GLU A 22 1.236 -6.204 -10.363 1.00 34.33 C ATOM 309 C GLU A 22 0.241 -5.128 -10.790 1.00 34.21 C ATOM 310 O GLU A 22 0.620 -3.989 -11.077 1.00 51.44 O ATOM 311 CB GLU A 22 1.556 -7.118 -11.548 1.00 3.21 C ATOM 312 CG GLU A 22 2.605 -8.176 -11.246 1.00 3.11 C ATOM 313 CD GLU A 22 3.973 -7.586 -10.970 1.00 50.50 C ATOM 314 OE1 GLU A 22 4.707 -7.310 -11.943 1.00 53.41 O ATOM 315 OE2 GLU A 22 4.323 -7.404 -9.787 1.00 74.03 O ATOM 0 H GLU A 22 0.563 -7.971 -9.461 1.00 32.14 H new ATOM 0 HA GLU A 22 2.156 -5.724 -10.031 1.00 34.33 H new ATOM 0 HB2 GLU A 22 0.639 -7.611 -11.871 1.00 3.21 H new ATOM 0 HB3 GLU A 22 1.900 -6.507 -12.382 1.00 3.21 H new ATOM 0 HG2 GLU A 22 2.286 -8.761 -10.383 1.00 3.11 H new ATOM 0 HG3 GLU A 22 2.674 -8.863 -12.089 1.00 3.11 H new ATOM 320 N GLU A 23 -1.036 -5.499 -10.813 1.00 51.12 N ATOM 321 CA GLU A 23 -2.098 -4.573 -11.180 1.00 65.43 C ATOM 322 C GLU A 23 -2.207 -3.439 -10.166 1.00 21.31 C ATOM 323 O GLU A 23 -2.475 -2.289 -10.530 1.00 33.54 O ATOM 324 CB GLU A 23 -3.433 -5.308 -11.297 1.00 44.24 C ATOM 325 CG GLU A 23 -3.403 -6.443 -12.305 1.00 71.12 C ATOM 326 CD GLU A 23 -4.774 -7.010 -12.599 1.00 21.43 C ATOM 327 OE1 GLU A 23 -5.580 -6.318 -13.259 1.00 22.24 O ATOM 328 OE2 GLU A 23 -5.047 -8.154 -12.197 1.00 61.43 O ATOM 0 H GLU A 23 -1.359 -6.438 -10.581 1.00 51.12 H new ATOM 0 HA GLU A 23 -1.849 -4.142 -12.150 1.00 65.43 H new ATOM 0 HB2 GLU A 23 -3.709 -5.705 -10.320 1.00 44.24 H new ATOM 0 HB3 GLU A 23 -4.208 -4.597 -11.583 1.00 44.24 H new ATOM 0 HG2 GLU A 23 -2.957 -6.085 -13.233 1.00 71.12 H new ATOM 0 HG3 GLU A 23 -2.760 -7.239 -11.929 1.00 71.12 H new ATOM 333 N MET A 24 -1.989 -3.758 -8.896 1.00 72.43 N ATOM 334 CA MET A 24 -2.000 -2.740 -7.851 1.00 55.01 C ATOM 335 C MET A 24 -0.825 -1.793 -8.021 1.00 40.12 C ATOM 336 O MET A 24 -0.991 -0.583 -7.929 1.00 34.35 O ATOM 337 CB MET A 24 -1.966 -3.353 -6.452 1.00 11.04 C ATOM 338 CG MET A 24 -3.214 -4.139 -6.096 1.00 41.10 C ATOM 339 SD MET A 24 -3.241 -4.655 -4.369 1.00 13.13 S ATOM 340 CE MET A 24 -3.283 -3.067 -3.533 1.00 62.44 C ATOM 0 H MET A 24 -1.804 -4.705 -8.566 1.00 72.43 H new ATOM 0 HA MET A 24 -2.934 -2.187 -7.953 1.00 55.01 H new ATOM 0 HB2 MET A 24 -1.100 -4.010 -6.375 1.00 11.04 H new ATOM 0 HB3 MET A 24 -1.828 -2.557 -5.720 1.00 11.04 H new ATOM 0 HG2 MET A 24 -4.094 -3.530 -6.303 1.00 41.10 H new ATOM 0 HG3 MET A 24 -3.279 -5.019 -6.735 1.00 41.10 H new ATOM 0 HE1 MET A 24 -2.350 -2.917 -2.989 1.00 62.44 H new ATOM 0 HE2 MET A 24 -3.406 -2.272 -4.268 1.00 62.44 H new ATOM 0 HE3 MET A 24 -4.118 -3.046 -2.833 1.00 62.44 H new ATOM 348 N ILE A 25 0.361 -2.344 -8.284 1.00 74.24 N ATOM 349 CA ILE A 25 1.553 -1.528 -8.503 1.00 74.14 C ATOM 350 C ILE A 25 1.332 -0.537 -9.639 1.00 23.25 C ATOM 351 O ILE A 25 1.632 0.650 -9.508 1.00 1.44 O ATOM 352 CB ILE A 25 2.801 -2.386 -8.817 1.00 43.33 C ATOM 353 CG1 ILE A 25 3.162 -3.255 -7.610 1.00 45.14 C ATOM 354 CG2 ILE A 25 3.975 -1.492 -9.214 1.00 32.40 C ATOM 355 CD1 ILE A 25 4.315 -4.202 -7.866 1.00 42.24 C ATOM 0 H ILE A 25 0.520 -3.349 -8.350 1.00 74.24 H new ATOM 0 HA ILE A 25 1.732 -0.989 -7.573 1.00 74.14 H new ATOM 0 HB ILE A 25 2.575 -3.043 -9.657 1.00 43.33 H new ATOM 0 HG12 ILE A 25 3.414 -2.608 -6.770 1.00 45.14 H new ATOM 0 HG13 ILE A 25 2.287 -3.834 -7.315 1.00 45.14 H new ATOM 0 HG21 ILE A 25 4.846 -2.110 -9.432 1.00 32.40 H new ATOM 0 HG22 ILE A 25 3.709 -0.914 -10.099 1.00 32.40 H new ATOM 0 HG23 ILE A 25 4.208 -0.813 -8.394 1.00 32.40 H new ATOM 0 HD11 ILE A 25 4.514 -4.785 -6.967 1.00 42.24 H new ATOM 0 HD12 ILE A 25 4.059 -4.874 -8.685 1.00 42.24 H new ATOM 0 HD13 ILE A 25 5.204 -3.630 -8.131 1.00 42.24 H new ATOM 366 N ALA A 26 0.797 -1.031 -10.750 1.00 41.25 N ATOM 367 CA ALA A 26 0.499 -0.183 -11.896 1.00 34.44 C ATOM 368 C ALA A 26 -0.461 0.931 -11.503 1.00 64.03 C ATOM 369 O ALA A 26 -0.274 2.088 -11.884 1.00 50.20 O ATOM 370 CB ALA A 26 -0.076 -1.015 -13.026 1.00 24.34 C ATOM 0 H ALA A 26 0.561 -2.015 -10.880 1.00 41.25 H new ATOM 0 HA ALA A 26 1.425 0.276 -12.241 1.00 34.44 H new ATOM 0 HB1 ALA A 26 -0.295 -0.371 -13.877 1.00 24.34 H new ATOM 0 HB2 ALA A 26 0.647 -1.775 -13.323 1.00 24.34 H new ATOM 0 HB3 ALA A 26 -0.994 -1.498 -12.691 1.00 24.34 H new ATOM 376 N SER A 27 -1.475 0.573 -10.721 1.00 62.42 N ATOM 377 CA SER A 27 -2.447 1.537 -10.220 1.00 24.33 C ATOM 378 C SER A 27 -1.783 2.541 -9.278 1.00 71.21 C ATOM 379 O SER A 27 -2.049 3.743 -9.346 1.00 61.34 O ATOM 380 CB SER A 27 -3.580 0.803 -9.500 1.00 32.43 C ATOM 381 OG SER A 27 -4.271 -0.059 -10.391 1.00 31.04 O ATOM 0 H SER A 27 -1.645 -0.386 -10.419 1.00 62.42 H new ATOM 0 HA SER A 27 -2.858 2.088 -11.066 1.00 24.33 H new ATOM 0 HB2 SER A 27 -3.174 0.225 -8.670 1.00 32.43 H new ATOM 0 HB3 SER A 27 -4.275 1.527 -9.075 1.00 32.43 H new ATOM 0 HG SER A 27 -3.741 -0.870 -10.539 1.00 31.04 H new ATOM 386 N LEU A 28 -0.909 2.041 -8.410 1.00 2.23 N ATOM 387 CA LEU A 28 -0.177 2.886 -7.475 1.00 4.03 C ATOM 388 C LEU A 28 0.651 3.917 -8.223 1.00 60.42 C ATOM 389 O LEU A 28 0.641 5.087 -7.877 1.00 31.30 O ATOM 390 CB LEU A 28 0.736 2.038 -6.586 1.00 12.53 C ATOM 391 CG LEU A 28 0.019 1.057 -5.656 1.00 2.33 C ATOM 392 CD1 LEU A 28 1.018 0.168 -4.934 1.00 13.14 C ATOM 393 CD2 LEU A 28 -0.848 1.805 -4.656 1.00 41.24 C ATOM 0 H LEU A 28 -0.690 1.048 -8.335 1.00 2.23 H new ATOM 0 HA LEU A 28 -0.903 3.403 -6.847 1.00 4.03 H new ATOM 0 HB2 LEU A 28 1.417 1.475 -7.225 1.00 12.53 H new ATOM 0 HB3 LEU A 28 1.347 2.706 -5.980 1.00 12.53 H new ATOM 0 HG LEU A 28 -0.625 0.422 -6.264 1.00 2.33 H new ATOM 0 HD11 LEU A 28 0.485 -0.521 -4.279 1.00 13.14 H new ATOM 0 HD12 LEU A 28 1.595 -0.399 -5.665 1.00 13.14 H new ATOM 0 HD13 LEU A 28 1.692 0.786 -4.340 1.00 13.14 H new ATOM 0 HD21 LEU A 28 -1.350 1.091 -4.003 1.00 41.24 H new ATOM 0 HD22 LEU A 28 -0.223 2.467 -4.057 1.00 41.24 H new ATOM 0 HD23 LEU A 28 -1.593 2.394 -5.190 1.00 41.24 H new ATOM 404 N ARG A 29 1.351 3.472 -9.261 1.00 34.33 N ATOM 405 CA ARG A 29 2.177 4.361 -10.073 1.00 52.15 C ATOM 406 C ARG A 29 1.348 5.497 -10.668 1.00 20.32 C ATOM 407 O ARG A 29 1.775 6.651 -10.674 1.00 22.10 O ATOM 408 CB ARG A 29 2.861 3.578 -11.194 1.00 12.53 C ATOM 409 CG ARG A 29 3.940 2.628 -10.705 1.00 33.34 C ATOM 410 CD ARG A 29 5.123 3.384 -10.121 1.00 23.11 C ATOM 411 NE ARG A 29 5.753 4.261 -11.113 1.00 73.05 N ATOM 412 CZ ARG A 29 6.464 5.353 -10.816 1.00 23.33 C ATOM 413 NH1 ARG A 29 6.601 5.747 -9.558 1.00 31.32 N ATOM 414 NH2 ARG A 29 7.029 6.060 -11.785 1.00 34.25 N ATOM 0 H ARG A 29 1.363 2.497 -9.561 1.00 34.33 H new ATOM 0 HA ARG A 29 2.936 4.794 -9.422 1.00 52.15 H new ATOM 0 HB2 ARG A 29 2.108 3.009 -11.739 1.00 12.53 H new ATOM 0 HB3 ARG A 29 3.302 4.282 -11.900 1.00 12.53 H new ATOM 0 HG2 ARG A 29 3.524 1.961 -9.950 1.00 33.34 H new ATOM 0 HG3 ARG A 29 4.278 2.003 -11.531 1.00 33.34 H new ATOM 0 HD2 ARG A 29 4.790 3.978 -9.270 1.00 23.11 H new ATOM 0 HD3 ARG A 29 5.859 2.673 -9.745 1.00 23.11 H new ATOM 0 HE ARG A 29 5.641 4.021 -12.098 1.00 73.05 H new ATOM 0 HH11 ARG A 29 6.162 5.215 -8.806 1.00 31.32 H new ATOM 0 HH12 ARG A 29 7.146 6.582 -9.341 1.00 31.32 H new ATOM 0 HH21 ARG A 29 6.921 5.770 -12.757 1.00 34.25 H new ATOM 0 HH22 ARG A 29 7.572 6.893 -11.558 1.00 34.25 H new ATOM 425 N VAL A 30 0.160 5.164 -11.157 1.00 5.22 N ATOM 426 CA VAL A 30 -0.733 6.154 -11.751 1.00 23.10 C ATOM 427 C VAL A 30 -1.186 7.181 -10.713 1.00 15.33 C ATOM 428 O VAL A 30 -1.166 8.386 -10.970 1.00 20.11 O ATOM 429 CB VAL A 30 -1.971 5.490 -12.395 1.00 11.10 C ATOM 430 CG1 VAL A 30 -2.934 6.539 -12.931 1.00 45.32 C ATOM 431 CG2 VAL A 30 -1.548 4.547 -13.508 1.00 21.14 C ATOM 0 H VAL A 30 -0.209 4.213 -11.154 1.00 5.22 H new ATOM 0 HA VAL A 30 -0.167 6.663 -12.531 1.00 23.10 H new ATOM 0 HB VAL A 30 -2.486 4.916 -11.625 1.00 11.10 H new ATOM 0 HG11 VAL A 30 -3.797 6.046 -13.379 1.00 45.32 H new ATOM 0 HG12 VAL A 30 -3.266 7.179 -12.114 1.00 45.32 H new ATOM 0 HG13 VAL A 30 -2.430 7.144 -13.685 1.00 45.32 H new ATOM 0 HG21 VAL A 30 -2.432 4.088 -13.951 1.00 21.14 H new ATOM 0 HG22 VAL A 30 -1.007 5.105 -14.272 1.00 21.14 H new ATOM 0 HG23 VAL A 30 -0.901 3.770 -13.100 1.00 21.14 H new ATOM 441 N LEU A 31 -1.575 6.705 -9.540 1.00 61.45 N ATOM 442 CA LEU A 31 -2.044 7.588 -8.479 1.00 21.21 C ATOM 443 C LEU A 31 -0.867 8.355 -7.873 1.00 4.44 C ATOM 444 O LEU A 31 -1.005 9.509 -7.470 1.00 24.35 O ATOM 445 CB LEU A 31 -2.760 6.777 -7.390 1.00 52.22 C ATOM 446 CG LEU A 31 -4.035 7.411 -6.813 1.00 62.12 C ATOM 447 CD1 LEU A 31 -4.587 6.550 -5.690 1.00 62.41 C ATOM 448 CD2 LEU A 31 -3.779 8.824 -6.313 1.00 22.03 C ATOM 0 H LEU A 31 -1.576 5.714 -9.297 1.00 61.45 H new ATOM 0 HA LEU A 31 -2.749 8.302 -8.905 1.00 21.21 H new ATOM 0 HB2 LEU A 31 -3.016 5.800 -7.800 1.00 52.22 H new ATOM 0 HB3 LEU A 31 -2.060 6.605 -6.572 1.00 52.22 H new ATOM 0 HG LEU A 31 -4.770 7.469 -7.615 1.00 62.12 H new ATOM 0 HD11 LEU A 31 -5.490 7.010 -5.289 1.00 62.41 H new ATOM 0 HD12 LEU A 31 -4.825 5.558 -6.075 1.00 62.41 H new ATOM 0 HD13 LEU A 31 -3.843 6.463 -4.899 1.00 62.41 H new ATOM 0 HD21 LEU A 31 -4.703 9.241 -5.912 1.00 22.03 H new ATOM 0 HD22 LEU A 31 -3.021 8.801 -5.530 1.00 22.03 H new ATOM 0 HD23 LEU A 31 -3.429 9.444 -7.138 1.00 22.03 H new ATOM 459 N GLN A 32 0.291 7.707 -7.841 1.00 14.41 N ATOM 460 CA GLN A 32 1.500 8.287 -7.263 1.00 51.32 C ATOM 461 C GLN A 32 1.920 9.535 -8.035 1.00 4.25 C ATOM 462 O GLN A 32 2.564 10.431 -7.492 1.00 74.21 O ATOM 463 CB GLN A 32 2.622 7.246 -7.274 1.00 61.32 C ATOM 464 CG GLN A 32 3.766 7.555 -6.328 1.00 33.21 C ATOM 465 CD GLN A 32 4.836 6.484 -6.346 1.00 33.44 C ATOM 466 OE1 GLN A 32 5.034 5.796 -7.346 1.00 62.44 O ATOM 467 NE2 GLN A 32 5.539 6.332 -5.241 1.00 40.12 N ATOM 0 H GLN A 32 0.420 6.766 -8.214 1.00 14.41 H new ATOM 0 HA GLN A 32 1.296 8.581 -6.234 1.00 51.32 H new ATOM 0 HB2 GLN A 32 2.203 6.274 -7.014 1.00 61.32 H new ATOM 0 HB3 GLN A 32 3.015 7.163 -8.287 1.00 61.32 H new ATOM 0 HG2 GLN A 32 4.210 8.513 -6.600 1.00 33.21 H new ATOM 0 HG3 GLN A 32 3.378 7.660 -5.315 1.00 33.21 H new ATOM 0 HE21 GLN A 32 5.348 6.920 -4.430 1.00 40.12 H new ATOM 0 HE22 GLN A 32 6.274 5.626 -5.197 1.00 40.12 H new ATOM 474 N LYS A 33 1.546 9.579 -9.311 1.00 25.53 N ATOM 475 CA LYS A 33 1.752 10.761 -10.136 1.00 42.42 C ATOM 476 C LYS A 33 0.952 11.939 -9.590 1.00 70.40 C ATOM 477 O LYS A 33 1.440 13.069 -9.516 1.00 52.11 O ATOM 478 CB LYS A 33 1.310 10.500 -11.567 1.00 42.35 C ATOM 479 CG LYS A 33 2.105 9.421 -12.273 1.00 74.21 C ATOM 480 CD LYS A 33 1.759 9.390 -13.742 1.00 51.23 C ATOM 481 CE LYS A 33 0.286 9.073 -13.959 1.00 52.11 C ATOM 482 NZ LYS A 33 -0.131 9.263 -15.373 1.00 12.03 N ATOM 0 H LYS A 33 1.096 8.803 -9.797 1.00 25.53 H new ATOM 0 HA LYS A 33 2.816 10.996 -10.117 1.00 42.42 H new ATOM 0 HB2 LYS A 33 0.257 10.218 -11.565 1.00 42.35 H new ATOM 0 HB3 LYS A 33 1.391 11.426 -12.136 1.00 42.35 H new ATOM 0 HG2 LYS A 33 3.172 9.605 -12.148 1.00 74.21 H new ATOM 0 HG3 LYS A 33 1.894 8.451 -11.822 1.00 74.21 H new ATOM 0 HD2 LYS A 33 1.996 10.353 -14.194 1.00 51.23 H new ATOM 0 HD3 LYS A 33 2.372 8.643 -14.246 1.00 51.23 H new ATOM 0 HE2 LYS A 33 0.091 8.043 -13.661 1.00 52.11 H new ATOM 0 HE3 LYS A 33 -0.319 9.712 -13.315 1.00 52.11 H new ATOM 0 HZ1 LYS A 33 -1.141 9.035 -15.471 1.00 12.03 H new ATOM 0 HZ2 LYS A 33 0.029 10.252 -15.652 1.00 12.03 H new ATOM 0 HZ3 LYS A 33 0.426 8.635 -15.987 1.00 12.03 H new ATOM 492 N LYS A 34 -0.282 11.647 -9.198 1.00 43.41 N ATOM 493 CA LYS A 34 -1.228 12.665 -8.761 1.00 44.14 C ATOM 494 C LYS A 34 -0.938 13.087 -7.326 1.00 13.40 C ATOM 495 O LYS A 34 -1.072 14.257 -6.963 1.00 50.53 O ATOM 496 CB LYS A 34 -2.657 12.116 -8.854 1.00 50.34 C ATOM 497 CG LYS A 34 -2.940 11.360 -10.145 1.00 64.04 C ATOM 498 CD LYS A 34 -4.353 10.796 -10.168 1.00 20.41 C ATOM 499 CE LYS A 34 -4.570 9.892 -11.371 1.00 44.54 C ATOM 500 NZ LYS A 34 -5.975 9.401 -11.455 1.00 33.53 N ATOM 0 H LYS A 34 -0.655 10.698 -9.174 1.00 43.41 H new ATOM 0 HA LYS A 34 -1.125 13.535 -9.409 1.00 44.14 H new ATOM 0 HB2 LYS A 34 -2.838 11.453 -8.008 1.00 50.34 H new ATOM 0 HB3 LYS A 34 -3.361 12.944 -8.766 1.00 50.34 H new ATOM 0 HG2 LYS A 34 -2.800 12.027 -10.996 1.00 64.04 H new ATOM 0 HG3 LYS A 34 -2.222 10.548 -10.256 1.00 64.04 H new ATOM 0 HD2 LYS A 34 -4.538 10.235 -9.252 1.00 20.41 H new ATOM 0 HD3 LYS A 34 -5.073 11.614 -10.191 1.00 20.41 H new ATOM 0 HE2 LYS A 34 -4.321 10.436 -12.282 1.00 44.54 H new ATOM 0 HE3 LYS A 34 -3.892 9.041 -11.312 1.00 44.54 H new ATOM 0 HZ1 LYS A 34 -6.079 8.788 -12.289 1.00 33.53 H new ATOM 0 HZ2 LYS A 34 -6.206 8.860 -10.597 1.00 33.53 H new ATOM 0 HZ3 LYS A 34 -6.622 10.211 -11.538 1.00 33.53 H new ATOM 510 N SER A 35 -0.554 12.119 -6.515 1.00 24.31 N ATOM 511 CA SER A 35 -0.252 12.353 -5.115 1.00 44.24 C ATOM 512 C SER A 35 0.881 11.431 -4.674 1.00 74.35 C ATOM 513 O SER A 35 0.791 10.216 -4.830 1.00 20.01 O ATOM 514 CB SER A 35 -1.505 12.111 -4.270 1.00 44.52 C ATOM 515 OG SER A 35 -2.572 12.947 -4.694 1.00 75.23 O ATOM 0 H SER A 35 -0.443 11.148 -6.808 1.00 24.31 H new ATOM 0 HA SER A 35 0.066 13.386 -4.977 1.00 44.24 H new ATOM 0 HB2 SER A 35 -1.804 11.066 -4.347 1.00 44.52 H new ATOM 0 HB3 SER A 35 -1.283 12.302 -3.220 1.00 44.52 H new ATOM 0 HG SER A 35 -3.363 12.774 -4.141 1.00 75.23 H new ATOM 520 N TRP A 36 1.950 12.005 -4.133 1.00 2.10 N ATOM 521 CA TRP A 36 3.122 11.218 -3.784 1.00 4.50 C ATOM 522 C TRP A 36 2.959 10.573 -2.418 1.00 70.42 C ATOM 523 O TRP A 36 2.804 11.253 -1.404 1.00 74.31 O ATOM 524 CB TRP A 36 4.390 12.068 -3.810 1.00 33.43 C ATOM 525 CG TRP A 36 5.641 11.241 -3.752 1.00 41.21 C ATOM 526 CD1 TRP A 36 6.389 10.941 -2.648 1.00 41.40 C ATOM 527 CD2 TRP A 36 6.280 10.590 -4.855 1.00 72.23 C ATOM 528 NE1 TRP A 36 7.459 10.158 -3.001 1.00 12.25 N ATOM 529 CE2 TRP A 36 7.415 9.930 -4.350 1.00 30.54 C ATOM 530 CE3 TRP A 36 6.004 10.506 -6.221 1.00 45.21 C ATOM 531 CZ2 TRP A 36 8.272 9.195 -5.166 1.00 34.22 C ATOM 532 CZ3 TRP A 36 6.854 9.778 -7.030 1.00 30.25 C ATOM 533 CH2 TRP A 36 7.978 9.131 -6.498 1.00 53.24 C ATOM 0 H TRP A 36 2.027 13.001 -3.929 1.00 2.10 H new ATOM 0 HA TRP A 36 3.218 10.432 -4.533 1.00 4.50 H new ATOM 0 HB2 TRP A 36 4.400 12.672 -4.718 1.00 33.43 H new ATOM 0 HB3 TRP A 36 4.377 12.759 -2.968 1.00 33.43 H new ATOM 0 HD1 TRP A 36 6.170 11.272 -1.644 1.00 41.40 H new ATOM 0 HE1 TRP A 36 8.171 9.804 -2.362 1.00 12.25 H new ATOM 0 HE3 TRP A 36 5.140 11.002 -6.638 1.00 45.21 H new ATOM 0 HZ2 TRP A 36 9.138 8.694 -4.760 1.00 34.22 H new ATOM 0 HZ3 TRP A 36 6.650 9.706 -8.088 1.00 30.25 H new ATOM 0 HH2 TRP A 36 8.625 8.570 -7.156 1.00 53.24 H new ATOM 543 N PHE A 37 3.001 9.256 -2.403 1.00 40.24 N ATOM 544 CA PHE A 37 2.878 8.496 -1.171 1.00 72.01 C ATOM 545 C PHE A 37 3.981 7.454 -1.063 1.00 62.30 C ATOM 546 O PHE A 37 3.858 6.494 -0.312 1.00 75.24 O ATOM 547 CB PHE A 37 1.501 7.821 -1.104 1.00 55.23 C ATOM 548 CG PHE A 37 1.048 7.226 -2.415 1.00 1.04 C ATOM 549 CD1 PHE A 37 1.743 6.179 -3.001 1.00 74.43 C ATOM 550 CD2 PHE A 37 -0.070 7.723 -3.065 1.00 25.10 C ATOM 551 CE1 PHE A 37 1.333 5.642 -4.203 1.00 32.34 C ATOM 552 CE2 PHE A 37 -0.486 7.186 -4.269 1.00 11.31 C ATOM 553 CZ PHE A 37 0.219 6.146 -4.840 1.00 71.43 C ATOM 0 H PHE A 37 3.121 8.683 -3.238 1.00 40.24 H new ATOM 0 HA PHE A 37 2.978 9.184 -0.332 1.00 72.01 H new ATOM 0 HB2 PHE A 37 1.529 7.035 -0.350 1.00 55.23 H new ATOM 0 HB3 PHE A 37 0.764 8.553 -0.774 1.00 55.23 H new ATOM 0 HD1 PHE A 37 2.617 5.779 -2.509 1.00 74.43 H new ATOM 0 HD2 PHE A 37 -0.623 8.540 -2.626 1.00 25.10 H new ATOM 0 HE1 PHE A 37 1.885 4.826 -4.646 1.00 32.34 H new ATOM 0 HE2 PHE A 37 -1.362 7.580 -4.762 1.00 11.31 H new ATOM 0 HZ PHE A 37 -0.101 5.728 -5.783 1.00 71.43 H new ATOM 562 N GLU A 38 5.065 7.662 -1.808 1.00 75.10 N ATOM 563 CA GLU A 38 6.150 6.683 -1.891 1.00 61.24 C ATOM 564 C GLU A 38 5.619 5.310 -2.292 1.00 52.01 C ATOM 565 O GLU A 38 4.447 5.148 -2.611 1.00 2.53 O ATOM 566 CB GLU A 38 6.912 6.565 -0.564 1.00 41.25 C ATOM 567 CG GLU A 38 7.678 7.812 -0.186 1.00 22.43 C ATOM 568 CD GLU A 38 8.980 7.494 0.525 1.00 2.25 C ATOM 569 OE1 GLU A 38 8.948 6.831 1.583 1.00 13.13 O ATOM 570 OE2 GLU A 38 10.045 7.901 0.025 1.00 2.21 O ATOM 0 H GLU A 38 5.217 8.503 -2.365 1.00 75.10 H new ATOM 0 HA GLU A 38 6.839 7.041 -2.656 1.00 61.24 H new ATOM 0 HB2 GLU A 38 6.204 6.330 0.231 1.00 41.25 H new ATOM 0 HB3 GLU A 38 7.608 5.728 -0.629 1.00 41.25 H new ATOM 0 HG2 GLU A 38 7.889 8.392 -1.084 1.00 22.43 H new ATOM 0 HG3 GLU A 38 7.058 8.436 0.458 1.00 22.43 H new ATOM 575 N LEU A 39 6.499 4.339 -2.334 1.00 62.14 N ATOM 576 CA LEU A 39 6.079 2.969 -2.563 1.00 40.41 C ATOM 577 C LEU A 39 7.060 2.011 -1.919 1.00 25.23 C ATOM 578 O LEU A 39 8.271 2.190 -2.025 1.00 13.12 O ATOM 579 CB LEU A 39 5.919 2.683 -4.062 1.00 72.21 C ATOM 580 CG LEU A 39 5.121 1.417 -4.396 1.00 63.01 C ATOM 581 CD1 LEU A 39 3.907 1.300 -3.488 1.00 31.43 C ATOM 582 CD2 LEU A 39 4.681 1.435 -5.854 1.00 22.20 C ATOM 0 H LEU A 39 7.504 4.465 -2.214 1.00 62.14 H new ATOM 0 HA LEU A 39 5.103 2.822 -2.101 1.00 40.41 H new ATOM 0 HB2 LEU A 39 5.430 3.537 -4.530 1.00 72.21 H new ATOM 0 HB3 LEU A 39 6.910 2.599 -4.509 1.00 72.21 H new ATOM 0 HG LEU A 39 5.765 0.553 -4.234 1.00 63.01 H new ATOM 0 HD11 LEU A 39 3.351 0.396 -3.738 1.00 31.43 H new ATOM 0 HD12 LEU A 39 4.233 1.250 -2.449 1.00 31.43 H new ATOM 0 HD13 LEU A 39 3.265 2.170 -3.625 1.00 31.43 H new ATOM 0 HD21 LEU A 39 4.116 0.529 -6.075 1.00 22.20 H new ATOM 0 HD22 LEU A 39 4.053 2.308 -6.034 1.00 22.20 H new ATOM 0 HD23 LEU A 39 5.559 1.481 -6.498 1.00 22.20 H new ATOM 593 N GLU A 40 6.533 1.014 -1.232 1.00 33.22 N ATOM 594 CA GLU A 40 7.361 0.016 -0.584 1.00 45.40 C ATOM 595 C GLU A 40 6.786 -1.373 -0.814 1.00 10.31 C ATOM 596 O GLU A 40 5.566 -1.561 -0.824 1.00 42.12 O ATOM 597 CB GLU A 40 7.458 0.294 0.917 1.00 2.14 C ATOM 598 CG GLU A 40 8.384 -0.659 1.652 1.00 11.40 C ATOM 599 CD GLU A 40 9.807 -0.584 1.148 1.00 50.24 C ATOM 600 OE1 GLU A 40 10.571 0.267 1.653 1.00 54.11 O ATOM 601 OE2 GLU A 40 10.160 -1.372 0.249 1.00 40.12 O ATOM 0 H GLU A 40 5.530 0.875 -1.109 1.00 33.22 H new ATOM 0 HA GLU A 40 8.360 0.065 -1.016 1.00 45.40 H new ATOM 0 HB2 GLU A 40 7.808 1.315 1.067 1.00 2.14 H new ATOM 0 HB3 GLU A 40 6.462 0.230 1.355 1.00 2.14 H new ATOM 0 HG2 GLU A 40 8.366 -0.429 2.717 1.00 11.40 H new ATOM 0 HG3 GLU A 40 8.015 -1.679 1.540 1.00 11.40 H new ATOM 606 N VAL A 41 7.671 -2.337 -0.991 1.00 4.41 N ATOM 607 CA VAL A 41 7.271 -3.716 -1.194 1.00 1.22 C ATOM 608 C VAL A 41 7.974 -4.591 -0.173 1.00 50.04 C ATOM 609 O VAL A 41 9.181 -4.815 -0.256 1.00 43.54 O ATOM 610 CB VAL A 41 7.607 -4.217 -2.618 1.00 43.23 C ATOM 611 CG1 VAL A 41 7.151 -5.657 -2.808 1.00 22.44 C ATOM 612 CG2 VAL A 41 6.975 -3.318 -3.672 1.00 62.24 C ATOM 0 H VAL A 41 8.680 -2.187 -0.998 1.00 4.41 H new ATOM 0 HA VAL A 41 6.189 -3.773 -1.072 1.00 1.22 H new ATOM 0 HB VAL A 41 8.690 -4.180 -2.739 1.00 43.23 H new ATOM 0 HG11 VAL A 41 7.398 -5.987 -3.817 1.00 22.44 H new ATOM 0 HG12 VAL A 41 7.655 -6.297 -2.083 1.00 22.44 H new ATOM 0 HG13 VAL A 41 6.073 -5.720 -2.660 1.00 22.44 H new ATOM 0 HG21 VAL A 41 7.225 -3.690 -4.665 1.00 62.24 H new ATOM 0 HG22 VAL A 41 5.892 -3.317 -3.547 1.00 62.24 H new ATOM 0 HG23 VAL A 41 7.355 -2.302 -3.559 1.00 62.24 H new ATOM 622 N ILE A 42 7.222 -5.068 0.801 1.00 21.25 N ATOM 623 CA ILE A 42 7.798 -5.847 1.879 1.00 35.02 C ATOM 624 C ILE A 42 7.415 -7.312 1.748 1.00 43.23 C ATOM 625 O ILE A 42 6.236 -7.667 1.801 1.00 1.12 O ATOM 626 CB ILE A 42 7.379 -5.298 3.259 1.00 74.22 C ATOM 627 CG1 ILE A 42 7.891 -3.859 3.410 1.00 64.44 C ATOM 628 CG2 ILE A 42 7.917 -6.184 4.377 1.00 30.25 C ATOM 629 CD1 ILE A 42 7.551 -3.213 4.735 1.00 32.53 C ATOM 0 H ILE A 42 6.214 -4.930 0.867 1.00 21.25 H new ATOM 0 HA ILE A 42 8.882 -5.764 1.803 1.00 35.02 H new ATOM 0 HB ILE A 42 6.291 -5.299 3.330 1.00 74.22 H new ATOM 0 HG12 ILE A 42 8.974 -3.856 3.285 1.00 64.44 H new ATOM 0 HG13 ILE A 42 7.476 -3.252 2.606 1.00 64.44 H new ATOM 0 HG21 ILE A 42 7.610 -5.779 5.341 1.00 30.25 H new ATOM 0 HG22 ILE A 42 7.521 -7.193 4.264 1.00 30.25 H new ATOM 0 HG23 ILE A 42 9.005 -6.214 4.326 1.00 30.25 H new ATOM 0 HD11 ILE A 42 7.950 -2.199 4.758 1.00 32.53 H new ATOM 0 HD12 ILE A 42 6.468 -3.180 4.857 1.00 32.53 H new ATOM 0 HD13 ILE A 42 7.990 -3.794 5.546 1.00 32.53 H new ATOM 640 N ASN A 43 8.423 -8.145 1.543 1.00 52.44 N ATOM 641 CA ASN A 43 8.228 -9.577 1.394 1.00 64.40 C ATOM 642 C ASN A 43 7.960 -10.214 2.745 1.00 73.31 C ATOM 643 O ASN A 43 8.866 -10.346 3.570 1.00 20.54 O ATOM 644 CB ASN A 43 9.460 -10.220 0.746 1.00 73.33 C ATOM 645 CG ASN A 43 9.657 -9.787 -0.696 1.00 32.40 C ATOM 646 OD1 ASN A 43 10.234 -8.732 -0.964 1.00 34.35 O ATOM 647 ND2 ASN A 43 9.220 -10.612 -1.634 1.00 23.22 N ATOM 0 H ASN A 43 9.396 -7.848 1.475 1.00 52.44 H new ATOM 0 HA ASN A 43 7.366 -9.743 0.748 1.00 64.40 H new ATOM 0 HB2 ASN A 43 10.347 -9.959 1.324 1.00 73.33 H new ATOM 0 HB3 ASN A 43 9.361 -11.305 0.785 1.00 73.33 H new ATOM 0 HD21 ASN A 43 9.357 -10.383 -2.619 1.00 23.22 H new ATOM 0 HD22 ASN A 43 8.747 -11.477 -1.372 1.00 23.22 H new ATOM 653 N ILE A 44 6.714 -10.597 2.972 1.00 55.42 N ATOM 654 CA ILE A 44 6.324 -11.215 4.231 1.00 61.02 C ATOM 655 C ILE A 44 6.702 -12.691 4.244 1.00 20.55 C ATOM 656 O ILE A 44 6.638 -13.348 5.281 1.00 35.11 O ATOM 657 CB ILE A 44 4.808 -11.075 4.488 1.00 73.21 C ATOM 658 CG1 ILE A 44 4.003 -11.900 3.481 1.00 12.12 C ATOM 659 CG2 ILE A 44 4.395 -9.611 4.423 1.00 71.45 C ATOM 660 CD1 ILE A 44 2.521 -11.956 3.790 1.00 50.45 C ATOM 0 H ILE A 44 5.954 -10.491 2.300 1.00 55.42 H new ATOM 0 HA ILE A 44 6.860 -10.694 5.024 1.00 61.02 H new ATOM 0 HB ILE A 44 4.595 -11.457 5.486 1.00 73.21 H new ATOM 0 HG12 ILE A 44 4.142 -11.479 2.485 1.00 12.12 H new ATOM 0 HG13 ILE A 44 4.399 -12.915 3.456 1.00 12.12 H new ATOM 0 HG21 ILE A 44 3.324 -9.527 4.606 1.00 71.45 H new ATOM 0 HG22 ILE A 44 4.938 -9.046 5.180 1.00 71.45 H new ATOM 0 HG23 ILE A 44 4.627 -9.211 3.436 1.00 71.45 H new ATOM 0 HD11 ILE A 44 2.014 -12.557 3.035 1.00 50.45 H new ATOM 0 HD12 ILE A 44 2.371 -12.405 4.772 1.00 50.45 H new ATOM 0 HD13 ILE A 44 2.110 -10.946 3.786 1.00 50.45 H new ATOM 671 N ASP A 45 7.110 -13.183 3.076 1.00 42.02 N ATOM 672 CA ASP A 45 7.481 -14.587 2.875 1.00 51.24 C ATOM 673 C ASP A 45 8.427 -15.108 3.960 1.00 21.13 C ATOM 674 O ASP A 45 8.255 -16.225 4.455 1.00 54.41 O ATOM 675 CB ASP A 45 8.127 -14.742 1.496 1.00 21.24 C ATOM 676 CG ASP A 45 8.685 -16.129 1.249 1.00 33.05 C ATOM 677 OD1 ASP A 45 7.889 -17.077 1.091 1.00 33.22 O ATOM 678 OD2 ASP A 45 9.925 -16.272 1.197 1.00 62.03 O ATOM 0 H ASP A 45 7.194 -12.615 2.233 1.00 42.02 H new ATOM 0 HA ASP A 45 6.571 -15.184 2.939 1.00 51.24 H new ATOM 0 HB2 ASP A 45 7.388 -14.513 0.728 1.00 21.24 H new ATOM 0 HB3 ASP A 45 8.929 -14.011 1.394 1.00 21.24 H new ATOM 682 N GLY A 46 9.410 -14.300 4.338 1.00 33.15 N ATOM 683 CA GLY A 46 10.386 -14.734 5.322 1.00 32.11 C ATOM 684 C GLY A 46 10.041 -14.307 6.738 1.00 54.35 C ATOM 685 O GLY A 46 10.915 -14.251 7.604 1.00 73.23 O ATOM 0 H GLY A 46 9.550 -13.354 3.982 1.00 33.15 H new ATOM 0 HA2 GLY A 46 10.469 -15.820 5.287 1.00 32.11 H new ATOM 0 HA3 GLY A 46 11.363 -14.331 5.056 1.00 32.11 H new ATOM 689 N ASN A 47 8.772 -14.006 6.985 1.00 14.40 N ATOM 690 CA ASN A 47 8.336 -13.593 8.313 1.00 71.21 C ATOM 691 C ASN A 47 7.123 -14.404 8.756 1.00 13.45 C ATOM 692 O ASN A 47 6.071 -14.359 8.118 1.00 10.21 O ATOM 693 CB ASN A 47 7.997 -12.103 8.337 1.00 11.54 C ATOM 694 CG ASN A 47 7.768 -11.590 9.744 1.00 52.31 C ATOM 695 OD1 ASN A 47 6.653 -11.627 10.253 1.00 33.15 O ATOM 696 ND2 ASN A 47 8.823 -11.109 10.383 1.00 25.31 N ATOM 0 H ASN A 47 8.030 -14.040 6.286 1.00 14.40 H new ATOM 0 HA ASN A 47 9.158 -13.776 9.005 1.00 71.21 H new ATOM 0 HB2 ASN A 47 8.808 -11.540 7.875 1.00 11.54 H new ATOM 0 HB3 ASN A 47 7.104 -11.926 7.738 1.00 11.54 H new ATOM 0 HD21 ASN A 47 8.725 -10.752 11.333 1.00 25.31 H new ATOM 0 HD22 ASN A 47 9.734 -11.096 9.925 1.00 25.31 H new ATOM 702 N GLU A 48 7.273 -15.124 9.859 1.00 72.14 N ATOM 703 CA GLU A 48 6.221 -16.008 10.351 1.00 41.11 C ATOM 704 C GLU A 48 5.058 -15.226 10.964 1.00 61.30 C ATOM 705 O GLU A 48 3.950 -15.748 11.081 1.00 52.43 O ATOM 706 CB GLU A 48 6.799 -16.988 11.373 1.00 64.10 C ATOM 707 CG GLU A 48 7.853 -17.916 10.789 1.00 70.44 C ATOM 708 CD GLU A 48 8.498 -18.798 11.837 1.00 55.33 C ATOM 709 OE1 GLU A 48 9.495 -18.363 12.448 1.00 12.33 O ATOM 710 OE2 GLU A 48 8.012 -19.923 12.062 1.00 70.32 O ATOM 0 H GLU A 48 8.116 -15.114 10.433 1.00 72.14 H new ATOM 0 HA GLU A 48 5.827 -16.562 9.499 1.00 41.11 H new ATOM 0 HB2 GLU A 48 7.237 -16.426 12.198 1.00 64.10 H new ATOM 0 HB3 GLU A 48 5.989 -17.587 11.790 1.00 64.10 H new ATOM 0 HG2 GLU A 48 7.396 -18.543 10.023 1.00 70.44 H new ATOM 0 HG3 GLU A 48 8.622 -17.321 10.296 1.00 70.44 H new ATOM 715 N HIS A 49 5.304 -13.979 11.357 1.00 23.21 N ATOM 716 CA HIS A 49 4.237 -13.134 11.897 1.00 74.41 C ATOM 717 C HIS A 49 3.367 -12.597 10.772 1.00 42.10 C ATOM 718 O HIS A 49 2.151 -12.781 10.764 1.00 23.42 O ATOM 719 CB HIS A 49 4.799 -11.957 12.704 1.00 53.11 C ATOM 720 CG HIS A 49 5.369 -12.333 14.035 1.00 74.41 C ATOM 721 ND1 HIS A 49 6.619 -11.934 14.456 1.00 71.10 N ATOM 722 CD2 HIS A 49 4.842 -13.053 15.054 1.00 20.33 C ATOM 723 CE1 HIS A 49 6.838 -12.395 15.672 1.00 65.45 C ATOM 724 NE2 HIS A 49 5.775 -13.073 16.058 1.00 3.04 N ATOM 0 H HIS A 49 6.220 -13.533 11.314 1.00 23.21 H new ATOM 0 HA HIS A 49 3.639 -13.756 12.563 1.00 74.41 H new ATOM 0 HB2 HIS A 49 5.575 -11.467 12.116 1.00 53.11 H new ATOM 0 HB3 HIS A 49 4.005 -11.226 12.856 1.00 53.11 H new ATOM 0 HD2 HIS A 49 3.870 -13.523 15.072 1.00 20.33 H new ATOM 0 HE1 HIS A 49 7.736 -12.243 16.253 1.00 65.45 H new ATOM 0 HE2 HIS A 49 5.665 -13.538 16.959 1.00 3.04 H new ATOM 731 N LEU A 50 4.009 -11.947 9.811 1.00 34.40 N ATOM 732 CA LEU A 50 3.304 -11.305 8.712 1.00 53.52 C ATOM 733 C LEU A 50 2.595 -12.327 7.833 1.00 35.34 C ATOM 734 O LEU A 50 1.474 -12.093 7.395 1.00 11.42 O ATOM 735 CB LEU A 50 4.267 -10.460 7.880 1.00 43.33 C ATOM 736 CG LEU A 50 4.932 -9.303 8.632 1.00 33.24 C ATOM 737 CD1 LEU A 50 5.857 -8.531 7.710 1.00 52.15 C ATOM 738 CD2 LEU A 50 3.888 -8.375 9.238 1.00 73.32 C ATOM 0 H LEU A 50 5.024 -11.851 9.771 1.00 34.40 H new ATOM 0 HA LEU A 50 2.544 -10.651 9.141 1.00 53.52 H new ATOM 0 HB2 LEU A 50 5.046 -11.110 7.483 1.00 43.33 H new ATOM 0 HB3 LEU A 50 3.725 -10.054 7.026 1.00 43.33 H new ATOM 0 HG LEU A 50 5.524 -9.724 9.445 1.00 33.24 H new ATOM 0 HD11 LEU A 50 6.321 -7.713 8.261 1.00 52.15 H new ATOM 0 HD12 LEU A 50 6.631 -9.197 7.330 1.00 52.15 H new ATOM 0 HD13 LEU A 50 5.284 -8.127 6.875 1.00 52.15 H new ATOM 0 HD21 LEU A 50 4.386 -7.562 9.766 1.00 73.32 H new ATOM 0 HD22 LEU A 50 3.263 -7.963 8.445 1.00 73.32 H new ATOM 0 HD23 LEU A 50 3.266 -8.934 9.937 1.00 73.32 H new ATOM 749 N THR A 51 3.239 -13.463 7.584 1.00 34.11 N ATOM 750 CA THR A 51 2.606 -14.535 6.818 1.00 21.12 C ATOM 751 C THR A 51 1.350 -15.045 7.532 1.00 24.30 C ATOM 752 O THR A 51 0.330 -15.303 6.906 1.00 21.23 O ATOM 753 CB THR A 51 3.573 -15.713 6.572 1.00 65.24 C ATOM 754 OG1 THR A 51 4.745 -15.250 5.898 1.00 51.14 O ATOM 755 CG2 THR A 51 2.913 -16.805 5.738 1.00 75.32 C ATOM 0 H THR A 51 4.188 -13.666 7.897 1.00 34.11 H new ATOM 0 HA THR A 51 2.327 -14.113 5.852 1.00 21.12 H new ATOM 0 HB THR A 51 3.843 -16.131 7.542 1.00 65.24 H new ATOM 0 HG1 THR A 51 5.379 -14.890 6.553 1.00 51.14 H new ATOM 0 HG21 THR A 51 3.619 -17.621 5.582 1.00 75.32 H new ATOM 0 HG22 THR A 51 2.034 -17.181 6.261 1.00 75.32 H new ATOM 0 HG23 THR A 51 2.613 -16.395 4.774 1.00 75.32 H new ATOM 763 N ARG A 52 1.420 -15.151 8.851 1.00 71.21 N ATOM 764 CA ARG A 52 0.295 -15.640 9.641 1.00 72.34 C ATOM 765 C ARG A 52 -0.873 -14.664 9.568 1.00 42.24 C ATOM 766 O ARG A 52 -2.038 -15.059 9.643 1.00 40.53 O ATOM 767 CB ARG A 52 0.715 -15.851 11.097 1.00 21.34 C ATOM 768 CG ARG A 52 0.553 -17.285 11.572 1.00 23.54 C ATOM 769 CD ARG A 52 -0.908 -17.710 11.559 1.00 34.52 C ATOM 770 NE ARG A 52 -1.078 -19.119 11.908 1.00 14.31 N ATOM 771 CZ ARG A 52 -2.250 -19.664 12.238 1.00 63.24 C ATOM 772 NH1 ARG A 52 -3.344 -18.913 12.300 1.00 41.12 N ATOM 773 NH2 ARG A 52 -2.331 -20.959 12.514 1.00 13.04 N ATOM 0 H ARG A 52 2.244 -14.905 9.399 1.00 71.21 H new ATOM 0 HA ARG A 52 -0.024 -16.597 9.227 1.00 72.34 H new ATOM 0 HB2 ARG A 52 1.757 -15.554 11.213 1.00 21.34 H new ATOM 0 HB3 ARG A 52 0.123 -15.196 11.736 1.00 21.34 H new ATOM 0 HG2 ARG A 52 1.133 -17.950 10.932 1.00 23.54 H new ATOM 0 HG3 ARG A 52 0.954 -17.384 12.581 1.00 23.54 H new ATOM 0 HD2 ARG A 52 -1.470 -17.094 12.261 1.00 34.52 H new ATOM 0 HD3 ARG A 52 -1.328 -17.530 10.569 1.00 34.52 H new ATOM 0 HE ARG A 52 -0.254 -19.720 11.899 1.00 14.31 H new ATOM 0 HH11 ARG A 52 -3.290 -17.915 12.095 1.00 41.12 H new ATOM 0 HH12 ARG A 52 -4.238 -19.334 12.553 1.00 41.12 H new ATOM 0 HH21 ARG A 52 -1.495 -21.542 12.474 1.00 13.04 H new ATOM 0 HH22 ARG A 52 -3.229 -21.372 12.766 1.00 13.04 H new ATOM 784 N LEU A 53 -0.545 -13.391 9.434 1.00 24.43 N ATOM 785 CA LEU A 53 -1.543 -12.338 9.361 1.00 11.13 C ATOM 786 C LEU A 53 -2.068 -12.156 7.940 1.00 12.11 C ATOM 787 O LEU A 53 -3.270 -12.254 7.698 1.00 51.21 O ATOM 788 CB LEU A 53 -0.942 -11.021 9.854 1.00 31.22 C ATOM 789 CG LEU A 53 -0.618 -10.966 11.344 1.00 32.53 C ATOM 790 CD1 LEU A 53 0.297 -9.793 11.648 1.00 71.32 C ATOM 791 CD2 LEU A 53 -1.893 -10.851 12.154 1.00 62.15 C ATOM 0 H LEU A 53 0.417 -13.059 9.373 1.00 24.43 H new ATOM 0 HA LEU A 53 -2.380 -12.629 9.996 1.00 11.13 H new ATOM 0 HB2 LEU A 53 -0.028 -10.826 9.293 1.00 31.22 H new ATOM 0 HB3 LEU A 53 -1.637 -10.214 9.621 1.00 31.22 H new ATOM 0 HG LEU A 53 -0.106 -11.888 11.618 1.00 32.53 H new ATOM 0 HD11 LEU A 53 0.517 -9.770 12.715 1.00 71.32 H new ATOM 0 HD12 LEU A 53 1.226 -9.902 11.088 1.00 71.32 H new ATOM 0 HD13 LEU A 53 -0.194 -8.864 11.359 1.00 71.32 H new ATOM 0 HD21 LEU A 53 -1.648 -10.813 13.215 1.00 62.15 H new ATOM 0 HD22 LEU A 53 -2.423 -9.942 11.871 1.00 62.15 H new ATOM 0 HD23 LEU A 53 -2.527 -11.716 11.959 1.00 62.15 H new ATOM 802 N TYR A 54 -1.155 -11.920 7.003 1.00 25.33 N ATOM 803 CA TYR A 54 -1.525 -11.441 5.675 1.00 71.14 C ATOM 804 C TYR A 54 -1.335 -12.495 4.582 1.00 32.33 C ATOM 805 O TYR A 54 -1.263 -12.147 3.410 1.00 55.44 O ATOM 806 CB TYR A 54 -0.692 -10.201 5.324 1.00 32.31 C ATOM 807 CG TYR A 54 -0.706 -9.122 6.390 1.00 54.42 C ATOM 808 CD1 TYR A 54 -1.741 -8.197 6.462 1.00 33.04 C ATOM 809 CD2 TYR A 54 0.320 -9.028 7.323 1.00 42.03 C ATOM 810 CE1 TYR A 54 -1.752 -7.216 7.437 1.00 12.22 C ATOM 811 CE2 TYR A 54 0.312 -8.051 8.298 1.00 11.14 C ATOM 812 CZ TYR A 54 -0.724 -7.146 8.349 1.00 25.32 C ATOM 813 OH TYR A 54 -0.731 -6.167 9.319 1.00 20.31 O ATOM 0 H TYR A 54 -0.153 -12.053 7.139 1.00 25.33 H new ATOM 0 HA TYR A 54 -2.587 -11.200 5.713 1.00 71.14 H new ATOM 0 HB2 TYR A 54 0.339 -10.508 5.146 1.00 32.31 H new ATOM 0 HB3 TYR A 54 -1.064 -9.779 4.391 1.00 32.31 H new ATOM 0 HD1 TYR A 54 -2.548 -8.245 5.746 1.00 33.04 H new ATOM 0 HD2 TYR A 54 1.138 -9.732 7.284 1.00 42.03 H new ATOM 0 HE1 TYR A 54 -2.565 -6.507 7.482 1.00 12.22 H new ATOM 0 HE2 TYR A 54 1.115 -7.997 9.018 1.00 11.14 H new ATOM 0 HH TYR A 54 0.066 -6.259 9.882 1.00 20.31 H new ATOM 822 N ASN A 55 -1.261 -13.774 4.946 1.00 32.03 N ATOM 823 CA ASN A 55 -1.127 -14.841 3.942 1.00 22.22 C ATOM 824 C ASN A 55 -2.243 -14.767 2.902 1.00 51.14 C ATOM 825 O ASN A 55 -1.996 -14.827 1.695 1.00 12.22 O ATOM 826 CB ASN A 55 -1.156 -16.224 4.599 1.00 63.15 C ATOM 827 CG ASN A 55 -0.865 -17.343 3.615 1.00 14.32 C ATOM 828 OD1 ASN A 55 -0.092 -17.172 2.670 1.00 63.53 O ATOM 829 ND2 ASN A 55 -1.485 -18.493 3.822 1.00 23.04 N ATOM 0 H ASN A 55 -1.290 -14.099 5.912 1.00 32.03 H new ATOM 0 HA ASN A 55 -0.166 -14.693 3.450 1.00 22.22 H new ATOM 0 HB2 ASN A 55 -0.423 -16.255 5.406 1.00 63.15 H new ATOM 0 HB3 ASN A 55 -2.134 -16.387 5.051 1.00 63.15 H new ATOM 0 HD21 ASN A 55 -1.330 -19.277 3.188 1.00 23.04 H new ATOM 0 HD22 ASN A 55 -2.118 -18.596 4.616 1.00 23.04 H new ATOM 835 N ASP A 56 -3.475 -14.625 3.376 1.00 3.22 N ATOM 836 CA ASP A 56 -4.626 -14.579 2.479 1.00 25.31 C ATOM 837 C ASP A 56 -4.755 -13.210 1.818 1.00 43.01 C ATOM 838 O ASP A 56 -5.415 -13.073 0.787 1.00 31.24 O ATOM 839 CB ASP A 56 -5.924 -14.931 3.224 1.00 73.41 C ATOM 840 CG ASP A 56 -6.344 -13.885 4.244 1.00 54.42 C ATOM 841 OD1 ASP A 56 -7.020 -12.910 3.862 1.00 34.54 O ATOM 842 OD2 ASP A 56 -6.020 -14.052 5.439 1.00 12.13 O ATOM 0 H ASP A 56 -3.703 -14.540 4.367 1.00 3.22 H new ATOM 0 HA ASP A 56 -4.462 -15.324 1.700 1.00 25.31 H new ATOM 0 HB2 ASP A 56 -6.726 -15.060 2.497 1.00 73.41 H new ATOM 0 HB3 ASP A 56 -5.795 -15.888 3.730 1.00 73.41 H new ATOM 846 N ARG A 57 -4.094 -12.209 2.385 1.00 50.11 N ATOM 847 CA ARG A 57 -4.213 -10.851 1.898 1.00 13.53 C ATOM 848 C ARG A 57 -2.836 -10.248 1.647 1.00 35.42 C ATOM 849 O ARG A 57 -2.355 -9.424 2.419 1.00 70.24 O ATOM 850 CB ARG A 57 -5.009 -9.996 2.893 1.00 62.01 C ATOM 851 CG ARG A 57 -4.689 -10.304 4.351 1.00 73.33 C ATOM 852 CD ARG A 57 -5.460 -9.401 5.303 1.00 70.14 C ATOM 853 NE ARG A 57 -5.402 -9.877 6.685 1.00 22.33 N ATOM 854 CZ ARG A 57 -5.205 -9.091 7.741 1.00 11.33 C ATOM 855 NH1 ARG A 57 -5.016 -7.788 7.581 1.00 42.34 N ATOM 856 NH2 ARG A 57 -5.202 -9.612 8.961 1.00 11.11 N ATOM 0 H ARG A 57 -3.470 -12.318 3.184 1.00 50.11 H new ATOM 0 HA ARG A 57 -4.752 -10.868 0.951 1.00 13.53 H new ATOM 0 HB2 ARG A 57 -4.805 -8.943 2.699 1.00 62.01 H new ATOM 0 HB3 ARG A 57 -6.074 -10.151 2.722 1.00 62.01 H new ATOM 0 HG2 ARG A 57 -4.930 -11.346 4.563 1.00 73.33 H new ATOM 0 HG3 ARG A 57 -3.619 -10.183 4.522 1.00 73.33 H new ATOM 0 HD2 ARG A 57 -5.054 -8.391 5.251 1.00 70.14 H new ATOM 0 HD3 ARG A 57 -6.501 -9.343 4.984 1.00 70.14 H new ATOM 0 HE ARG A 57 -5.520 -10.877 6.850 1.00 22.33 H new ATOM 0 HH11 ARG A 57 -5.021 -7.383 6.645 1.00 42.34 H new ATOM 0 HH12 ARG A 57 -4.866 -7.191 8.394 1.00 42.34 H new ATOM 0 HH21 ARG A 57 -5.350 -10.613 9.088 1.00 11.11 H new ATOM 0 HH22 ARG A 57 -5.051 -9.012 9.772 1.00 11.11 H new ATOM 867 N VAL A 58 -2.191 -10.699 0.579 1.00 53.24 N ATOM 868 CA VAL A 58 -0.908 -10.134 0.173 1.00 1.21 C ATOM 869 C VAL A 58 -1.040 -8.976 -0.802 1.00 53.51 C ATOM 870 O VAL A 58 -0.114 -8.177 -0.923 1.00 63.52 O ATOM 871 CB VAL A 58 0.075 -11.176 -0.397 1.00 2.22 C ATOM 872 CG1 VAL A 58 0.801 -11.882 0.728 1.00 1.45 C ATOM 873 CG2 VAL A 58 -0.623 -12.196 -1.282 1.00 62.14 C ATOM 0 H VAL A 58 -2.532 -11.451 -0.020 1.00 53.24 H new ATOM 0 HA VAL A 58 -0.491 -9.752 1.105 1.00 1.21 H new ATOM 0 HB VAL A 58 0.794 -10.638 -1.015 1.00 2.22 H new ATOM 0 HG11 VAL A 58 1.492 -12.615 0.312 1.00 1.45 H new ATOM 0 HG12 VAL A 58 1.357 -11.152 1.316 1.00 1.45 H new ATOM 0 HG13 VAL A 58 0.077 -12.388 1.367 1.00 1.45 H new ATOM 0 HG21 VAL A 58 0.108 -12.910 -1.661 1.00 62.14 H new ATOM 0 HG22 VAL A 58 -1.379 -12.725 -0.701 1.00 62.14 H new ATOM 0 HG23 VAL A 58 -1.100 -11.686 -2.119 1.00 62.14 H new ATOM 883 N PRO A 59 -2.139 -8.838 -1.551 1.00 41.13 N ATOM 884 CA PRO A 59 -2.398 -7.576 -2.201 1.00 61.41 C ATOM 885 C PRO A 59 -2.980 -6.574 -1.200 1.00 75.00 C ATOM 886 O PRO A 59 -3.996 -5.927 -1.449 1.00 72.53 O ATOM 887 CB PRO A 59 -3.404 -7.921 -3.314 1.00 54.34 C ATOM 888 CG PRO A 59 -3.513 -9.410 -3.312 1.00 71.11 C ATOM 889 CD PRO A 59 -3.129 -9.850 -1.931 1.00 4.33 C ATOM 0 HA PRO A 59 -1.499 -7.108 -2.602 1.00 61.41 H new ATOM 0 HB2 PRO A 59 -4.372 -7.457 -3.124 1.00 54.34 H new ATOM 0 HB3 PRO A 59 -3.059 -7.555 -4.281 1.00 54.34 H new ATOM 0 HG2 PRO A 59 -4.527 -9.727 -3.555 1.00 71.11 H new ATOM 0 HG3 PRO A 59 -2.853 -9.851 -4.060 1.00 71.11 H new ATOM 0 HD2 PRO A 59 -3.983 -9.859 -1.254 1.00 4.33 H new ATOM 0 HD3 PRO A 59 -2.707 -10.855 -1.926 1.00 4.33 H new ATOM 894 N VAL A 60 -2.315 -6.465 -0.060 1.00 52.41 N ATOM 895 CA VAL A 60 -2.782 -5.639 1.037 1.00 33.45 C ATOM 896 C VAL A 60 -1.985 -4.337 1.092 1.00 64.44 C ATOM 897 O VAL A 60 -0.754 -4.341 1.016 1.00 22.10 O ATOM 898 CB VAL A 60 -2.704 -6.436 2.371 1.00 55.22 C ATOM 899 CG1 VAL A 60 -1.809 -5.792 3.413 1.00 22.41 C ATOM 900 CG2 VAL A 60 -4.085 -6.640 2.946 1.00 34.40 C ATOM 0 H VAL A 60 -1.436 -6.948 0.128 1.00 52.41 H new ATOM 0 HA VAL A 60 -3.826 -5.371 0.877 1.00 33.45 H new ATOM 0 HB VAL A 60 -2.255 -7.397 2.119 1.00 55.22 H new ATOM 0 HG11 VAL A 60 -1.803 -6.403 4.316 1.00 22.41 H new ATOM 0 HG12 VAL A 60 -0.795 -5.713 3.022 1.00 22.41 H new ATOM 0 HG13 VAL A 60 -2.185 -4.797 3.651 1.00 22.41 H new ATOM 0 HG21 VAL A 60 -4.012 -7.199 3.879 1.00 34.40 H new ATOM 0 HG22 VAL A 60 -4.546 -5.671 3.139 1.00 34.40 H new ATOM 0 HG23 VAL A 60 -4.696 -7.197 2.236 1.00 34.40 H new ATOM 910 N LEU A 61 -2.701 -3.225 1.194 1.00 4.33 N ATOM 911 CA LEU A 61 -2.086 -1.914 1.128 1.00 41.45 C ATOM 912 C LEU A 61 -2.115 -1.244 2.501 1.00 30.33 C ATOM 913 O LEU A 61 -3.183 -0.991 3.069 1.00 12.33 O ATOM 914 CB LEU A 61 -2.802 -1.063 0.064 1.00 30.14 C ATOM 915 CG LEU A 61 -2.062 0.194 -0.413 1.00 35.45 C ATOM 916 CD1 LEU A 61 -2.264 1.341 0.557 1.00 50.01 C ATOM 917 CD2 LEU A 61 -0.573 -0.092 -0.595 1.00 10.42 C ATOM 0 H LEU A 61 -3.713 -3.209 1.323 1.00 4.33 H new ATOM 0 HA LEU A 61 -1.040 -2.014 0.837 1.00 41.45 H new ATOM 0 HB2 LEU A 61 -2.999 -1.694 -0.803 1.00 30.14 H new ATOM 0 HB3 LEU A 61 -3.770 -0.759 0.463 1.00 30.14 H new ATOM 0 HG LEU A 61 -2.479 0.484 -1.378 1.00 35.45 H new ATOM 0 HD11 LEU A 61 -1.730 2.220 0.197 1.00 50.01 H new ATOM 0 HD12 LEU A 61 -3.327 1.569 0.635 1.00 50.01 H new ATOM 0 HD13 LEU A 61 -1.880 1.060 1.538 1.00 50.01 H new ATOM 0 HD21 LEU A 61 -0.068 0.812 -0.934 1.00 10.42 H new ATOM 0 HD22 LEU A 61 -0.145 -0.413 0.355 1.00 10.42 H new ATOM 0 HD23 LEU A 61 -0.442 -0.880 -1.337 1.00 10.42 H new ATOM 928 N PHE A 62 -0.926 -0.961 3.011 1.00 10.20 N ATOM 929 CA PHE A 62 -0.735 -0.430 4.355 1.00 70.04 C ATOM 930 C PHE A 62 -0.351 1.051 4.306 1.00 5.21 C ATOM 931 O PHE A 62 0.478 1.459 3.492 1.00 14.24 O ATOM 932 CB PHE A 62 0.362 -1.249 5.047 1.00 41.14 C ATOM 933 CG PHE A 62 0.721 -0.795 6.433 1.00 73.10 C ATOM 934 CD1 PHE A 62 -0.027 -1.204 7.525 1.00 12.00 C ATOM 935 CD2 PHE A 62 1.821 0.023 6.645 1.00 22.15 C ATOM 936 CE1 PHE A 62 0.313 -0.801 8.803 1.00 45.50 C ATOM 937 CE2 PHE A 62 2.165 0.426 7.919 1.00 15.13 C ATOM 938 CZ PHE A 62 1.411 0.014 8.999 1.00 43.44 C ATOM 0 H PHE A 62 -0.055 -1.095 2.498 1.00 10.20 H new ATOM 0 HA PHE A 62 -1.666 -0.507 4.916 1.00 70.04 H new ATOM 0 HB2 PHE A 62 0.041 -2.290 5.095 1.00 41.14 H new ATOM 0 HB3 PHE A 62 1.259 -1.220 4.429 1.00 41.14 H new ATOM 0 HD1 PHE A 62 -0.884 -1.844 7.376 1.00 12.00 H new ATOM 0 HD2 PHE A 62 2.415 0.348 5.804 1.00 22.15 H new ATOM 0 HE1 PHE A 62 -0.279 -1.123 9.647 1.00 45.50 H new ATOM 0 HE2 PHE A 62 3.024 1.063 8.071 1.00 15.13 H new ATOM 0 HZ PHE A 62 1.679 0.329 9.997 1.00 43.44 H new ATOM 947 N ALA A 63 -0.954 1.843 5.183 1.00 5.11 N ATOM 948 CA ALA A 63 -0.685 3.272 5.241 1.00 33.04 C ATOM 949 C ALA A 63 0.390 3.587 6.279 1.00 64.24 C ATOM 950 O ALA A 63 0.163 3.450 7.486 1.00 63.41 O ATOM 951 CB ALA A 63 -1.960 4.040 5.555 1.00 32.25 C ATOM 0 H ALA A 63 -1.636 1.517 5.867 1.00 5.11 H new ATOM 0 HA ALA A 63 -0.317 3.585 4.264 1.00 33.04 H new ATOM 0 HB1 ALA A 63 -1.742 5.107 5.595 1.00 32.25 H new ATOM 0 HB2 ALA A 63 -2.700 3.850 4.778 1.00 32.25 H new ATOM 0 HB3 ALA A 63 -2.353 3.714 6.518 1.00 32.25 H new ATOM 957 N VAL A 64 1.554 4.007 5.808 1.00 42.11 N ATOM 958 CA VAL A 64 2.657 4.372 6.687 1.00 33.01 C ATOM 959 C VAL A 64 2.527 5.831 7.108 1.00 44.24 C ATOM 960 O VAL A 64 2.876 6.740 6.358 1.00 10.41 O ATOM 961 CB VAL A 64 4.021 4.148 6.004 1.00 20.12 C ATOM 962 CG1 VAL A 64 5.168 4.501 6.935 1.00 20.25 C ATOM 963 CG2 VAL A 64 4.147 2.712 5.535 1.00 71.22 C ATOM 0 H VAL A 64 1.761 4.104 4.814 1.00 42.11 H new ATOM 0 HA VAL A 64 2.609 3.730 7.567 1.00 33.01 H new ATOM 0 HB VAL A 64 4.075 4.808 5.138 1.00 20.12 H new ATOM 0 HG11 VAL A 64 6.116 4.332 6.424 1.00 20.25 H new ATOM 0 HG12 VAL A 64 5.093 5.549 7.224 1.00 20.25 H new ATOM 0 HG13 VAL A 64 5.119 3.875 7.826 1.00 20.25 H new ATOM 0 HG21 VAL A 64 5.115 2.570 5.055 1.00 71.22 H new ATOM 0 HG22 VAL A 64 4.064 2.041 6.390 1.00 71.22 H new ATOM 0 HG23 VAL A 64 3.353 2.491 4.822 1.00 71.22 H new ATOM 973 N ASN A 65 1.991 6.032 8.303 1.00 64.30 N ATOM 974 CA ASN A 65 1.720 7.365 8.829 1.00 61.13 C ATOM 975 C ASN A 65 1.046 7.210 10.181 1.00 14.44 C ATOM 976 O ASN A 65 1.570 7.628 11.208 1.00 40.32 O ATOM 977 CB ASN A 65 0.790 8.140 7.887 1.00 32.05 C ATOM 978 CG ASN A 65 0.834 9.645 8.089 1.00 3.20 C ATOM 979 OD1 ASN A 65 2.023 10.185 8.302 1.00 33.11 O flip ATOM 980 ND2 ASN A 65 -0.194 10.318 8.011 1.00 61.22 N flip ATOM 0 H ASN A 65 1.731 5.276 8.937 1.00 64.30 H new ATOM 0 HA ASN A 65 2.655 7.918 8.920 1.00 61.13 H new ATOM 0 HB2 ASN A 65 1.060 7.912 6.856 1.00 32.05 H new ATOM 0 HB3 ASN A 65 -0.233 7.792 8.033 1.00 32.05 H new ATOM 0 HD21 ASN A 65 -1.091 9.862 7.846 1.00 61.22 H new ATOM 0 HD22 ASN A 65 -0.149 11.332 8.112 1.00 61.22 H new ATOM 986 N GLU A 66 -0.119 6.577 10.157 1.00 42.31 N ATOM 987 CA GLU A 66 -0.847 6.245 11.371 1.00 74.15 C ATOM 988 C GLU A 66 -0.731 4.742 11.637 1.00 23.21 C ATOM 989 O GLU A 66 -1.075 4.252 12.715 1.00 32.42 O ATOM 990 CB GLU A 66 -2.312 6.669 11.221 1.00 61.03 C ATOM 991 CG GLU A 66 -3.147 6.498 12.478 1.00 31.20 C ATOM 992 CD GLU A 66 -4.524 7.119 12.351 1.00 22.23 C ATOM 993 OE1 GLU A 66 -5.441 6.451 11.832 1.00 13.34 O ATOM 994 OE2 GLU A 66 -4.699 8.273 12.783 1.00 50.13 O ATOM 0 H GLU A 66 -0.583 6.281 9.298 1.00 42.31 H new ATOM 0 HA GLU A 66 -0.422 6.779 12.221 1.00 74.15 H new ATOM 0 HB2 GLU A 66 -2.345 7.715 10.917 1.00 61.03 H new ATOM 0 HB3 GLU A 66 -2.765 6.089 10.417 1.00 61.03 H new ATOM 0 HG2 GLU A 66 -3.250 5.436 12.700 1.00 31.20 H new ATOM 0 HG3 GLU A 66 -2.625 6.950 13.321 1.00 31.20 H new ATOM 999 N ASP A 67 -0.222 4.033 10.627 1.00 72.14 N ATOM 1000 CA ASP A 67 0.005 2.586 10.688 1.00 21.22 C ATOM 1001 C ASP A 67 -1.306 1.816 10.756 1.00 31.13 C ATOM 1002 O ASP A 67 -1.812 1.499 11.837 1.00 54.53 O ATOM 1003 CB ASP A 67 0.928 2.204 11.852 1.00 61.12 C ATOM 1004 CG ASP A 67 2.379 2.551 11.578 1.00 44.35 C ATOM 1005 OD1 ASP A 67 2.688 3.750 11.410 1.00 32.52 O ATOM 1006 OD2 ASP A 67 3.220 1.629 11.522 1.00 72.10 O ATOM 0 H ASP A 67 0.047 4.450 9.736 1.00 72.14 H new ATOM 0 HA ASP A 67 0.508 2.304 9.763 1.00 21.22 H new ATOM 0 HB2 ASP A 67 0.599 2.717 12.756 1.00 61.12 H new ATOM 0 HB3 ASP A 67 0.843 1.134 12.043 1.00 61.12 H new ATOM 1010 N LYS A 68 -1.850 1.532 9.579 1.00 22.54 N ATOM 1011 CA LYS A 68 -3.096 0.791 9.444 1.00 72.21 C ATOM 1012 C LYS A 68 -3.317 0.434 7.979 1.00 13.10 C ATOM 1013 O LYS A 68 -2.755 1.077 7.091 1.00 24.33 O ATOM 1014 CB LYS A 68 -4.270 1.623 9.972 1.00 74.45 C ATOM 1015 CG LYS A 68 -4.484 2.934 9.225 1.00 25.41 C ATOM 1016 CD LYS A 68 -5.449 3.846 9.967 1.00 0.31 C ATOM 1017 CE LYS A 68 -6.795 3.178 10.207 1.00 71.32 C ATOM 1018 NZ LYS A 68 -7.667 3.999 11.088 1.00 1.35 N ATOM 0 H LYS A 68 -1.437 1.811 8.689 1.00 22.54 H new ATOM 0 HA LYS A 68 -3.034 -0.125 10.031 1.00 72.21 H new ATOM 0 HB2 LYS A 68 -5.181 1.028 9.910 1.00 74.45 H new ATOM 0 HB3 LYS A 68 -4.103 1.841 11.027 1.00 74.45 H new ATOM 0 HG2 LYS A 68 -3.528 3.441 9.097 1.00 25.41 H new ATOM 0 HG3 LYS A 68 -4.871 2.727 8.227 1.00 25.41 H new ATOM 0 HD2 LYS A 68 -5.012 4.135 10.923 1.00 0.31 H new ATOM 0 HD3 LYS A 68 -5.596 4.761 9.394 1.00 0.31 H new ATOM 0 HE2 LYS A 68 -7.295 3.013 9.252 1.00 71.32 H new ATOM 0 HE3 LYS A 68 -6.640 2.199 10.659 1.00 71.32 H new ATOM 0 HZ1 LYS A 68 -7.947 3.439 11.919 1.00 1.35 H new ATOM 0 HZ2 LYS A 68 -7.148 4.845 11.399 1.00 1.35 H new ATOM 0 HZ3 LYS A 68 -8.517 4.288 10.563 1.00 1.35 H new ATOM 1028 N GLU A 69 -4.112 -0.593 7.727 1.00 24.54 N ATOM 1029 CA GLU A 69 -4.408 -1.010 6.360 1.00 22.31 C ATOM 1030 C GLU A 69 -5.521 -0.153 5.773 1.00 24.23 C ATOM 1031 O GLU A 69 -6.541 0.088 6.425 1.00 2.53 O ATOM 1032 CB GLU A 69 -4.824 -2.482 6.328 1.00 73.23 C ATOM 1033 CG GLU A 69 -3.779 -3.437 6.878 1.00 34.21 C ATOM 1034 CD GLU A 69 -4.346 -4.820 7.109 1.00 63.04 C ATOM 1035 OE1 GLU A 69 -4.689 -5.503 6.116 1.00 33.52 O ATOM 1036 OE2 GLU A 69 -4.478 -5.223 8.286 1.00 12.13 O ATOM 0 H GLU A 69 -4.565 -1.155 8.448 1.00 24.54 H new ATOM 0 HA GLU A 69 -3.506 -0.882 5.762 1.00 22.31 H new ATOM 0 HB2 GLU A 69 -5.744 -2.600 6.900 1.00 73.23 H new ATOM 0 HB3 GLU A 69 -5.050 -2.762 5.299 1.00 73.23 H new ATOM 0 HG2 GLU A 69 -2.942 -3.499 6.183 1.00 34.21 H new ATOM 0 HG3 GLU A 69 -3.386 -3.044 7.816 1.00 34.21 H new ATOM 1041 N LEU A 70 -5.324 0.309 4.547 1.00 44.43 N ATOM 1042 CA LEU A 70 -6.339 1.108 3.874 1.00 14.51 C ATOM 1043 C LEU A 70 -7.244 0.220 3.040 1.00 54.21 C ATOM 1044 O LEU A 70 -8.468 0.335 3.092 1.00 4.41 O ATOM 1045 CB LEU A 70 -5.710 2.164 2.960 1.00 75.12 C ATOM 1046 CG LEU A 70 -4.839 3.214 3.646 1.00 50.40 C ATOM 1047 CD1 LEU A 70 -4.428 4.274 2.638 1.00 23.25 C ATOM 1048 CD2 LEU A 70 -5.566 3.849 4.822 1.00 12.11 C ATOM 0 H LEU A 70 -4.478 0.147 4.001 1.00 44.43 H new ATOM 0 HA LEU A 70 -6.918 1.611 4.649 1.00 14.51 H new ATOM 0 HB2 LEU A 70 -5.105 1.653 2.211 1.00 75.12 H new ATOM 0 HB3 LEU A 70 -6.511 2.677 2.427 1.00 75.12 H new ATOM 0 HG LEU A 70 -3.947 2.724 4.036 1.00 50.40 H new ATOM 0 HD11 LEU A 70 -3.806 5.022 3.130 1.00 23.25 H new ATOM 0 HD12 LEU A 70 -3.864 3.808 1.830 1.00 23.25 H new ATOM 0 HD13 LEU A 70 -5.318 4.753 2.230 1.00 23.25 H new ATOM 0 HD21 LEU A 70 -4.921 4.592 5.290 1.00 12.11 H new ATOM 0 HD22 LEU A 70 -6.478 4.331 4.469 1.00 12.11 H new ATOM 0 HD23 LEU A 70 -5.821 3.079 5.551 1.00 12.11 H new ATOM 1059 N CYS A 71 -6.637 -0.676 2.281 1.00 42.50 N ATOM 1060 CA CYS A 71 -7.379 -1.457 1.315 1.00 40.02 C ATOM 1061 C CYS A 71 -6.712 -2.804 1.061 1.00 11.01 C ATOM 1062 O CYS A 71 -5.516 -2.976 1.301 1.00 51.24 O ATOM 1063 CB CYS A 71 -7.495 -0.666 0.009 1.00 13.30 C ATOM 1064 SG CYS A 71 -8.427 -1.497 -1.294 1.00 64.34 S ATOM 0 H CYS A 71 -5.638 -0.878 2.317 1.00 42.50 H new ATOM 0 HA CYS A 71 -8.374 -1.653 1.715 1.00 40.02 H new ATOM 0 HB2 CYS A 71 -7.969 0.293 0.221 1.00 13.30 H new ATOM 0 HB3 CYS A 71 -6.492 -0.451 -0.360 1.00 13.30 H new ATOM 0 HG CYS A 71 -9.691 -1.222 -1.166 1.00 64.34 H new ATOM 1069 N HIS A 72 -7.501 -3.753 0.588 1.00 4.51 N ATOM 1070 CA HIS A 72 -6.995 -5.049 0.173 1.00 24.42 C ATOM 1071 C HIS A 72 -7.499 -5.347 -1.229 1.00 64.50 C ATOM 1072 O HIS A 72 -8.700 -5.246 -1.489 1.00 75.43 O ATOM 1073 CB HIS A 72 -7.426 -6.158 1.152 1.00 22.04 C ATOM 1074 CG HIS A 72 -8.858 -6.072 1.601 1.00 12.41 C ATOM 1075 ND1 HIS A 72 -9.917 -6.583 0.882 1.00 25.01 N ATOM 1076 CD2 HIS A 72 -9.399 -5.505 2.705 1.00 52.15 C ATOM 1077 CE1 HIS A 72 -11.043 -6.338 1.526 1.00 24.40 C ATOM 1078 NE2 HIS A 72 -10.759 -5.684 2.635 1.00 54.24 N ATOM 0 H HIS A 72 -8.510 -3.647 0.481 1.00 4.51 H new ATOM 0 HA HIS A 72 -5.905 -5.023 0.175 1.00 24.42 H new ATOM 0 HB2 HIS A 72 -7.265 -7.126 0.678 1.00 22.04 H new ATOM 0 HB3 HIS A 72 -6.781 -6.121 2.030 1.00 22.04 H new ATOM 0 HD2 HIS A 72 -8.860 -5.004 3.496 1.00 52.15 H new ATOM 0 HE1 HIS A 72 -12.031 -6.625 1.199 1.00 24.40 H new ATOM 0 HE2 HIS A 72 -11.437 -5.364 3.327 1.00 54.24 H new ATOM 1085 N TYR A 73 -6.575 -5.708 -2.115 1.00 32.54 N ATOM 1086 CA TYR A 73 -6.872 -5.968 -3.526 1.00 30.44 C ATOM 1087 C TYR A 73 -7.288 -4.702 -4.265 1.00 41.31 C ATOM 1088 O TYR A 73 -7.973 -3.830 -3.720 1.00 34.14 O ATOM 1089 CB TYR A 73 -7.950 -7.043 -3.693 1.00 34.25 C ATOM 1090 CG TYR A 73 -7.492 -8.438 -3.334 1.00 32.24 C ATOM 1091 CD1 TYR A 73 -7.398 -8.849 -2.010 1.00 31.21 C ATOM 1092 CD2 TYR A 73 -7.151 -9.345 -4.328 1.00 62.13 C ATOM 1093 CE1 TYR A 73 -6.981 -10.126 -1.688 1.00 63.34 C ATOM 1094 CE2 TYR A 73 -6.736 -10.622 -4.015 1.00 62.22 C ATOM 1095 CZ TYR A 73 -6.651 -11.007 -2.694 1.00 4.20 C ATOM 1096 OH TYR A 73 -6.233 -12.280 -2.383 1.00 3.00 O ATOM 0 H TYR A 73 -5.591 -5.830 -1.875 1.00 32.54 H new ATOM 0 HA TYR A 73 -5.945 -6.335 -3.968 1.00 30.44 H new ATOM 0 HB2 TYR A 73 -8.807 -6.782 -3.072 1.00 34.25 H new ATOM 0 HB3 TYR A 73 -8.294 -7.040 -4.727 1.00 34.25 H new ATOM 0 HD1 TYR A 73 -7.655 -8.159 -1.220 1.00 31.21 H new ATOM 0 HD2 TYR A 73 -7.212 -9.045 -5.364 1.00 62.13 H new ATOM 0 HE1 TYR A 73 -6.914 -10.432 -0.654 1.00 63.34 H new ATOM 0 HE2 TYR A 73 -6.479 -11.317 -4.801 1.00 62.22 H new ATOM 0 HH TYR A 73 -6.041 -12.772 -3.208 1.00 3.00 H new ATOM 1105 N PHE A 74 -6.865 -4.627 -5.519 1.00 43.03 N ATOM 1106 CA PHE A 74 -7.197 -3.518 -6.405 1.00 40.14 C ATOM 1107 C PHE A 74 -6.731 -2.197 -5.805 1.00 33.50 C ATOM 1108 O PHE A 74 -5.554 -2.053 -5.478 1.00 71.02 O ATOM 1109 CB PHE A 74 -8.701 -3.502 -6.699 1.00 41.43 C ATOM 1110 CG PHE A 74 -9.194 -4.805 -7.261 1.00 55.34 C ATOM 1111 CD1 PHE A 74 -8.914 -5.157 -8.572 1.00 3.45 C ATOM 1112 CD2 PHE A 74 -9.921 -5.681 -6.474 1.00 4.14 C ATOM 1113 CE1 PHE A 74 -9.346 -6.363 -9.086 1.00 64.34 C ATOM 1114 CE2 PHE A 74 -10.359 -6.889 -6.984 1.00 62.34 C ATOM 1115 CZ PHE A 74 -10.072 -7.230 -8.291 1.00 0.53 C ATOM 0 H PHE A 74 -6.278 -5.338 -5.954 1.00 43.03 H new ATOM 0 HA PHE A 74 -6.674 -3.654 -7.351 1.00 40.14 H new ATOM 0 HB2 PHE A 74 -9.244 -3.278 -5.781 1.00 41.43 H new ATOM 0 HB3 PHE A 74 -8.921 -2.700 -7.404 1.00 41.43 H new ATOM 0 HD1 PHE A 74 -8.352 -4.480 -9.198 1.00 3.45 H new ATOM 0 HD2 PHE A 74 -10.148 -5.418 -5.451 1.00 4.14 H new ATOM 0 HE1 PHE A 74 -9.117 -6.629 -10.107 1.00 64.34 H new ATOM 0 HE2 PHE A 74 -10.925 -7.565 -6.361 1.00 62.34 H new ATOM 0 HZ PHE A 74 -10.414 -8.173 -8.692 1.00 0.53 H new ATOM 1124 N LEU A 75 -7.640 -1.246 -5.644 1.00 74.52 N ATOM 1125 CA LEU A 75 -7.276 0.051 -5.098 1.00 70.43 C ATOM 1126 C LEU A 75 -8.518 0.883 -4.812 1.00 35.22 C ATOM 1127 O LEU A 75 -9.218 1.303 -5.733 1.00 33.00 O ATOM 1128 CB LEU A 75 -6.363 0.801 -6.074 1.00 43.34 C ATOM 1129 CG LEU A 75 -5.427 1.823 -5.433 1.00 33.50 C ATOM 1130 CD1 LEU A 75 -4.490 1.128 -4.461 1.00 55.21 C ATOM 1131 CD2 LEU A 75 -4.627 2.553 -6.496 1.00 52.23 C ATOM 0 H LEU A 75 -8.627 -1.348 -5.882 1.00 74.52 H new ATOM 0 HA LEU A 75 -6.742 -0.112 -4.162 1.00 70.43 H new ATOM 0 HB2 LEU A 75 -5.762 0.072 -6.617 1.00 43.34 H new ATOM 0 HB3 LEU A 75 -6.985 1.312 -6.809 1.00 43.34 H new ATOM 0 HG LEU A 75 -6.027 2.553 -4.890 1.00 33.50 H new ATOM 0 HD11 LEU A 75 -3.825 1.863 -4.008 1.00 55.21 H new ATOM 0 HD12 LEU A 75 -5.073 0.637 -3.682 1.00 55.21 H new ATOM 0 HD13 LEU A 75 -3.898 0.384 -4.995 1.00 55.21 H new ATOM 0 HD21 LEU A 75 -3.966 3.277 -6.020 1.00 52.23 H new ATOM 0 HD22 LEU A 75 -4.033 1.835 -7.061 1.00 52.23 H new ATOM 0 HD23 LEU A 75 -5.307 3.072 -7.171 1.00 52.23 H new ATOM 1142 N ASP A 76 -8.804 1.104 -3.537 1.00 23.21 N ATOM 1143 CA ASP A 76 -9.888 1.999 -3.152 1.00 24.10 C ATOM 1144 C ASP A 76 -9.415 3.441 -3.200 1.00 23.24 C ATOM 1145 O ASP A 76 -8.900 3.974 -2.211 1.00 50.01 O ATOM 1146 CB ASP A 76 -10.434 1.667 -1.759 1.00 51.43 C ATOM 1147 CG ASP A 76 -11.471 0.560 -1.784 1.00 43.14 C ATOM 1148 OD1 ASP A 76 -12.615 0.821 -2.215 1.00 22.11 O ATOM 1149 OD2 ASP A 76 -11.152 -0.574 -1.368 1.00 74.11 O ATOM 0 H ASP A 76 -8.305 0.679 -2.755 1.00 23.21 H new ATOM 0 HA ASP A 76 -10.701 1.861 -3.865 1.00 24.10 H new ATOM 0 HB2 ASP A 76 -9.609 1.371 -1.111 1.00 51.43 H new ATOM 0 HB3 ASP A 76 -10.876 2.563 -1.324 1.00 51.43 H new ATOM 1153 N SER A 77 -9.576 4.054 -4.369 1.00 25.30 N ATOM 1154 CA SER A 77 -9.120 5.414 -4.616 1.00 32.33 C ATOM 1155 C SER A 77 -9.737 6.413 -3.638 1.00 62.33 C ATOM 1156 O SER A 77 -9.130 7.440 -3.322 1.00 10.44 O ATOM 1157 CB SER A 77 -9.450 5.810 -6.057 1.00 14.54 C ATOM 1158 OG SER A 77 -8.924 4.867 -6.977 1.00 4.11 O ATOM 0 H SER A 77 -10.028 3.618 -5.173 1.00 25.30 H new ATOM 0 HA SER A 77 -8.041 5.439 -4.463 1.00 32.33 H new ATOM 0 HB2 SER A 77 -10.531 5.880 -6.180 1.00 14.54 H new ATOM 0 HB3 SER A 77 -9.041 6.798 -6.269 1.00 14.54 H new ATOM 0 HG SER A 77 -9.149 5.141 -7.891 1.00 4.11 H new ATOM 1163 N ASP A 78 -10.928 6.103 -3.141 1.00 74.31 N ATOM 1164 CA ASP A 78 -11.624 6.998 -2.225 1.00 3.23 C ATOM 1165 C ASP A 78 -10.938 7.021 -0.861 1.00 0.44 C ATOM 1166 O ASP A 78 -10.696 8.087 -0.292 1.00 51.35 O ATOM 1167 CB ASP A 78 -13.083 6.570 -2.065 1.00 22.30 C ATOM 1168 CG ASP A 78 -13.903 7.591 -1.307 1.00 22.42 C ATOM 1169 OD1 ASP A 78 -13.807 7.642 -0.066 1.00 11.31 O ATOM 1170 OD2 ASP A 78 -14.658 8.346 -1.954 1.00 13.43 O ATOM 0 H ASP A 78 -11.431 5.242 -3.356 1.00 74.31 H new ATOM 0 HA ASP A 78 -11.593 8.002 -2.647 1.00 3.23 H new ATOM 0 HB2 ASP A 78 -13.523 6.413 -3.050 1.00 22.30 H new ATOM 0 HB3 ASP A 78 -13.123 5.615 -1.542 1.00 22.30 H new ATOM 1174 N VAL A 79 -10.607 5.839 -0.354 1.00 71.03 N ATOM 1175 CA VAL A 79 -10.007 5.716 0.969 1.00 1.05 C ATOM 1176 C VAL A 79 -8.575 6.235 0.977 1.00 43.44 C ATOM 1177 O VAL A 79 -8.185 6.979 1.877 1.00 2.34 O ATOM 1178 CB VAL A 79 -10.040 4.257 1.467 1.00 30.24 C ATOM 1179 CG1 VAL A 79 -9.283 4.103 2.779 1.00 44.42 C ATOM 1180 CG2 VAL A 79 -11.480 3.803 1.625 1.00 12.42 C ATOM 0 H VAL A 79 -10.744 4.952 -0.839 1.00 71.03 H new ATOM 0 HA VAL A 79 -10.602 6.327 1.648 1.00 1.05 H new ATOM 0 HB VAL A 79 -9.545 3.628 0.727 1.00 30.24 H new ATOM 0 HG11 VAL A 79 -9.325 3.063 3.103 1.00 44.42 H new ATOM 0 HG12 VAL A 79 -8.243 4.397 2.636 1.00 44.42 H new ATOM 0 HG13 VAL A 79 -9.738 4.739 3.538 1.00 44.42 H new ATOM 0 HG21 VAL A 79 -11.500 2.772 1.977 1.00 12.42 H new ATOM 0 HG22 VAL A 79 -11.986 4.443 2.348 1.00 12.42 H new ATOM 0 HG23 VAL A 79 -11.990 3.868 0.664 1.00 12.42 H new ATOM 1190 N ILE A 80 -7.797 5.865 -0.032 1.00 31.13 N ATOM 1191 CA ILE A 80 -6.434 6.368 -0.138 1.00 12.14 C ATOM 1192 C ILE A 80 -6.456 7.878 -0.366 1.00 34.14 C ATOM 1193 O ILE A 80 -5.543 8.588 0.040 1.00 12.35 O ATOM 1194 CB ILE A 80 -5.637 5.669 -1.267 1.00 2.25 C ATOM 1195 CG1 ILE A 80 -4.200 6.178 -1.316 1.00 13.10 C ATOM 1196 CG2 ILE A 80 -6.301 5.876 -2.605 1.00 45.24 C ATOM 1197 CD1 ILE A 80 -3.357 5.691 -0.168 1.00 25.11 C ATOM 0 H ILE A 80 -8.080 5.229 -0.777 1.00 31.13 H new ATOM 0 HA ILE A 80 -5.927 6.144 0.800 1.00 12.14 H new ATOM 0 HB ILE A 80 -5.622 4.602 -1.047 1.00 2.25 H new ATOM 0 HG12 ILE A 80 -3.742 5.863 -2.254 1.00 13.10 H new ATOM 0 HG13 ILE A 80 -4.208 7.268 -1.316 1.00 13.10 H new ATOM 0 HG21 ILE A 80 -5.721 5.375 -3.380 1.00 45.24 H new ATOM 0 HG22 ILE A 80 -7.308 5.460 -2.580 1.00 45.24 H new ATOM 0 HG23 ILE A 80 -6.354 6.943 -2.824 1.00 45.24 H new ATOM 0 HD11 ILE A 80 -2.347 6.090 -0.264 1.00 25.11 H new ATOM 0 HD12 ILE A 80 -3.793 6.029 0.772 1.00 25.11 H new ATOM 0 HD13 ILE A 80 -3.320 4.602 -0.180 1.00 25.11 H new ATOM 1208 N GLY A 81 -7.527 8.366 -0.987 1.00 24.22 N ATOM 1209 CA GLY A 81 -7.682 9.793 -1.186 1.00 61.02 C ATOM 1210 C GLY A 81 -7.887 10.522 0.127 1.00 44.51 C ATOM 1211 O GLY A 81 -7.390 11.629 0.316 1.00 33.14 O ATOM 0 H GLY A 81 -8.289 7.797 -1.355 1.00 24.22 H new ATOM 0 HA2 GLY A 81 -6.799 10.189 -1.688 1.00 61.02 H new ATOM 0 HA3 GLY A 81 -8.532 9.979 -1.842 1.00 61.02 H new ATOM 1215 N ALA A 82 -8.606 9.880 1.043 1.00 14.41 N ATOM 1216 CA ALA A 82 -8.859 10.442 2.366 1.00 41.21 C ATOM 1217 C ALA A 82 -7.569 10.506 3.184 1.00 61.11 C ATOM 1218 O ALA A 82 -7.426 11.336 4.081 1.00 2.54 O ATOM 1219 CB ALA A 82 -9.919 9.612 3.085 1.00 22.40 C ATOM 0 H ALA A 82 -9.027 8.963 0.891 1.00 14.41 H new ATOM 0 HA ALA A 82 -9.230 11.461 2.252 1.00 41.21 H new ATOM 0 HB1 ALA A 82 -10.105 10.035 4.072 1.00 22.40 H new ATOM 0 HB2 ALA A 82 -10.843 9.622 2.507 1.00 22.40 H new ATOM 0 HB3 ALA A 82 -9.568 8.586 3.190 1.00 22.40 H new ATOM 1225 N TYR A 83 -6.638 9.617 2.864 1.00 53.41 N ATOM 1226 CA TYR A 83 -5.344 9.569 3.535 1.00 4.30 C ATOM 1227 C TYR A 83 -4.329 10.497 2.857 1.00 42.22 C ATOM 1228 O TYR A 83 -3.590 11.224 3.523 1.00 72.31 O ATOM 1229 CB TYR A 83 -4.841 8.116 3.550 1.00 34.11 C ATOM 1230 CG TYR A 83 -3.375 7.954 3.882 1.00 63.42 C ATOM 1231 CD1 TYR A 83 -2.903 8.134 5.173 1.00 60.31 C ATOM 1232 CD2 TYR A 83 -2.466 7.612 2.894 1.00 20.13 C ATOM 1233 CE1 TYR A 83 -1.560 7.982 5.467 1.00 55.03 C ATOM 1234 CE2 TYR A 83 -1.126 7.458 3.178 1.00 1.40 C ATOM 1235 CZ TYR A 83 -0.677 7.643 4.460 1.00 71.44 C ATOM 1236 OH TYR A 83 0.665 7.504 4.732 1.00 33.23 O ATOM 0 H TYR A 83 -6.756 8.912 2.136 1.00 53.41 H new ATOM 0 HA TYR A 83 -5.461 9.921 4.560 1.00 4.30 H new ATOM 0 HB2 TYR A 83 -5.427 7.551 4.275 1.00 34.11 H new ATOM 0 HB3 TYR A 83 -5.029 7.672 2.573 1.00 34.11 H new ATOM 0 HD1 TYR A 83 -3.594 8.397 5.960 1.00 60.31 H new ATOM 0 HD2 TYR A 83 -2.814 7.463 1.882 1.00 20.13 H new ATOM 0 HE1 TYR A 83 -1.204 8.127 6.476 1.00 55.03 H new ATOM 0 HE2 TYR A 83 -0.433 7.193 2.394 1.00 1.40 H new ATOM 0 HH TYR A 83 0.950 6.591 4.516 1.00 33.23 H new ATOM 1245 N LEU A 84 -4.314 10.478 1.530 1.00 63.10 N ATOM 1246 CA LEU A 84 -3.323 11.214 0.748 1.00 63.51 C ATOM 1247 C LEU A 84 -3.614 12.713 0.697 1.00 60.31 C ATOM 1248 O LEU A 84 -2.691 13.530 0.724 1.00 53.44 O ATOM 1249 CB LEU A 84 -3.254 10.647 -0.677 1.00 54.21 C ATOM 1250 CG LEU A 84 -2.004 9.829 -0.997 1.00 0.55 C ATOM 1251 CD1 LEU A 84 -0.772 10.716 -1.023 1.00 14.33 C ATOM 1252 CD2 LEU A 84 -1.817 8.721 0.014 1.00 75.34 C ATOM 0 H LEU A 84 -4.984 9.955 0.966 1.00 63.10 H new ATOM 0 HA LEU A 84 -2.362 11.088 1.246 1.00 63.51 H new ATOM 0 HB2 LEU A 84 -4.130 10.020 -0.843 1.00 54.21 H new ATOM 0 HB3 LEU A 84 -3.316 11.475 -1.383 1.00 54.21 H new ATOM 0 HG LEU A 84 -2.138 9.386 -1.984 1.00 0.55 H new ATOM 0 HD11 LEU A 84 0.106 10.112 -1.253 1.00 14.33 H new ATOM 0 HD12 LEU A 84 -0.893 11.485 -1.786 1.00 14.33 H new ATOM 0 HD13 LEU A 84 -0.643 11.188 -0.049 1.00 14.33 H new ATOM 0 HD21 LEU A 84 -0.921 8.151 -0.233 1.00 75.34 H new ATOM 0 HD22 LEU A 84 -1.711 9.151 1.010 1.00 75.34 H new ATOM 0 HD23 LEU A 84 -2.684 8.061 -0.005 1.00 75.34 H new ATOM 1263 N SER A 85 -4.887 13.074 0.618 1.00 34.14 N ATOM 1264 CA SER A 85 -5.267 14.475 0.501 1.00 42.11 C ATOM 1265 C SER A 85 -5.784 15.014 1.835 1.00 55.34 C ATOM 1266 O SER A 85 -5.850 14.277 2.816 1.00 0.00 O ATOM 1267 CB SER A 85 -6.323 14.641 -0.594 1.00 42.43 C ATOM 1268 OG SER A 85 -5.862 14.104 -1.825 1.00 55.13 O ATOM 0 H SER A 85 -5.670 12.421 0.633 1.00 34.14 H new ATOM 0 HA SER A 85 -4.383 15.052 0.228 1.00 42.11 H new ATOM 0 HB2 SER A 85 -7.244 14.140 -0.296 1.00 42.43 H new ATOM 0 HB3 SER A 85 -6.561 15.697 -0.719 1.00 42.43 H new ATOM 0 HG SER A 85 -6.552 14.219 -2.511 1.00 55.13 H new