USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.601 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 15 MET CE :methyl -143:sc= 0 (180deg=-0.233) USER MOD Single : A 18 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.83! C(o=-1.8!,f=-7.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 28 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.75) USER MOD Single : A 31 TYR OH : rot -30:sc= -2.39! USER MOD Single : A 32 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.8!) USER MOD Single : A 35 MET CE :methyl 179:sc= -0.191 (180deg=-0.191) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= 1.19 (180deg=0.242) USER MOD Single : A 46 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.7!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.038) USER MOD Single : A 51 SER OG : rot -28:sc= 0.724 USER MOD Single : A 54 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.32) USER MOD Single : A 55 ASN : amide:sc= -7.58! C(o=-7.6!,f=-15!) USER MOD Single : A 57 SER OG : rot -49:sc= 0.0416 USER MOD Single : A 59 ASN : amide:sc= -0.825 K(o=-0.82,f=-1.7) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= -1.05 (180deg=-1.77) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0416 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.459 13.589 0.593 1.00 0.59 N ATOM 78 CA PRO A 5 -11.336 14.103 1.429 1.00 0.58 C ATOM 79 C PRO A 5 -10.141 14.546 0.570 1.00 0.56 C ATOM 80 O PRO A 5 -9.916 14.008 -0.496 1.00 0.67 O ATOM 81 CB PRO A 5 -10.957 12.898 2.295 1.00 0.62 C ATOM 82 CG PRO A 5 -12.228 12.129 2.453 1.00 0.73 C ATOM 83 CD PRO A 5 -13.025 12.348 1.160 1.00 0.58 C ATOM 0 HA PRO A 5 -11.620 14.983 2.007 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.186 12.294 1.817 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -10.562 13.213 3.261 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -12.025 11.070 2.610 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -12.789 12.478 3.320 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -12.911 11.508 0.474 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -14.091 12.452 1.362 1.00 0.58 H new ATOM 91 N PRO A 6 -9.376 15.509 1.020 1.00 0.55 N ATOM 92 CA PRO A 6 -8.190 16.004 0.262 1.00 0.57 C ATOM 93 C PRO A 6 -7.056 14.972 0.241 1.00 0.51 C ATOM 94 O PRO A 6 -6.107 15.096 -0.507 1.00 0.70 O ATOM 95 CB PRO A 6 -7.770 17.269 1.024 1.00 0.67 C ATOM 96 CG PRO A 6 -8.259 17.050 2.419 1.00 0.84 C ATOM 97 CD PRO A 6 -9.546 16.234 2.292 1.00 0.68 C ATOM 0 HA PRO A 6 -8.421 16.195 -0.786 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -6.689 17.405 1.000 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.214 18.162 0.584 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.517 16.517 3.013 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.447 18.000 2.920 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.670 15.548 3.130 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.427 16.876 2.272 1.00 0.68 H new ATOM 105 N TYR A 7 -7.147 13.956 1.056 1.00 0.42 N ATOM 106 CA TYR A 7 -6.074 12.926 1.071 1.00 0.36 C ATOM 107 C TYR A 7 -5.987 12.291 -0.316 1.00 0.34 C ATOM 108 O TYR A 7 -6.987 11.935 -0.906 1.00 0.36 O ATOM 109 CB TYR A 7 -6.418 11.834 2.087 1.00 0.34 C ATOM 110 CG TYR A 7 -6.671 12.451 3.444 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.641 13.123 4.112 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.938 12.350 4.035 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.877 13.692 5.369 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.174 12.918 5.289 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.143 13.590 5.958 1.00 0.47 C ATOM 116 OH TYR A 7 -7.375 14.149 7.199 1.00 0.54 O ATOM 0 H TYR A 7 -7.915 13.797 1.708 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.126 13.391 1.342 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.300 11.285 1.758 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.601 11.116 2.152 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.664 13.203 3.658 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.733 11.832 3.520 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.082 14.210 5.885 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.151 12.839 5.743 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.305 13.988 7.461 1.00 0.54 H new ATOM 126 N SER A 8 -4.804 12.129 -0.837 1.00 0.35 N ATOM 127 CA SER A 8 -4.674 11.497 -2.178 1.00 0.38 C ATOM 128 C SER A 8 -5.025 10.016 -2.043 1.00 0.32 C ATOM 129 O SER A 8 -5.024 9.472 -0.956 1.00 0.30 O ATOM 130 CB SER A 8 -3.237 11.642 -2.679 1.00 0.46 C ATOM 131 OG SER A 8 -2.400 10.735 -1.974 1.00 1.39 O ATOM 0 H SER A 8 -3.927 12.405 -0.396 1.00 0.35 H new ATOM 0 HA SER A 8 -5.344 11.980 -2.889 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.191 11.441 -3.749 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.890 12.665 -2.532 1.00 0.46 H new ATOM 0 HG SER A 8 -1.478 10.824 -2.294 1.00 1.39 H new ATOM 137 N TYR A 9 -5.322 9.351 -3.124 1.00 0.34 N ATOM 138 CA TYR A 9 -5.664 7.905 -3.015 1.00 0.34 C ATOM 139 C TYR A 9 -4.479 7.184 -2.376 1.00 0.35 C ATOM 140 O TYR A 9 -4.641 6.310 -1.549 1.00 0.36 O ATOM 141 CB TYR A 9 -5.926 7.325 -4.406 1.00 0.39 C ATOM 142 CG TYR A 9 -7.176 7.941 -4.986 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.430 7.382 -4.712 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.079 9.070 -5.809 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.585 7.952 -5.258 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.235 9.641 -6.354 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.488 9.082 -6.079 1.00 0.44 C ATOM 148 OH TYR A 9 -10.627 9.644 -6.617 1.00 0.50 O ATOM 0 H TYR A 9 -5.343 9.739 -4.067 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.561 7.777 -2.409 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.075 7.521 -5.059 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -6.037 6.242 -4.344 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.506 6.510 -4.079 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.112 9.500 -6.023 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.552 7.520 -5.046 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.160 10.513 -6.987 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.382 10.422 -7.161 1.00 0.50 H new ATOM 158 N ILE A 10 -3.287 7.553 -2.749 1.00 0.38 N ATOM 159 CA ILE A 10 -2.085 6.901 -2.162 1.00 0.42 C ATOM 160 C ILE A 10 -2.065 7.151 -0.652 1.00 0.38 C ATOM 161 O ILE A 10 -1.809 6.261 0.133 1.00 0.39 O ATOM 162 CB ILE A 10 -0.830 7.504 -2.797 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.958 7.496 -4.327 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.396 6.686 -2.389 1.00 0.51 C ATOM 165 CD1 ILE A 10 -1.384 6.111 -4.821 1.00 0.96 C ATOM 0 H ILE A 10 -3.093 8.280 -3.437 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.112 5.828 -2.353 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.718 8.531 -2.451 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.689 8.241 -4.641 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -0.006 7.773 -4.779 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.288 7.117 -2.842 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.498 6.699 -1.304 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.277 5.657 -2.730 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -1.470 6.123 -5.908 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.638 5.374 -4.524 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -2.347 5.849 -4.384 1.00 0.96 H new ATOM 177 N ALA A 11 -2.333 8.361 -0.239 1.00 0.36 N ATOM 178 CA ALA A 11 -2.328 8.673 1.219 1.00 0.36 C ATOM 179 C ALA A 11 -3.372 7.817 1.936 1.00 0.32 C ATOM 180 O ALA A 11 -3.106 7.235 2.969 1.00 0.32 O ATOM 181 CB ALA A 11 -2.652 10.155 1.427 1.00 0.38 C ATOM 0 H ALA A 11 -2.555 9.147 -0.849 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.342 8.455 1.629 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.648 10.382 2.493 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.903 10.765 0.923 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.636 10.374 1.013 1.00 0.38 H new ATOM 187 N LEU A 12 -4.559 7.729 1.400 1.00 0.32 N ATOM 188 CA LEU A 12 -5.608 6.905 2.061 1.00 0.31 C ATOM 189 C LEU A 12 -5.112 5.461 2.146 1.00 0.30 C ATOM 190 O LEU A 12 -5.299 4.784 3.138 1.00 0.32 O ATOM 191 CB LEU A 12 -6.898 6.960 1.235 1.00 0.33 C ATOM 192 CG LEU A 12 -7.503 8.372 1.280 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.638 8.461 0.255 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.055 8.680 2.682 1.00 0.36 C ATOM 0 H LEU A 12 -4.846 8.190 0.537 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.810 7.288 3.061 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.689 6.680 0.203 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.616 6.237 1.622 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.726 9.099 1.045 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.073 9.460 0.280 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.245 8.261 -0.742 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.405 7.725 0.496 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.479 9.684 2.694 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.830 7.956 2.935 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.248 8.618 3.412 1.00 0.36 H new ATOM 206 N ILE A 13 -4.466 4.988 1.115 1.00 0.31 N ATOM 207 CA ILE A 13 -3.940 3.595 1.133 1.00 0.32 C ATOM 208 C ILE A 13 -2.775 3.512 2.123 1.00 0.29 C ATOM 209 O ILE A 13 -2.626 2.550 2.849 1.00 0.30 O ATOM 210 CB ILE A 13 -3.435 3.234 -0.265 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.615 3.216 -1.245 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.780 1.851 -0.229 1.00 0.40 C ATOM 213 CD1 ILE A 13 -4.108 3.174 -2.693 1.00 0.49 C ATOM 0 H ILE A 13 -4.280 5.509 0.258 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.729 2.905 1.432 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.704 3.974 -0.590 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.246 2.349 -1.049 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.234 4.101 -1.095 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.420 1.593 -1.225 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.942 1.863 0.468 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.511 1.111 0.096 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.958 3.162 -3.376 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.497 4.055 -2.890 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.509 2.276 -2.843 1.00 0.49 H new ATOM 225 N THR A 14 -1.946 4.520 2.147 1.00 0.29 N ATOM 226 CA THR A 14 -0.781 4.516 3.076 1.00 0.31 C ATOM 227 C THR A 14 -1.268 4.515 4.527 1.00 0.32 C ATOM 228 O THR A 14 -0.711 3.852 5.379 1.00 0.34 O ATOM 229 CB THR A 14 0.072 5.763 2.833 1.00 0.35 C ATOM 230 OG1 THR A 14 0.537 5.762 1.491 1.00 0.37 O ATOM 231 CG2 THR A 14 1.264 5.760 3.793 1.00 0.39 C ATOM 0 H THR A 14 -2.026 5.350 1.560 1.00 0.29 H new ATOM 0 HA THR A 14 -0.186 3.621 2.894 1.00 0.31 H new ATOM 0 HB THR A 14 -0.528 6.656 3.007 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.214 5.930 0.884 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.872 6.648 3.621 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.903 5.762 4.821 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.867 4.868 3.622 1.00 0.39 H new ATOM 239 N MET A 15 -2.299 5.260 4.812 1.00 0.33 N ATOM 240 CA MET A 15 -2.827 5.319 6.205 1.00 0.37 C ATOM 241 C MET A 15 -3.405 3.958 6.590 1.00 0.34 C ATOM 242 O MET A 15 -3.272 3.507 7.709 1.00 0.36 O ATOM 243 CB MET A 15 -3.921 6.386 6.288 1.00 0.44 C ATOM 244 CG MET A 15 -3.284 7.769 6.150 1.00 0.49 C ATOM 245 SD MET A 15 -4.575 9.040 6.146 1.00 0.67 S ATOM 246 CE MET A 15 -3.524 10.447 5.694 1.00 1.14 C ATOM 0 H MET A 15 -2.802 5.835 4.136 1.00 0.33 H new ATOM 0 HA MET A 15 -2.019 5.574 6.891 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.658 6.231 5.500 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.450 6.309 7.238 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.591 7.944 6.973 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.705 7.823 5.228 1.00 0.49 H new ATOM 0 HE1 MET A 15 -3.858 11.337 6.227 1.00 1.14 H new ATOM 0 HE2 MET A 15 -2.490 10.230 5.963 1.00 1.14 H new ATOM 0 HE3 MET A 15 -3.591 10.621 4.620 1.00 1.14 H new ATOM 256 N ALA A 16 -4.055 3.307 5.668 1.00 0.32 N ATOM 257 CA ALA A 16 -4.656 1.981 5.975 1.00 0.31 C ATOM 258 C ALA A 16 -3.562 1.002 6.406 1.00 0.29 C ATOM 259 O ALA A 16 -3.738 0.232 7.330 1.00 0.31 O ATOM 260 CB ALA A 16 -5.345 1.448 4.718 1.00 0.31 C ATOM 0 H ALA A 16 -4.196 3.637 4.713 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.380 2.086 6.783 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.789 0.476 4.931 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.125 2.143 4.408 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.612 1.344 3.918 1.00 0.31 H new ATOM 266 N ILE A 17 -2.436 1.019 5.746 1.00 0.27 N ATOM 267 CA ILE A 17 -1.342 0.080 6.125 1.00 0.28 C ATOM 268 C ILE A 17 -0.852 0.424 7.530 1.00 0.30 C ATOM 269 O ILE A 17 -0.786 -0.416 8.405 1.00 0.33 O ATOM 270 CB ILE A 17 -0.175 0.249 5.156 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.650 -0.059 3.740 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.941 -0.724 5.539 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.431 0.345 2.737 1.00 0.32 C ATOM 0 H ILE A 17 -2.227 1.640 4.964 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.715 -0.944 6.092 1.00 0.28 H new ATOM 0 HB ILE A 17 0.198 1.272 5.203 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -0.871 -1.122 3.643 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.574 0.479 3.530 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.778 -0.608 4.850 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.275 -0.513 6.555 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.567 -1.746 5.486 1.00 0.33 H new ATOM 0 HD11 ILE A 17 0.090 0.124 1.726 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.631 1.413 2.828 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.344 -0.213 2.942 1.00 0.32 H new ATOM 285 N GLN A 18 -0.506 1.661 7.741 1.00 0.32 N ATOM 286 CA GLN A 18 -0.012 2.085 9.082 1.00 0.36 C ATOM 287 C GLN A 18 -1.128 1.915 10.116 1.00 0.36 C ATOM 288 O GLN A 18 -0.893 1.508 11.237 1.00 0.38 O ATOM 289 CB GLN A 18 0.404 3.559 9.044 1.00 0.44 C ATOM 290 CG GLN A 18 1.675 3.720 8.209 1.00 0.51 C ATOM 291 CD GLN A 18 2.092 5.192 8.193 1.00 1.09 C ATOM 292 OE1 GLN A 18 2.967 5.594 8.935 1.00 1.76 O ATOM 293 NE2 GLN A 18 1.499 6.020 7.377 1.00 1.82 N ATOM 0 H GLN A 18 -0.544 2.401 7.040 1.00 0.32 H new ATOM 0 HA GLN A 18 0.846 1.469 9.353 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.399 4.162 8.620 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.575 3.924 10.057 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.476 3.109 8.625 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.501 3.369 7.192 1.00 0.51 H new ATOM 0 HE21 GLN A 18 0.765 5.684 6.754 1.00 1.82 H new ATOM 0 HE22 GLN A 18 1.770 7.003 7.362 1.00 1.82 H new ATOM 302 N ASN A 19 -2.336 2.242 9.748 1.00 0.37 N ATOM 303 CA ASN A 19 -3.471 2.121 10.708 1.00 0.42 C ATOM 304 C ASN A 19 -3.775 0.646 10.974 1.00 0.43 C ATOM 305 O ASN A 19 -4.364 0.300 11.979 1.00 0.58 O ATOM 306 CB ASN A 19 -4.708 2.800 10.113 1.00 0.51 C ATOM 307 CG ASN A 19 -4.507 4.318 10.085 1.00 0.84 C ATOM 308 OD1 ASN A 19 -5.236 5.026 9.420 1.00 1.67 O ATOM 309 ND2 ASN A 19 -3.540 4.857 10.778 1.00 1.28 N ATOM 0 H ASN A 19 -2.587 2.589 8.822 1.00 0.37 H new ATOM 0 HA ASN A 19 -3.202 2.603 11.648 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -4.887 2.429 9.104 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.589 2.552 10.704 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -3.400 5.867 10.759 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -2.924 4.268 11.338 1.00 1.28 H new ATOM 316 N ALA A 20 -3.379 -0.229 10.093 1.00 0.39 N ATOM 317 CA ALA A 20 -3.652 -1.675 10.319 1.00 0.47 C ATOM 318 C ALA A 20 -2.621 -2.226 11.313 1.00 0.53 C ATOM 319 O ALA A 20 -1.488 -1.788 11.329 1.00 0.63 O ATOM 320 CB ALA A 20 -3.524 -2.428 8.993 1.00 0.49 C ATOM 0 H ALA A 20 -2.881 -0.007 9.231 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.659 -1.804 10.716 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.723 -3.487 9.155 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -4.243 -2.029 8.277 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.515 -2.305 8.601 1.00 0.49 H new ATOM 326 N PRO A 21 -2.989 -3.182 12.132 1.00 0.71 N ATOM 327 CA PRO A 21 -2.045 -3.779 13.120 1.00 0.87 C ATOM 328 C PRO A 21 -0.932 -4.541 12.398 1.00 0.80 C ATOM 329 O PRO A 21 0.239 -4.359 12.663 1.00 1.04 O ATOM 330 CB PRO A 21 -2.926 -4.720 13.955 1.00 1.10 C ATOM 331 CG PRO A 21 -4.095 -5.041 13.078 1.00 1.29 C ATOM 332 CD PRO A 21 -4.324 -3.803 12.208 1.00 0.94 C ATOM 0 HA PRO A 21 -1.543 -3.035 13.739 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -2.383 -5.623 14.235 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -3.247 -4.242 14.880 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -3.892 -5.918 12.463 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -4.979 -5.268 13.674 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -4.699 -4.071 11.220 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.055 -3.129 12.654 1.00 0.94 H new ATOM 340 N GLU A 22 -1.303 -5.369 11.457 1.00 0.72 N ATOM 341 CA GLU A 22 -0.296 -6.130 10.663 1.00 0.83 C ATOM 342 C GLU A 22 -0.171 -5.452 9.297 1.00 0.80 C ATOM 343 O GLU A 22 -1.145 -5.276 8.592 1.00 1.16 O ATOM 344 CB GLU A 22 -0.765 -7.576 10.494 1.00 0.98 C ATOM 345 CG GLU A 22 -0.647 -8.306 11.833 1.00 1.51 C ATOM 346 CD GLU A 22 -1.206 -9.723 11.694 1.00 2.01 C ATOM 347 OE1 GLU A 22 -2.418 -9.865 11.732 1.00 2.51 O ATOM 348 OE2 GLU A 22 -0.415 -10.640 11.549 1.00 2.63 O ATOM 0 H GLU A 22 -2.274 -5.552 11.202 1.00 0.72 H new ATOM 0 HA GLU A 22 0.670 -6.139 11.168 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -1.797 -7.597 10.145 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -0.163 -8.080 9.738 1.00 0.98 H new ATOM 0 HG2 GLU A 22 0.396 -8.345 12.147 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -1.193 -7.763 12.605 1.00 1.51 H new ATOM 355 N LYS A 23 1.011 -5.044 8.930 1.00 0.66 N ATOM 356 CA LYS A 23 1.184 -4.345 7.626 1.00 0.68 C ATOM 357 C LYS A 23 0.772 -5.262 6.471 1.00 0.56 C ATOM 358 O LYS A 23 0.347 -4.799 5.431 1.00 0.59 O ATOM 359 CB LYS A 23 2.642 -3.912 7.462 1.00 0.84 C ATOM 360 CG LYS A 23 2.960 -2.844 8.511 1.00 0.96 C ATOM 361 CD LYS A 23 4.414 -2.394 8.366 1.00 0.79 C ATOM 362 CE LYS A 23 4.734 -1.344 9.432 1.00 1.23 C ATOM 363 NZ LYS A 23 6.078 -0.761 9.165 1.00 2.02 N ATOM 0 H LYS A 23 1.864 -5.164 9.476 1.00 0.66 H new ATOM 0 HA LYS A 23 0.545 -3.462 7.610 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.306 -4.768 7.582 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.808 -3.518 6.459 1.00 0.84 H new ATOM 0 HG2 LYS A 23 2.292 -1.991 8.390 1.00 0.96 H new ATOM 0 HG3 LYS A 23 2.791 -3.242 9.512 1.00 0.96 H new ATOM 0 HD2 LYS A 23 5.082 -3.249 8.471 1.00 0.79 H new ATOM 0 HD3 LYS A 23 4.580 -1.980 7.372 1.00 0.79 H new ATOM 0 HE2 LYS A 23 3.977 -0.560 9.424 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.713 -1.798 10.423 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 6.297 -0.047 9.889 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 6.795 -1.514 9.193 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 6.082 -0.314 8.226 1.00 2.02 H new ATOM 377 N LYS A 24 0.885 -6.553 6.631 1.00 0.49 N ATOM 378 CA LYS A 24 0.486 -7.463 5.519 1.00 0.43 C ATOM 379 C LYS A 24 -1.039 -7.593 5.511 1.00 0.44 C ATOM 380 O LYS A 24 -1.601 -8.479 6.125 1.00 0.75 O ATOM 381 CB LYS A 24 1.118 -8.847 5.718 1.00 0.41 C ATOM 382 CG LYS A 24 2.642 -8.728 5.655 1.00 0.45 C ATOM 383 CD LYS A 24 3.272 -10.109 5.854 1.00 0.50 C ATOM 384 CE LYS A 24 4.797 -9.992 5.790 1.00 0.59 C ATOM 385 NZ LYS A 24 5.413 -11.314 6.095 1.00 1.55 N ATOM 0 H LYS A 24 1.232 -7.013 7.473 1.00 0.49 H new ATOM 0 HA LYS A 24 0.832 -7.052 4.570 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.815 -9.262 6.679 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.764 -9.534 4.949 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.945 -8.314 4.694 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.996 -8.041 6.424 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.969 -10.523 6.816 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.917 -10.796 5.085 1.00 0.50 H new ATOM 0 HE2 LYS A 24 5.105 -9.656 4.800 1.00 0.59 H new ATOM 0 HE3 LYS A 24 5.145 -9.244 6.503 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 6.449 -11.233 6.051 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 5.130 -11.617 7.049 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 5.091 -12.016 5.398 1.00 1.55 H new ATOM 399 N ILE A 25 -1.706 -6.708 4.814 1.00 0.35 N ATOM 400 CA ILE A 25 -3.201 -6.742 4.737 1.00 0.34 C ATOM 401 C ILE A 25 -3.621 -7.053 3.300 1.00 0.31 C ATOM 402 O ILE A 25 -2.917 -6.751 2.358 1.00 0.33 O ATOM 403 CB ILE A 25 -3.761 -5.375 5.141 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.285 -5.383 4.987 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.163 -4.293 4.241 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.872 -4.114 5.608 1.00 0.47 C ATOM 0 H ILE A 25 -1.272 -5.951 4.286 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.587 -7.508 5.409 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.501 -5.168 6.179 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.553 -5.441 3.932 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.705 -6.264 5.472 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.561 -3.320 4.528 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.078 -4.288 4.350 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.422 -4.499 3.203 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.956 -4.123 5.497 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.616 -4.075 6.667 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.462 -3.239 5.103 1.00 0.47 H new ATOM 418 N THR A 26 -4.760 -7.667 3.125 1.00 0.30 N ATOM 419 CA THR A 26 -5.218 -8.009 1.749 1.00 0.31 C ATOM 420 C THR A 26 -5.830 -6.780 1.075 1.00 0.28 C ATOM 421 O THR A 26 -6.238 -5.837 1.722 1.00 0.27 O ATOM 422 CB THR A 26 -6.278 -9.112 1.823 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.414 -8.623 2.522 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.719 -10.334 2.557 1.00 0.81 C ATOM 0 H THR A 26 -5.392 -7.946 3.875 1.00 0.30 H new ATOM 0 HA THR A 26 -4.361 -8.351 1.169 1.00 0.31 H new ATOM 0 HB THR A 26 -6.560 -9.404 0.811 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.096 -9.325 2.570 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.482 -11.111 2.603 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.848 -10.712 2.023 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.429 -10.050 3.569 1.00 0.81 H new ATOM 432 N LEU A 27 -5.896 -6.796 -0.228 1.00 0.31 N ATOM 433 CA LEU A 27 -6.481 -5.647 -0.973 1.00 0.34 C ATOM 434 C LEU A 27 -7.942 -5.468 -0.540 1.00 0.30 C ATOM 435 O LEU A 27 -8.414 -4.367 -0.331 1.00 0.31 O ATOM 436 CB LEU A 27 -6.378 -5.956 -2.474 1.00 0.44 C ATOM 437 CG LEU A 27 -6.958 -4.824 -3.339 1.00 0.47 C ATOM 438 CD1 LEU A 27 -6.346 -3.477 -2.935 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.637 -5.110 -4.814 1.00 0.68 C ATOM 0 H LEU A 27 -5.566 -7.564 -0.813 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.948 -4.720 -0.762 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.333 -6.116 -2.740 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -6.907 -6.884 -2.690 1.00 0.44 H new ATOM 0 HG LEU A 27 -8.037 -4.776 -3.192 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.766 -2.686 -3.556 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.571 -3.275 -1.888 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.265 -3.512 -3.074 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.044 -4.313 -5.436 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.556 -5.159 -4.948 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.082 -6.061 -5.106 1.00 0.68 H new ATOM 451 N ASN A 28 -8.651 -6.552 -0.397 1.00 0.30 N ATOM 452 CA ASN A 28 -10.080 -6.478 0.028 1.00 0.31 C ATOM 453 C ASN A 28 -10.189 -5.811 1.404 1.00 0.29 C ATOM 454 O ASN A 28 -11.087 -5.031 1.663 1.00 0.32 O ATOM 455 CB ASN A 28 -10.642 -7.898 0.120 1.00 0.36 C ATOM 456 CG ASN A 28 -10.776 -8.493 -1.283 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.172 -7.816 -2.210 1.00 1.07 O ATOM 458 ND2 ASN A 28 -10.456 -9.745 -1.477 1.00 1.25 N ATOM 0 H ASN A 28 -8.300 -7.496 -0.558 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.641 -5.891 -0.700 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -9.985 -8.520 0.728 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.614 -7.883 0.613 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -10.539 -10.154 -2.408 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -10.123 -10.313 -0.698 1.00 1.25 H new ATOM 465 N GLY A 29 -9.286 -6.123 2.293 1.00 0.28 N ATOM 466 CA GLY A 29 -9.338 -5.529 3.661 1.00 0.29 C ATOM 467 C GLY A 29 -9.199 -4.005 3.595 1.00 0.28 C ATOM 468 O GLY A 29 -9.849 -3.284 4.325 1.00 0.29 O ATOM 0 H GLY A 29 -8.511 -6.766 2.131 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.280 -5.793 4.142 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.539 -5.946 4.274 1.00 0.29 H new ATOM 472 N ILE A 30 -8.344 -3.508 2.745 1.00 0.26 N ATOM 473 CA ILE A 30 -8.153 -2.031 2.657 1.00 0.27 C ATOM 474 C ILE A 30 -9.460 -1.336 2.261 1.00 0.27 C ATOM 475 O ILE A 30 -9.776 -0.275 2.764 1.00 0.29 O ATOM 476 CB ILE A 30 -7.060 -1.708 1.635 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.724 -2.266 2.133 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.945 -0.190 1.475 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.675 -2.173 1.022 1.00 0.35 C ATOM 0 H ILE A 30 -7.769 -4.059 2.108 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.851 -1.663 3.638 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.313 -2.158 0.675 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.390 -1.708 3.008 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.846 -3.304 2.444 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.167 0.041 0.747 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.897 0.213 1.129 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.689 0.259 2.435 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.727 -2.572 1.383 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -5.007 -2.751 0.159 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.544 -1.131 0.732 1.00 0.35 H new ATOM 491 N TYR A 31 -10.218 -1.898 1.357 1.00 0.28 N ATOM 492 CA TYR A 31 -11.484 -1.222 0.944 1.00 0.30 C ATOM 493 C TYR A 31 -12.409 -1.054 2.148 1.00 0.30 C ATOM 494 O TYR A 31 -13.014 -0.018 2.338 1.00 0.32 O ATOM 495 CB TYR A 31 -12.215 -2.075 -0.099 1.00 0.36 C ATOM 496 CG TYR A 31 -11.606 -1.880 -1.468 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.606 -0.613 -2.062 1.00 1.36 C ATOM 498 CD2 TYR A 31 -11.052 -2.968 -2.150 1.00 1.20 C ATOM 499 CE1 TYR A 31 -11.054 -0.436 -3.329 1.00 1.40 C ATOM 500 CE2 TYR A 31 -10.498 -2.790 -3.418 1.00 1.23 C ATOM 501 CZ TYR A 31 -10.501 -1.524 -4.005 1.00 0.58 C ATOM 502 OH TYR A 31 -9.964 -1.347 -5.253 1.00 0.72 O ATOM 0 H TYR A 31 -10.020 -2.784 0.892 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.230 -0.247 0.527 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.162 -3.127 0.182 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.271 -1.804 -0.123 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.034 0.229 -1.538 1.00 1.36 H new ATOM 0 HD2 TYR A 31 -11.053 -3.947 -1.695 1.00 1.20 H new ATOM 0 HE1 TYR A 31 -11.054 0.542 -3.787 1.00 1.40 H new ATOM 0 HE2 TYR A 31 -10.068 -3.630 -3.944 1.00 1.23 H new ATOM 0 HH TYR A 31 -10.433 -0.619 -5.711 1.00 0.72 H new ATOM 512 N GLN A 32 -12.536 -2.066 2.953 1.00 0.31 N ATOM 513 CA GLN A 32 -13.437 -1.956 4.130 1.00 0.35 C ATOM 514 C GLN A 32 -12.954 -0.813 5.025 1.00 0.33 C ATOM 515 O GLN A 32 -13.734 -0.057 5.569 1.00 0.34 O ATOM 516 CB GLN A 32 -13.412 -3.277 4.900 1.00 0.41 C ATOM 517 CG GLN A 32 -14.120 -4.356 4.076 1.00 1.25 C ATOM 518 CD GLN A 32 -13.918 -5.721 4.735 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.024 -5.897 5.538 1.00 2.35 O ATOM 520 NE2 GLN A 32 -14.717 -6.706 4.422 1.00 2.51 N ATOM 0 H GLN A 32 -12.058 -2.961 2.849 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.457 -1.749 3.807 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.383 -3.574 5.102 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -13.905 -3.158 5.865 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -15.184 -4.131 4.001 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -13.725 -4.369 3.060 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.468 -6.559 3.748 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -14.590 -7.622 4.852 1.00 2.51 H new ATOM 529 N PHE A 33 -11.667 -0.693 5.178 1.00 0.33 N ATOM 530 CA PHE A 33 -11.094 0.384 6.034 1.00 0.35 C ATOM 531 C PHE A 33 -11.501 1.772 5.514 1.00 0.32 C ATOM 532 O PHE A 33 -11.952 2.615 6.264 1.00 0.34 O ATOM 533 CB PHE A 33 -9.571 0.250 6.003 1.00 0.40 C ATOM 534 CG PHE A 33 -8.933 1.254 6.930 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.583 2.524 6.457 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.671 0.905 8.260 1.00 1.23 C ATOM 537 CE1 PHE A 33 -7.972 3.445 7.316 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.063 1.826 9.119 1.00 1.27 C ATOM 539 CZ PHE A 33 -7.713 3.095 8.647 1.00 0.63 C ATOM 0 H PHE A 33 -10.977 -1.303 4.741 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.472 0.283 7.051 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.283 -0.759 6.297 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.207 0.402 4.987 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.784 2.793 5.431 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.939 -0.076 8.623 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -7.700 4.425 6.952 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -7.864 1.557 10.146 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.242 3.806 9.310 1.00 0.63 H new ATOM 549 N ILE A 34 -11.320 2.029 4.243 1.00 0.28 N ATOM 550 CA ILE A 34 -11.668 3.373 3.685 1.00 0.27 C ATOM 551 C ILE A 34 -13.165 3.666 3.820 1.00 0.26 C ATOM 552 O ILE A 34 -13.555 4.735 4.249 1.00 0.27 O ATOM 553 CB ILE A 34 -11.269 3.431 2.207 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.741 3.393 2.105 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.788 4.729 1.577 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.328 3.199 0.645 1.00 0.59 C ATOM 0 H ILE A 34 -10.945 1.365 3.566 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.122 4.127 4.252 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.701 2.581 1.679 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.318 4.319 2.493 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.346 2.581 2.716 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.501 4.764 0.526 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -12.874 4.763 1.657 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.358 5.584 2.099 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.241 3.172 0.575 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.739 2.261 0.272 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.710 4.026 0.046 1.00 0.59 H new ATOM 568 N MET A 35 -14.013 2.751 3.439 1.00 0.27 N ATOM 569 CA MET A 35 -15.474 3.027 3.536 1.00 0.29 C ATOM 570 C MET A 35 -15.857 3.307 4.992 1.00 0.29 C ATOM 571 O MET A 35 -16.660 4.174 5.272 1.00 0.31 O ATOM 572 CB MET A 35 -16.270 1.827 3.015 1.00 0.37 C ATOM 573 CG MET A 35 -16.106 1.722 1.496 1.00 0.44 C ATOM 574 SD MET A 35 -17.096 0.335 0.878 1.00 0.69 S ATOM 575 CE MET A 35 -15.743 -0.834 0.591 1.00 0.47 C ATOM 0 H MET A 35 -13.762 1.834 3.069 1.00 0.27 H new ATOM 0 HA MET A 35 -15.708 3.902 2.929 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.921 0.911 3.493 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.324 1.938 3.270 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.423 2.650 1.020 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.056 1.576 1.242 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.148 -1.775 0.219 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.054 -0.420 -0.145 1.00 0.47 H new ATOM 0 HE3 MET A 35 -15.211 -1.012 1.526 1.00 0.47 H new ATOM 585 N ASP A 36 -15.299 2.581 5.921 1.00 0.31 N ATOM 586 CA ASP A 36 -15.647 2.813 7.352 1.00 0.37 C ATOM 587 C ASP A 36 -15.157 4.190 7.813 1.00 0.38 C ATOM 588 O ASP A 36 -15.879 4.927 8.455 1.00 0.45 O ATOM 589 CB ASP A 36 -14.985 1.731 8.209 1.00 0.43 C ATOM 590 CG ASP A 36 -15.662 0.385 7.953 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.840 0.387 7.632 1.00 1.12 O ATOM 592 OD2 ASP A 36 -14.992 -0.627 8.081 1.00 1.17 O ATOM 0 H ASP A 36 -14.619 1.839 5.753 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.731 2.773 7.461 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -13.923 1.666 7.973 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.061 1.992 9.264 1.00 0.43 H new ATOM 597 N ARG A 37 -13.933 4.537 7.514 1.00 0.39 N ATOM 598 CA ARG A 37 -13.404 5.859 7.961 1.00 0.46 C ATOM 599 C ARG A 37 -14.074 7.006 7.199 1.00 0.45 C ATOM 600 O ARG A 37 -14.376 8.036 7.769 1.00 0.59 O ATOM 601 CB ARG A 37 -11.890 5.918 7.750 1.00 0.53 C ATOM 602 CG ARG A 37 -11.368 7.273 8.239 1.00 1.16 C ATOM 603 CD ARG A 37 -9.842 7.236 8.352 1.00 1.28 C ATOM 604 NE ARG A 37 -9.461 6.579 9.633 1.00 1.77 N ATOM 605 CZ ARG A 37 -8.245 6.140 9.806 1.00 2.16 C ATOM 606 NH1 ARG A 37 -7.370 6.241 8.843 1.00 2.31 N ATOM 607 NH2 ARG A 37 -7.908 5.585 10.939 1.00 3.00 N ATOM 0 H ARG A 37 -13.278 3.964 6.981 1.00 0.39 H new ATOM 0 HA ARG A 37 -13.628 5.970 9.022 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.403 5.109 8.294 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -11.652 5.782 6.695 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -11.671 8.060 7.548 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -11.807 7.513 9.207 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -9.416 6.691 7.509 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -9.438 8.248 8.314 1.00 1.28 H new ATOM 0 HE ARG A 37 -10.152 6.472 10.376 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -7.637 6.664 7.954 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -6.419 5.897 8.980 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -8.595 5.495 11.687 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -6.957 5.241 11.076 1.00 3.00 H new ATOM 621 N PHE A 38 -14.300 6.847 5.917 1.00 0.40 N ATOM 622 CA PHE A 38 -14.940 7.938 5.112 1.00 0.41 C ATOM 623 C PHE A 38 -16.170 7.390 4.377 1.00 0.39 C ATOM 624 O PHE A 38 -16.127 7.137 3.190 1.00 0.51 O ATOM 625 CB PHE A 38 -13.934 8.461 4.080 1.00 0.43 C ATOM 626 CG PHE A 38 -12.648 8.869 4.765 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.575 10.086 5.453 1.00 1.21 C ATOM 628 CD2 PHE A 38 -11.525 8.033 4.702 1.00 1.47 C ATOM 629 CE1 PHE A 38 -11.381 10.466 6.080 1.00 1.27 C ATOM 630 CE2 PHE A 38 -10.332 8.414 5.329 1.00 1.54 C ATOM 631 CZ PHE A 38 -10.260 9.630 6.018 1.00 0.82 C ATOM 0 H PHE A 38 -14.068 6.005 5.390 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.245 8.744 5.779 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.730 7.690 3.337 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.357 9.313 3.548 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.439 10.732 5.500 1.00 1.21 H new ATOM 0 HD2 PHE A 38 -11.580 7.095 4.170 1.00 1.47 H new ATOM 0 HE1 PHE A 38 -11.326 11.405 6.611 1.00 1.27 H new ATOM 0 HE2 PHE A 38 -9.467 7.769 5.281 1.00 1.54 H new ATOM 0 HZ PHE A 38 -9.340 9.923 6.502 1.00 0.82 H new ATOM 641 N PRO A 39 -17.263 7.215 5.079 1.00 0.53 N ATOM 642 CA PRO A 39 -18.535 6.697 4.489 1.00 0.55 C ATOM 643 C PRO A 39 -18.893 7.374 3.160 1.00 0.47 C ATOM 644 O PRO A 39 -19.814 6.975 2.476 1.00 0.47 O ATOM 645 CB PRO A 39 -19.577 7.017 5.565 1.00 0.70 C ATOM 646 CG PRO A 39 -18.815 6.970 6.848 1.00 1.21 C ATOM 647 CD PRO A 39 -17.410 7.489 6.521 1.00 0.88 C ATOM 0 HA PRO A 39 -18.468 5.637 4.244 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.025 7.998 5.405 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.390 6.291 5.559 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.292 7.588 7.609 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -18.775 5.954 7.241 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.316 8.553 6.738 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -16.647 6.975 7.106 1.00 0.88 H new ATOM 655 N PHE A 40 -18.164 8.388 2.786 1.00 0.44 N ATOM 656 CA PHE A 40 -18.444 9.090 1.502 1.00 0.42 C ATOM 657 C PHE A 40 -18.344 8.085 0.349 1.00 0.34 C ATOM 658 O PHE A 40 -19.114 8.120 -0.591 1.00 0.36 O ATOM 659 CB PHE A 40 -17.409 10.214 1.334 1.00 0.48 C ATOM 660 CG PHE A 40 -17.320 10.663 -0.109 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.350 11.428 -0.669 1.00 2.20 C ATOM 662 CD2 PHE A 40 -16.205 10.315 -0.883 1.00 2.34 C ATOM 663 CE1 PHE A 40 -18.266 11.845 -2.003 1.00 3.29 C ATOM 664 CE2 PHE A 40 -16.121 10.733 -2.216 1.00 3.41 C ATOM 665 CZ PHE A 40 -17.151 11.498 -2.776 1.00 3.74 C ATOM 0 H PHE A 40 -17.380 8.764 3.319 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.446 9.518 1.502 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.681 11.060 1.965 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.432 9.866 1.671 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.209 11.696 -0.072 1.00 2.20 H new ATOM 0 HD2 PHE A 40 -15.411 9.724 -0.451 1.00 2.34 H new ATOM 0 HE1 PHE A 40 -19.061 12.434 -2.436 1.00 3.29 H new ATOM 0 HE2 PHE A 40 -15.261 10.465 -2.813 1.00 3.41 H new ATOM 0 HZ PHE A 40 -17.086 11.821 -3.805 1.00 3.74 H new ATOM 675 N TYR A 41 -17.384 7.206 0.405 1.00 0.27 N ATOM 676 CA TYR A 41 -17.202 6.211 -0.689 1.00 0.25 C ATOM 677 C TYR A 41 -18.332 5.175 -0.700 1.00 0.29 C ATOM 678 O TYR A 41 -18.616 4.579 -1.720 1.00 0.35 O ATOM 679 CB TYR A 41 -15.851 5.527 -0.513 1.00 0.23 C ATOM 680 CG TYR A 41 -14.781 6.561 -0.747 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.311 6.800 -2.042 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.284 7.304 0.326 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.336 7.775 -2.264 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.310 8.283 0.108 1.00 1.05 C ATOM 685 CZ TYR A 41 -12.833 8.519 -1.188 1.00 0.34 C ATOM 686 OH TYR A 41 -11.872 9.485 -1.405 1.00 0.40 O ATOM 0 H TYR A 41 -16.711 7.133 1.168 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.233 6.730 -1.647 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -15.763 5.105 0.488 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.746 4.701 -1.217 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -14.702 6.230 -2.872 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.652 7.122 1.325 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -12.970 7.955 -3.264 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -12.926 8.857 0.938 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.634 9.907 -0.553 1.00 0.40 H new ATOM 696 N ARG A 42 -18.992 4.953 0.404 1.00 0.33 N ATOM 697 CA ARG A 42 -20.101 3.954 0.397 1.00 0.42 C ATOM 698 C ARG A 42 -21.158 4.402 -0.610 1.00 0.44 C ATOM 699 O ARG A 42 -21.723 3.608 -1.336 1.00 0.53 O ATOM 700 CB ARG A 42 -20.741 3.885 1.786 1.00 0.50 C ATOM 701 CG ARG A 42 -19.788 3.206 2.770 1.00 0.58 C ATOM 702 CD ARG A 42 -20.449 3.154 4.149 1.00 0.63 C ATOM 703 NE ARG A 42 -19.542 2.456 5.114 1.00 1.26 N ATOM 704 CZ ARG A 42 -19.190 1.212 4.940 1.00 1.66 C ATOM 705 NH1 ARG A 42 -19.756 0.491 4.012 1.00 1.95 N ATOM 706 NH2 ARG A 42 -18.302 0.673 5.729 1.00 2.51 N ATOM 0 H ARG A 42 -18.816 5.411 1.298 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.709 2.974 0.127 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -20.981 4.889 2.135 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.679 3.332 1.736 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.549 2.199 2.429 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.848 3.755 2.824 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -20.662 4.164 4.500 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.403 2.630 4.087 1.00 0.63 H new ATOM 0 HE ARG A 42 -19.191 2.964 5.926 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.478 0.899 3.418 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -19.477 -0.481 3.880 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -17.885 1.224 6.479 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -18.025 -0.299 5.596 1.00 2.51 H new ATOM 720 N GLU A 43 -21.425 5.676 -0.656 1.00 0.42 N ATOM 721 CA GLU A 43 -22.440 6.198 -1.609 1.00 0.48 C ATOM 722 C GLU A 43 -21.945 6.030 -3.043 1.00 0.45 C ATOM 723 O GLU A 43 -22.706 5.758 -3.950 1.00 0.66 O ATOM 724 CB GLU A 43 -22.689 7.678 -1.317 1.00 0.62 C ATOM 725 CG GLU A 43 -23.831 8.193 -2.194 1.00 1.27 C ATOM 726 CD GLU A 43 -24.074 9.672 -1.889 1.00 1.75 C ATOM 727 OE1 GLU A 43 -23.290 10.238 -1.145 1.00 2.34 O ATOM 728 OE2 GLU A 43 -25.036 10.214 -2.408 1.00 2.28 O ATOM 0 H GLU A 43 -20.980 6.382 -0.070 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.369 5.640 -1.491 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.937 7.814 -0.264 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -21.783 8.253 -1.508 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -23.583 8.063 -3.247 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -24.737 7.617 -2.006 1.00 1.27 H new ATOM 735 N ASN A 44 -20.673 6.215 -3.245 1.00 0.44 N ATOM 736 CA ASN A 44 -20.083 6.102 -4.617 1.00 0.43 C ATOM 737 C ASN A 44 -19.231 4.834 -4.746 1.00 0.37 C ATOM 738 O ASN A 44 -18.243 4.662 -4.063 1.00 0.47 O ATOM 739 CB ASN A 44 -19.196 7.321 -4.876 1.00 0.54 C ATOM 740 CG ASN A 44 -20.060 8.582 -4.912 1.00 1.30 C ATOM 741 OD1 ASN A 44 -19.853 9.496 -4.139 1.00 2.01 O ATOM 742 ND2 ASN A 44 -21.028 8.670 -5.782 1.00 1.97 N ATOM 0 H ASN A 44 -20.003 6.443 -2.511 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.895 6.052 -5.342 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -18.441 7.407 -4.095 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.665 7.204 -5.821 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -21.611 9.506 -5.813 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -21.202 7.903 -6.431 1.00 1.97 H new ATOM 749 N LYS A 45 -19.604 3.960 -5.646 1.00 0.49 N ATOM 750 CA LYS A 45 -18.835 2.701 -5.882 1.00 0.61 C ATOM 751 C LYS A 45 -18.345 2.710 -7.331 1.00 0.71 C ATOM 752 O LYS A 45 -17.984 1.693 -7.888 1.00 0.97 O ATOM 753 CB LYS A 45 -19.771 1.509 -5.698 1.00 0.76 C ATOM 754 CG LYS A 45 -20.205 1.395 -4.235 1.00 0.74 C ATOM 755 CD LYS A 45 -21.141 0.194 -4.082 1.00 0.93 C ATOM 756 CE LYS A 45 -21.583 0.067 -2.624 1.00 1.11 C ATOM 757 NZ LYS A 45 -22.427 1.240 -2.262 1.00 1.68 N ATOM 0 H LYS A 45 -20.427 4.069 -6.239 1.00 0.49 H new ATOM 0 HA LYS A 45 -17.997 2.631 -5.188 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.647 1.624 -6.336 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.269 0.593 -6.008 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.333 1.276 -3.592 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -20.711 2.308 -3.921 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.012 0.315 -4.727 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -20.634 -0.717 -4.399 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.143 -0.857 -2.481 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -20.712 0.016 -1.971 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -23.105 0.965 -1.523 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -21.821 2.008 -1.908 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -22.945 1.567 -3.102 1.00 1.68 H new ATOM 771 N GLN A 46 -18.396 3.851 -7.958 1.00 0.95 N ATOM 772 CA GLN A 46 -18.010 3.951 -9.395 1.00 1.12 C ATOM 773 C GLN A 46 -16.564 3.508 -9.655 1.00 0.71 C ATOM 774 O GLN A 46 -16.215 2.358 -9.475 1.00 1.16 O ATOM 775 CB GLN A 46 -18.199 5.396 -9.862 1.00 1.90 C ATOM 776 CG GLN A 46 -19.693 5.727 -9.887 1.00 2.64 C ATOM 777 CD GLN A 46 -19.882 7.220 -10.161 1.00 3.38 C ATOM 778 OE1 GLN A 46 -18.989 8.010 -9.926 1.00 3.81 O ATOM 779 NE2 GLN A 46 -21.014 7.642 -10.653 1.00 3.98 N ATOM 0 H GLN A 46 -18.692 4.729 -7.532 1.00 0.95 H new ATOM 0 HA GLN A 46 -18.654 3.274 -9.957 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -17.675 6.078 -9.193 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -17.768 5.529 -10.854 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -20.193 5.139 -10.657 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -20.151 5.461 -8.934 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -21.763 6.979 -10.850 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -21.150 8.635 -10.841 1.00 3.98 H new ATOM 788 N GLY A 47 -15.735 4.401 -10.137 1.00 0.78 N ATOM 789 CA GLY A 47 -14.330 4.024 -10.480 1.00 0.73 C ATOM 790 C GLY A 47 -13.381 4.179 -9.290 1.00 0.54 C ATOM 791 O GLY A 47 -12.249 3.741 -9.349 1.00 0.64 O ATOM 0 H GLY A 47 -15.973 5.378 -10.308 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.308 2.991 -10.828 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -13.980 4.645 -11.304 1.00 0.73 H new ATOM 795 N TRP A 48 -13.796 4.782 -8.211 1.00 0.44 N ATOM 796 CA TRP A 48 -12.845 4.916 -7.073 1.00 0.33 C ATOM 797 C TRP A 48 -12.439 3.508 -6.643 1.00 0.31 C ATOM 798 O TRP A 48 -11.308 3.253 -6.286 1.00 0.37 O ATOM 799 CB TRP A 48 -13.491 5.691 -5.911 1.00 0.36 C ATOM 800 CG TRP A 48 -14.297 4.793 -5.019 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.625 4.569 -5.140 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.857 4.018 -3.862 1.00 0.35 C ATOM 803 NE1 TRP A 48 -16.028 3.708 -4.136 1.00 0.37 N ATOM 804 CE2 TRP A 48 -14.976 3.339 -3.322 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.612 3.839 -3.234 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.865 2.514 -2.199 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.495 3.012 -2.104 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.621 2.352 -1.587 1.00 0.42 C ATOM 0 H TRP A 48 -14.725 5.178 -8.069 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.964 5.481 -7.376 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.714 6.182 -5.325 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.132 6.476 -6.311 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.267 4.994 -5.898 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -16.987 3.384 -4.012 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.739 4.341 -3.623 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.734 2.006 -1.808 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.533 2.883 -1.630 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.525 1.720 -0.717 1.00 0.42 H new ATOM 819 N GLN A 49 -13.362 2.593 -6.690 1.00 0.41 N ATOM 820 CA GLN A 49 -13.048 1.194 -6.301 1.00 0.47 C ATOM 821 C GLN A 49 -11.943 0.637 -7.203 1.00 0.37 C ATOM 822 O GLN A 49 -10.970 0.087 -6.739 1.00 0.38 O ATOM 823 CB GLN A 49 -14.317 0.348 -6.458 1.00 0.65 C ATOM 824 CG GLN A 49 -14.024 -1.105 -6.076 1.00 1.21 C ATOM 825 CD GLN A 49 -15.332 -1.899 -6.043 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.706 -2.432 -5.018 1.00 1.96 O ATOM 827 NE2 GLN A 49 -16.047 -2.004 -7.130 1.00 1.59 N ATOM 0 H GLN A 49 -14.326 2.755 -6.983 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.704 1.166 -5.267 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -15.111 0.746 -5.826 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.673 0.398 -7.487 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.335 -1.549 -6.794 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -13.538 -1.145 -5.101 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -15.734 -1.557 -7.992 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -16.919 -2.533 -7.118 1.00 1.59 H new ATOM 836 N ASN A 50 -12.091 0.767 -8.490 1.00 0.37 N ATOM 837 CA ASN A 50 -11.058 0.231 -9.424 1.00 0.39 C ATOM 838 C ASN A 50 -9.763 1.051 -9.343 1.00 0.34 C ATOM 839 O ASN A 50 -8.675 0.514 -9.410 1.00 0.39 O ATOM 840 CB ASN A 50 -11.607 0.289 -10.849 1.00 0.53 C ATOM 841 CG ASN A 50 -12.729 -0.740 -10.997 1.00 0.63 C ATOM 842 OD1 ASN A 50 -13.316 -0.871 -12.054 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.063 -1.470 -9.969 1.00 1.28 N ATOM 0 H ASN A 50 -12.885 1.223 -8.939 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.829 -0.797 -9.144 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.983 1.289 -11.066 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.812 0.084 -11.566 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -13.817 -2.152 -10.051 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -12.570 -1.359 -9.083 1.00 1.28 H new ATOM 850 N SER A 51 -9.869 2.348 -9.234 1.00 0.31 N ATOM 851 CA SER A 51 -8.644 3.205 -9.191 1.00 0.36 C ATOM 852 C SER A 51 -7.717 2.786 -8.045 1.00 0.37 C ATOM 853 O SER A 51 -6.509 2.864 -8.162 1.00 0.50 O ATOM 854 CB SER A 51 -9.049 4.667 -9.002 1.00 0.38 C ATOM 855 OG SER A 51 -9.648 4.828 -7.724 1.00 1.49 O ATOM 0 H SER A 51 -10.752 2.854 -9.173 1.00 0.31 H new ATOM 0 HA SER A 51 -8.109 3.082 -10.133 1.00 0.36 H new ATOM 0 HB2 SER A 51 -8.175 5.312 -9.090 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.747 4.967 -9.784 1.00 0.38 H new ATOM 0 HG SER A 51 -10.067 3.985 -7.451 1.00 1.49 H new ATOM 861 N ILE A 52 -8.254 2.347 -6.944 1.00 0.33 N ATOM 862 CA ILE A 52 -7.373 1.936 -5.813 1.00 0.43 C ATOM 863 C ILE A 52 -6.458 0.796 -6.272 1.00 0.42 C ATOM 864 O ILE A 52 -5.273 0.803 -6.018 1.00 0.47 O ATOM 865 CB ILE A 52 -8.245 1.472 -4.636 1.00 0.51 C ATOM 866 CG1 ILE A 52 -8.979 2.676 -4.012 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.394 0.763 -3.576 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.004 3.692 -3.404 1.00 0.64 C ATOM 0 H ILE A 52 -9.256 2.254 -6.776 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.759 2.778 -5.494 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.983 0.764 -5.013 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.584 3.166 -4.774 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -9.663 2.323 -3.240 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.032 0.443 -2.752 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.911 -0.107 -4.020 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.634 1.449 -3.201 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -8.565 4.523 -2.976 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -7.417 3.210 -2.623 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.337 4.066 -4.181 1.00 0.64 H new ATOM 880 N ARG A 53 -7.000 -0.183 -6.939 1.00 0.45 N ATOM 881 CA ARG A 53 -6.167 -1.334 -7.406 1.00 0.53 C ATOM 882 C ARG A 53 -5.277 -0.901 -8.576 1.00 0.49 C ATOM 883 O ARG A 53 -4.140 -1.313 -8.693 1.00 0.47 O ATOM 884 CB ARG A 53 -7.093 -2.473 -7.862 1.00 0.76 C ATOM 885 CG ARG A 53 -8.348 -2.464 -6.992 1.00 0.56 C ATOM 886 CD ARG A 53 -9.150 -3.747 -7.199 1.00 0.37 C ATOM 887 NE ARG A 53 -10.476 -3.610 -6.534 1.00 1.42 N ATOM 888 CZ ARG A 53 -11.440 -4.440 -6.828 1.00 1.74 C ATOM 889 NH1 ARG A 53 -11.240 -5.381 -7.710 1.00 1.58 N ATOM 890 NH2 ARG A 53 -12.601 -4.327 -6.243 1.00 2.76 N ATOM 0 H ARG A 53 -7.989 -0.239 -7.184 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.533 -1.675 -6.587 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -7.360 -2.345 -8.911 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -6.582 -3.432 -7.777 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.070 -2.367 -5.943 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -8.963 -1.599 -7.240 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.282 -3.939 -8.264 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -8.609 -4.598 -6.786 1.00 0.37 H new ATOM 0 HE ARG A 53 -10.631 -2.869 -5.850 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.332 -5.467 -8.168 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -11.991 -6.031 -7.942 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -12.756 -3.590 -5.555 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -13.353 -4.976 -6.473 1.00 2.76 H new ATOM 904 N HIS A 54 -5.802 -0.095 -9.458 1.00 0.52 N ATOM 905 CA HIS A 54 -5.010 0.344 -10.641 1.00 0.59 C ATOM 906 C HIS A 54 -3.750 1.088 -10.189 1.00 0.53 C ATOM 907 O HIS A 54 -2.691 0.927 -10.762 1.00 0.59 O ATOM 908 CB HIS A 54 -5.869 1.273 -11.503 1.00 0.67 C ATOM 909 CG HIS A 54 -5.188 1.518 -12.822 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.637 2.746 -13.153 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.970 0.705 -13.906 1.00 1.99 C ATOM 912 CE1 HIS A 54 -4.121 2.637 -14.391 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.297 1.413 -14.896 1.00 2.48 N ATOM 0 H HIS A 54 -6.749 0.280 -9.409 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.714 -0.532 -11.218 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.850 0.828 -11.667 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.030 2.219 -10.985 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -5.275 -0.328 -13.979 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.625 3.442 -14.913 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -4.002 1.071 -15.811 1.00 2.48 H new ATOM 921 N ASN A 55 -3.847 1.907 -9.177 1.00 0.46 N ATOM 922 CA ASN A 55 -2.641 2.656 -8.721 1.00 0.50 C ATOM 923 C ASN A 55 -1.689 1.731 -7.955 1.00 0.45 C ATOM 924 O ASN A 55 -0.502 1.984 -7.889 1.00 0.51 O ATOM 925 CB ASN A 55 -3.060 3.823 -7.821 1.00 0.53 C ATOM 926 CG ASN A 55 -3.760 3.296 -6.568 1.00 1.27 C ATOM 927 OD1 ASN A 55 -3.383 2.276 -6.027 1.00 2.07 O ATOM 928 ND2 ASN A 55 -4.770 3.961 -6.078 1.00 1.97 N ATOM 0 H ASN A 55 -4.701 2.089 -8.650 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.123 3.043 -9.599 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -2.184 4.407 -7.539 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -3.727 4.491 -8.366 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.244 3.624 -5.240 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -5.086 4.817 -6.533 1.00 1.97 H new ATOM 935 N LEU A 56 -2.179 0.668 -7.370 1.00 0.39 N ATOM 936 CA LEU A 56 -1.258 -0.235 -6.619 1.00 0.39 C ATOM 937 C LEU A 56 -0.247 -0.867 -7.578 1.00 0.44 C ATOM 938 O LEU A 56 0.925 -0.970 -7.275 1.00 0.78 O ATOM 939 CB LEU A 56 -2.037 -1.349 -5.907 1.00 0.44 C ATOM 940 CG LEU A 56 -2.757 -0.804 -4.662 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.636 -1.911 -4.067 1.00 0.65 C ATOM 942 CD2 LEU A 56 -1.738 -0.334 -3.604 1.00 0.53 C ATOM 0 H LEU A 56 -3.160 0.390 -7.379 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.737 0.364 -5.872 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.765 -1.784 -6.592 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.354 -2.148 -5.617 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.371 0.048 -4.954 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.150 -1.532 -3.184 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.371 -2.229 -4.806 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -3.012 -2.760 -3.788 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -2.269 0.048 -2.732 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.109 -1.173 -3.307 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -1.115 0.456 -4.024 1.00 0.53 H new ATOM 954 N SER A 57 -0.685 -1.304 -8.727 1.00 0.55 N ATOM 955 CA SER A 57 0.263 -1.942 -9.685 1.00 0.61 C ATOM 956 C SER A 57 1.216 -0.891 -10.258 1.00 0.64 C ATOM 957 O SER A 57 2.395 -1.139 -10.419 1.00 0.69 O ATOM 958 CB SER A 57 -0.525 -2.589 -10.826 1.00 0.71 C ATOM 959 OG SER A 57 -1.074 -1.573 -11.653 1.00 1.60 O ATOM 0 H SER A 57 -1.653 -1.248 -9.043 1.00 0.55 H new ATOM 0 HA SER A 57 0.843 -2.702 -9.161 1.00 0.61 H new ATOM 0 HB2 SER A 57 0.127 -3.238 -11.411 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.321 -3.216 -10.424 1.00 0.71 H new ATOM 0 HG SER A 57 -1.533 -0.910 -11.096 1.00 1.60 H new ATOM 965 N LEU A 58 0.727 0.278 -10.570 1.00 0.65 N ATOM 966 CA LEU A 58 1.627 1.322 -11.135 1.00 0.73 C ATOM 967 C LEU A 58 2.590 1.802 -10.051 1.00 0.69 C ATOM 968 O LEU A 58 3.758 2.028 -10.299 1.00 0.76 O ATOM 969 CB LEU A 58 0.802 2.508 -11.629 1.00 0.81 C ATOM 970 CG LEU A 58 -0.030 2.095 -12.848 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.029 3.210 -13.173 1.00 1.38 C ATOM 972 CD2 LEU A 58 0.877 1.839 -14.064 1.00 1.31 C ATOM 0 H LEU A 58 -0.249 0.554 -10.459 1.00 0.65 H new ATOM 0 HA LEU A 58 2.187 0.897 -11.968 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.146 2.862 -10.834 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.461 3.336 -11.891 1.00 0.81 H new ATOM 0 HG LEU A 58 -0.563 1.173 -12.618 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.625 2.923 -14.040 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.686 3.371 -12.318 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -0.488 4.130 -13.393 1.00 1.38 H new ATOM 0 HD21 LEU A 58 0.266 1.547 -14.918 1.00 1.31 H new ATOM 0 HD22 LEU A 58 1.427 2.748 -14.305 1.00 1.31 H new ATOM 0 HD23 LEU A 58 1.581 1.040 -13.831 1.00 1.31 H new ATOM 984 N ASN A 59 2.111 1.957 -8.847 1.00 0.62 N ATOM 985 CA ASN A 59 3.006 2.422 -7.753 1.00 0.61 C ATOM 986 C ASN A 59 3.905 1.266 -7.325 1.00 0.56 C ATOM 987 O ASN A 59 3.443 0.236 -6.873 1.00 0.52 O ATOM 988 CB ASN A 59 2.165 2.891 -6.564 1.00 0.64 C ATOM 989 CG ASN A 59 1.494 4.218 -6.916 1.00 0.83 C ATOM 990 OD1 ASN A 59 0.322 4.407 -6.656 1.00 1.42 O ATOM 991 ND2 ASN A 59 2.191 5.151 -7.505 1.00 1.29 N ATOM 0 H ASN A 59 1.143 1.782 -8.576 1.00 0.62 H new ATOM 0 HA ASN A 59 3.618 3.253 -8.104 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.412 2.143 -6.318 1.00 0.64 H new ATOM 0 HB3 ASN A 59 2.795 3.011 -5.682 1.00 0.64 H new ATOM 0 HD21 ASN A 59 1.752 6.039 -7.747 1.00 1.29 H new ATOM 0 HD22 ASN A 59 3.175 4.992 -7.723 1.00 1.29 H new ATOM 998 N GLU A 60 5.190 1.431 -7.468 1.00 0.62 N ATOM 999 CA GLU A 60 6.134 0.350 -7.079 1.00 0.65 C ATOM 1000 C GLU A 60 6.525 0.532 -5.611 1.00 0.58 C ATOM 1001 O GLU A 60 7.207 -0.290 -5.032 1.00 0.55 O ATOM 1002 CB GLU A 60 7.377 0.441 -7.965 1.00 0.84 C ATOM 1003 CG GLU A 60 6.966 0.270 -9.430 1.00 0.97 C ATOM 1004 CD GLU A 60 8.203 0.359 -10.325 1.00 1.52 C ATOM 1005 OE1 GLU A 60 9.252 0.719 -9.818 1.00 2.02 O ATOM 1006 OE2 GLU A 60 8.081 0.061 -11.502 1.00 2.17 O ATOM 0 H GLU A 60 5.628 2.274 -7.840 1.00 0.62 H new ATOM 0 HA GLU A 60 5.667 -0.626 -7.207 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.869 1.403 -7.823 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.095 -0.329 -7.684 1.00 0.84 H new ATOM 0 HG2 GLU A 60 6.472 -0.692 -9.570 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.247 1.041 -9.709 1.00 0.97 H new ATOM 1013 N CYS A 61 6.093 1.605 -5.003 1.00 0.62 N ATOM 1014 CA CYS A 61 6.431 1.839 -3.571 1.00 0.65 C ATOM 1015 C CYS A 61 5.874 0.693 -2.725 1.00 0.53 C ATOM 1016 O CYS A 61 6.509 0.226 -1.801 1.00 0.57 O ATOM 1017 CB CYS A 61 5.812 3.159 -3.107 1.00 0.78 C ATOM 1018 SG CYS A 61 6.676 4.545 -3.888 1.00 1.56 S ATOM 0 H CYS A 61 5.521 2.329 -5.437 1.00 0.62 H new ATOM 0 HA CYS A 61 7.514 1.886 -3.457 1.00 0.65 H new ATOM 0 HB2 CYS A 61 4.753 3.186 -3.365 1.00 0.78 H new ATOM 0 HB3 CYS A 61 5.878 3.241 -2.022 1.00 0.78 H new ATOM 0 HG CYS A 61 6.146 5.665 -3.493 1.00 1.56 H new ATOM 1024 N PHE A 62 4.689 0.236 -3.035 1.00 0.46 N ATOM 1025 CA PHE A 62 4.093 -0.883 -2.251 1.00 0.40 C ATOM 1026 C PHE A 62 4.588 -2.208 -2.831 1.00 0.44 C ATOM 1027 O PHE A 62 4.822 -2.321 -4.017 1.00 0.55 O ATOM 1028 CB PHE A 62 2.566 -0.828 -2.345 1.00 0.44 C ATOM 1029 CG PHE A 62 2.074 0.525 -1.886 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.093 0.851 -0.525 1.00 1.29 C ATOM 1031 CD2 PHE A 62 1.593 1.450 -2.821 1.00 1.27 C ATOM 1032 CE1 PHE A 62 1.633 2.102 -0.099 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.132 2.701 -2.394 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.153 3.028 -1.033 1.00 0.59 C ATOM 0 H PHE A 62 4.110 0.590 -3.796 1.00 0.46 H new ATOM 0 HA PHE A 62 4.389 -0.796 -1.206 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.249 -1.012 -3.372 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.126 -1.613 -1.730 1.00 0.44 H new ATOM 0 HD1 PHE A 62 2.463 0.137 0.196 1.00 1.29 H new ATOM 0 HD2 PHE A 62 1.578 1.198 -3.871 1.00 1.27 H new ATOM 0 HE1 PHE A 62 1.648 2.353 0.951 1.00 1.32 H new ATOM 0 HE2 PHE A 62 0.760 3.414 -3.115 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.799 3.994 -0.704 1.00 0.59 H new ATOM 1044 N VAL A 63 4.760 -3.207 -2.002 1.00 0.46 N ATOM 1045 CA VAL A 63 5.254 -4.530 -2.493 1.00 0.55 C ATOM 1046 C VAL A 63 4.170 -5.589 -2.276 1.00 0.45 C ATOM 1047 O VAL A 63 3.700 -5.793 -1.175 1.00 0.45 O ATOM 1048 CB VAL A 63 6.504 -4.914 -1.697 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.136 -6.178 -2.289 1.00 0.85 C ATOM 1050 CG2 VAL A 63 7.514 -3.767 -1.760 1.00 0.91 C ATOM 0 H VAL A 63 4.578 -3.162 -0.999 1.00 0.46 H new ATOM 0 HA VAL A 63 5.492 -4.468 -3.555 1.00 0.55 H new ATOM 0 HB VAL A 63 6.224 -5.106 -0.661 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.025 -6.443 -1.716 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.419 -6.998 -2.246 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.415 -5.994 -3.326 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.406 -4.036 -1.194 1.00 0.91 H new ATOM 0 HG22 VAL A 63 7.786 -3.578 -2.799 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.071 -2.868 -1.332 1.00 0.91 H new ATOM 1060 N LYS A 64 3.781 -6.275 -3.316 1.00 0.53 N ATOM 1061 CA LYS A 64 2.743 -7.331 -3.160 1.00 0.56 C ATOM 1062 C LYS A 64 3.407 -8.583 -2.585 1.00 0.54 C ATOM 1063 O LYS A 64 4.433 -9.027 -3.062 1.00 0.77 O ATOM 1064 CB LYS A 64 2.115 -7.635 -4.525 1.00 0.84 C ATOM 1065 CG LYS A 64 1.149 -8.823 -4.406 1.00 0.94 C ATOM 1066 CD LYS A 64 0.137 -8.797 -5.558 1.00 1.11 C ATOM 1067 CE LYS A 64 0.865 -8.653 -6.897 1.00 1.05 C ATOM 1068 NZ LYS A 64 2.026 -9.587 -6.936 1.00 1.81 N ATOM 0 H LYS A 64 4.136 -6.150 -4.264 1.00 0.53 H new ATOM 0 HA LYS A 64 1.956 -6.995 -2.485 1.00 0.56 H new ATOM 0 HB2 LYS A 64 1.582 -6.758 -4.893 1.00 0.84 H new ATOM 0 HB3 LYS A 64 2.896 -7.862 -5.251 1.00 0.84 H new ATOM 0 HG2 LYS A 64 1.707 -9.759 -4.423 1.00 0.94 H new ATOM 0 HG3 LYS A 64 0.626 -8.782 -3.451 1.00 0.94 H new ATOM 0 HD2 LYS A 64 -0.454 -9.713 -5.554 1.00 1.11 H new ATOM 0 HD3 LYS A 64 -0.558 -7.968 -5.423 1.00 1.11 H new ATOM 0 HE2 LYS A 64 0.183 -8.870 -7.719 1.00 1.05 H new ATOM 0 HE3 LYS A 64 1.206 -7.626 -7.029 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 2.183 -9.905 -7.914 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 2.877 -9.098 -6.591 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.830 -10.410 -6.331 1.00 1.81 H new ATOM 1082 N VAL A 65 2.838 -9.137 -1.546 1.00 0.50 N ATOM 1083 CA VAL A 65 3.429 -10.347 -0.895 1.00 0.57 C ATOM 1084 C VAL A 65 2.506 -11.557 -1.106 1.00 0.63 C ATOM 1085 O VAL A 65 1.525 -11.709 -0.405 1.00 0.84 O ATOM 1086 CB VAL A 65 3.551 -10.073 0.606 1.00 0.69 C ATOM 1087 CG1 VAL A 65 4.331 -11.206 1.276 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.292 -8.751 0.821 1.00 0.69 C ATOM 0 H VAL A 65 1.978 -8.799 -1.115 1.00 0.50 H new ATOM 0 HA VAL A 65 4.405 -10.561 -1.330 1.00 0.57 H new ATOM 0 HB VAL A 65 2.555 -10.012 1.044 1.00 0.69 H new ATOM 0 HG11 VAL A 65 4.416 -11.007 2.344 1.00 1.28 H new ATOM 0 HG12 VAL A 65 3.806 -12.149 1.123 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.327 -11.270 0.839 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.380 -8.553 1.889 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.287 -8.816 0.380 1.00 0.69 H new ATOM 0 HG23 VAL A 65 3.737 -7.942 0.347 1.00 0.69 H new ATOM 1098 N PRO A 66 2.807 -12.421 -2.048 1.00 0.81 N ATOM 1099 CA PRO A 66 1.971 -13.631 -2.314 1.00 0.96 C ATOM 1100 C PRO A 66 1.707 -14.444 -1.039 1.00 0.95 C ATOM 1101 O PRO A 66 2.324 -14.228 -0.015 1.00 1.13 O ATOM 1102 CB PRO A 66 2.805 -14.444 -3.315 1.00 1.25 C ATOM 1103 CG PRO A 66 3.677 -13.441 -3.998 1.00 1.65 C ATOM 1104 CD PRO A 66 3.958 -12.347 -2.966 1.00 1.18 C ATOM 0 HA PRO A 66 0.984 -13.366 -2.693 1.00 0.96 H new ATOM 0 HB2 PRO A 66 3.400 -15.203 -2.808 1.00 1.25 H new ATOM 0 HB3 PRO A 66 2.167 -14.964 -4.030 1.00 1.25 H new ATOM 0 HG2 PRO A 66 4.604 -13.900 -4.341 1.00 1.65 H new ATOM 0 HG3 PRO A 66 3.182 -13.029 -4.877 1.00 1.65 H new ATOM 0 HD2 PRO A 66 4.898 -12.523 -2.443 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.033 -11.366 -3.434 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.960 -10.091 0.114 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.975 -8.945 1.075 1.00 0.46 C ATOM 1267 C TYR A 77 -0.135 -7.797 0.506 1.00 0.38 C ATOM 1268 O TYR A 77 0.728 -8.002 -0.326 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.363 -9.373 2.417 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.776 -10.786 2.758 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.131 -11.107 2.905 1.00 1.39 C ATOM 1272 CD2 TYR A 77 0.199 -11.777 2.938 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.509 -12.417 3.228 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.178 -13.085 3.259 1.00 1.32 C ATOM 1275 CZ TYR A 77 -1.532 -13.404 3.403 1.00 0.70 C ATOM 1276 OH TYR A 77 -1.905 -14.694 3.723 1.00 0.90 O ATOM 0 HA TYR A 77 -2.006 -8.626 1.226 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.724 -9.307 2.366 1.00 0.65 H new ATOM 0 HB3 TYR A 77 -0.686 -8.693 3.205 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.884 -10.345 2.769 1.00 1.39 H new ATOM 0 HD2 TYR A 77 1.245 -11.530 2.828 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -3.554 -12.665 3.342 1.00 1.38 H new ATOM 0 HE2 TYR A 77 0.575 -13.847 3.395 1.00 1.32 H new ATOM 0 HH TYR A 77 -1.105 -15.254 3.808 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.371 -6.596 0.968 1.00 0.32 N ATOM 1287 CA TRP A 78 0.417 -5.417 0.491 1.00 0.31 C ATOM 1288 C TRP A 78 1.132 -4.787 1.690 1.00 0.32 C ATOM 1289 O TRP A 78 0.556 -4.619 2.746 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.534 -4.396 -0.134 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.062 -4.932 -1.426 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.169 -5.699 -1.563 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.520 -4.754 -2.767 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.342 -5.998 -2.904 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.350 -5.438 -3.686 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.601 -4.069 -3.269 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.075 -5.441 -5.057 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.880 -4.070 -4.644 1.00 0.45 C ATOM 1299 CH2 TRP A 78 0.045 -4.754 -5.536 1.00 0.46 C ATOM 0 H TRP A 78 -1.084 -6.378 1.664 1.00 0.32 H new ATOM 0 HA TRP A 78 1.149 -5.730 -0.253 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.358 -4.185 0.548 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.012 -3.454 -0.305 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.812 -6.024 -0.758 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.108 -6.563 -3.270 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.252 -3.538 -2.591 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.723 -5.970 -5.741 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.744 -3.540 -5.017 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.266 -4.751 -6.593 1.00 0.46 H new ATOM 1310 N THR A 79 2.385 -4.445 1.542 1.00 0.33 N ATOM 1311 CA THR A 79 3.134 -3.834 2.682 1.00 0.37 C ATOM 1312 C THR A 79 4.220 -2.894 2.152 1.00 0.40 C ATOM 1313 O THR A 79 4.629 -2.979 1.011 1.00 0.45 O ATOM 1314 CB THR A 79 3.777 -4.940 3.524 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.488 -4.354 4.606 1.00 0.55 O ATOM 1316 CG2 THR A 79 4.740 -5.758 2.661 1.00 0.56 C ATOM 0 H THR A 79 2.922 -4.562 0.683 1.00 0.33 H new ATOM 0 HA THR A 79 2.440 -3.263 3.299 1.00 0.37 H new ATOM 0 HB THR A 79 2.999 -5.598 3.910 1.00 0.49 H new ATOM 0 HG1 THR A 79 4.899 -5.060 5.148 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.194 -6.543 3.266 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.193 -6.209 1.833 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.520 -5.106 2.268 1.00 0.56 H new ATOM 1324 N LEU A 80 4.689 -2.001 2.981 1.00 0.45 N ATOM 1325 CA LEU A 80 5.749 -1.049 2.540 1.00 0.53 C ATOM 1326 C LEU A 80 7.099 -1.771 2.537 1.00 0.74 C ATOM 1327 O LEU A 80 7.271 -2.783 3.186 1.00 1.42 O ATOM 1328 CB LEU A 80 5.812 0.126 3.522 1.00 0.54 C ATOM 1329 CG LEU A 80 4.450 0.834 3.590 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.366 1.660 4.875 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.276 1.768 2.386 1.00 0.81 C ATOM 0 H LEU A 80 4.383 -1.889 3.948 1.00 0.45 H new ATOM 0 HA LEU A 80 5.522 -0.681 1.539 1.00 0.53 H new ATOM 0 HB2 LEU A 80 6.093 -0.233 4.512 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.581 0.831 3.208 1.00 0.54 H new ATOM 0 HG LEU A 80 3.663 0.080 3.578 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.400 2.162 4.922 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.476 1.003 5.738 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.162 2.404 4.882 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.307 2.263 2.447 1.00 0.81 H new ATOM 0 HD22 LEU A 80 5.067 2.518 2.390 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.330 1.188 1.465 1.00 0.81 H new