USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 464 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.605 X(o=-0.6,f=-0.47) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.0811 X(o=-0.081,f=-0.081) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -27:sc= 0.941 USER MOD Single : A 53 ASN : amide:sc= -0.323 K(o=-0.32,f=-5.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N PHE A 5 1.425 5.235 -11.132 1.00 24.52 N ATOM 60 CA PHE A 5 1.951 5.331 -12.489 1.00 1.34 C ATOM 61 C PHE A 5 2.005 6.785 -12.948 1.00 44.33 C ATOM 62 O PHE A 5 1.636 7.697 -12.207 1.00 62.05 O ATOM 63 CB PHE A 5 1.090 4.512 -13.452 1.00 33.13 C ATOM 64 CG PHE A 5 1.492 3.067 -13.535 1.00 2.21 C ATOM 65 CD1 PHE A 5 1.146 2.179 -12.530 1.00 22.15 C ATOM 66 CD2 PHE A 5 2.217 2.598 -14.618 1.00 61.34 C ATOM 67 CE1 PHE A 5 1.515 0.849 -12.603 1.00 73.32 C ATOM 68 CE2 PHE A 5 2.588 1.269 -14.698 1.00 31.32 C ATOM 69 CZ PHE A 5 2.237 0.393 -13.688 1.00 45.44 C ATOM 0 HA PHE A 5 2.964 4.930 -12.489 1.00 1.34 H new ATOM 0 HB2 PHE A 5 0.048 4.573 -13.137 1.00 33.13 H new ATOM 0 HB3 PHE A 5 1.149 4.955 -14.446 1.00 33.13 H new ATOM 0 HD1 PHE A 5 0.581 2.530 -11.679 1.00 22.15 H new ATOM 0 HD2 PHE A 5 2.496 3.279 -15.409 1.00 61.34 H new ATOM 0 HE1 PHE A 5 1.239 0.167 -11.812 1.00 73.32 H new ATOM 0 HE2 PHE A 5 3.152 0.915 -15.549 1.00 31.32 H new ATOM 0 HZ PHE A 5 2.527 -0.646 -13.747 1.00 45.44 H new ATOM 79 N CYS A 6 2.469 6.994 -14.176 1.00 10.30 N ATOM 80 CA CYS A 6 2.574 8.336 -14.736 1.00 54.22 C ATOM 81 C CYS A 6 2.251 8.330 -16.228 1.00 22.42 C ATOM 82 O CYS A 6 2.785 7.520 -16.986 1.00 45.10 O ATOM 83 CB CYS A 6 3.978 8.898 -14.509 1.00 44.14 C ATOM 84 SG CYS A 6 4.320 9.371 -12.784 1.00 3.32 S ATOM 0 H CYS A 6 2.778 6.251 -14.802 1.00 10.30 H new ATOM 0 HA CYS A 6 1.849 8.972 -14.228 1.00 54.22 H new ATOM 0 HB2 CYS A 6 4.710 8.154 -14.822 1.00 44.14 H new ATOM 0 HB3 CYS A 6 4.116 9.770 -15.148 1.00 44.14 H new ATOM 89 N VAL A 7 1.373 9.238 -16.642 1.00 25.01 N ATOM 90 CA VAL A 7 0.980 9.338 -18.042 1.00 43.43 C ATOM 91 C VAL A 7 1.363 10.694 -18.625 1.00 2.33 C ATOM 92 O VAL A 7 1.414 11.696 -17.911 1.00 13.30 O ATOM 93 CB VAL A 7 -0.535 9.127 -18.216 1.00 73.33 C ATOM 94 CG1 VAL A 7 -0.899 7.666 -17.997 1.00 14.34 C ATOM 95 CG2 VAL A 7 -1.311 10.027 -17.267 1.00 31.25 C ATOM 0 H VAL A 7 0.920 9.915 -16.028 1.00 25.01 H new ATOM 0 HA VAL A 7 1.513 8.552 -18.577 1.00 43.43 H new ATOM 0 HB VAL A 7 -0.807 9.395 -19.237 1.00 73.33 H new ATOM 0 HG11 VAL A 7 -1.974 7.536 -18.124 1.00 14.34 H new ATOM 0 HG12 VAL A 7 -0.370 7.047 -18.722 1.00 14.34 H new ATOM 0 HG13 VAL A 7 -0.614 7.367 -16.988 1.00 14.34 H new ATOM 0 HG21 VAL A 7 -2.380 9.864 -17.404 1.00 31.25 H new ATOM 0 HG22 VAL A 7 -1.037 9.793 -16.238 1.00 31.25 H new ATOM 0 HG23 VAL A 7 -1.073 11.070 -17.478 1.00 31.25 H new ATOM 105 N TYR A 8 1.632 10.719 -19.925 1.00 73.43 N ATOM 106 CA TYR A 8 2.012 11.952 -20.604 1.00 62.43 C ATOM 107 C TYR A 8 0.973 12.340 -21.652 1.00 21.32 C ATOM 108 O TYR A 8 0.547 11.511 -22.457 1.00 44.32 O ATOM 109 CB TYR A 8 3.383 11.793 -21.264 1.00 1.10 C ATOM 110 CG TYR A 8 4.285 12.993 -21.082 1.00 21.24 C ATOM 111 CD1 TYR A 8 4.549 13.502 -19.816 1.00 12.11 C ATOM 112 CD2 TYR A 8 4.873 13.618 -22.174 1.00 71.45 C ATOM 113 CE1 TYR A 8 5.372 14.598 -19.644 1.00 52.43 C ATOM 114 CE2 TYR A 8 5.698 14.713 -22.012 1.00 42.42 C ATOM 115 CZ TYR A 8 5.944 15.200 -20.745 1.00 44.24 C ATOM 116 OH TYR A 8 6.765 16.292 -20.580 1.00 11.43 O ATOM 0 H TYR A 8 1.594 9.899 -20.530 1.00 73.43 H new ATOM 0 HA TYR A 8 2.064 12.746 -19.859 1.00 62.43 H new ATOM 0 HB2 TYR A 8 3.876 10.913 -20.851 1.00 1.10 H new ATOM 0 HB3 TYR A 8 3.245 11.611 -22.330 1.00 1.10 H new ATOM 0 HD1 TYR A 8 4.103 13.033 -18.952 1.00 12.11 H new ATOM 0 HD2 TYR A 8 4.681 13.241 -23.168 1.00 71.45 H new ATOM 0 HE1 TYR A 8 5.566 14.981 -18.653 1.00 52.43 H new ATOM 0 HE2 TYR A 8 6.148 15.186 -22.872 1.00 42.42 H new ATOM 0 HH TYR A 8 7.086 16.595 -21.455 1.00 11.43 H new ATOM 126 N TYR A 9 0.570 13.605 -21.635 1.00 13.15 N ATOM 127 CA TYR A 9 -0.421 14.104 -22.581 1.00 2.51 C ATOM 128 C TYR A 9 0.164 15.217 -23.445 1.00 42.23 C ATOM 129 O TYR A 9 1.298 15.649 -23.237 1.00 63.15 O ATOM 130 CB TYR A 9 -1.655 14.617 -21.837 1.00 20.03 C ATOM 131 CG TYR A 9 -2.521 13.515 -21.269 1.00 61.03 C ATOM 132 CD1 TYR A 9 -3.359 12.770 -22.090 1.00 1.50 C ATOM 133 CD2 TYR A 9 -2.500 13.218 -19.912 1.00 60.30 C ATOM 134 CE1 TYR A 9 -4.152 11.763 -21.575 1.00 52.45 C ATOM 135 CE2 TYR A 9 -3.289 12.211 -19.389 1.00 42.30 C ATOM 136 CZ TYR A 9 -4.113 11.487 -20.225 1.00 15.44 C ATOM 137 OH TYR A 9 -4.901 10.484 -19.708 1.00 51.05 O ATOM 0 H TYR A 9 0.914 14.304 -20.977 1.00 13.15 H new ATOM 0 HA TYR A 9 -0.714 13.279 -23.230 1.00 2.51 H new ATOM 0 HB2 TYR A 9 -1.334 15.270 -21.026 1.00 20.03 H new ATOM 0 HB3 TYR A 9 -2.253 15.224 -22.517 1.00 20.03 H new ATOM 0 HD1 TYR A 9 -3.391 12.982 -23.149 1.00 1.50 H new ATOM 0 HD2 TYR A 9 -1.856 13.784 -19.255 1.00 60.30 H new ATOM 0 HE1 TYR A 9 -4.799 11.195 -22.227 1.00 52.45 H new ATOM 0 HE2 TYR A 9 -3.260 11.992 -18.332 1.00 42.30 H new ATOM 0 HH TYR A 9 -4.754 10.418 -18.741 1.00 51.05 H new ATOM 147 N ASP A 10 -0.618 15.677 -24.415 1.00 54.21 N ATOM 148 CA ASP A 10 -0.180 16.741 -25.311 1.00 55.12 C ATOM 149 C ASP A 10 -1.176 17.897 -25.310 1.00 72.20 C ATOM 150 O ASP A 10 -2.365 17.706 -25.056 1.00 25.52 O ATOM 151 CB ASP A 10 -0.008 16.202 -26.732 1.00 31.40 C ATOM 152 CG ASP A 10 1.359 16.515 -27.308 1.00 73.23 C ATOM 153 OD1 ASP A 10 2.354 16.416 -26.561 1.00 0.41 O ATOM 154 OD2 ASP A 10 1.433 16.859 -28.507 1.00 10.23 O ATOM 0 H ASP A 10 -1.559 15.330 -24.601 1.00 54.21 H new ATOM 0 HA ASP A 10 0.780 17.112 -24.952 1.00 55.12 H new ATOM 0 HB2 ASP A 10 -0.159 15.123 -26.729 1.00 31.40 H new ATOM 0 HB3 ASP A 10 -0.777 16.630 -27.375 1.00 31.40 H new ATOM 159 N GLY A 11 -0.682 19.098 -25.595 1.00 62.22 N ATOM 160 CA GLY A 11 -1.541 20.267 -25.620 1.00 71.13 C ATOM 161 C GLY A 11 -2.768 20.066 -26.488 1.00 2.31 C ATOM 162 O GLY A 11 -2.684 20.118 -27.715 1.00 72.34 O ATOM 0 H GLY A 11 0.298 19.282 -25.809 1.00 62.22 H new ATOM 0 HA2 GLY A 11 -1.854 20.506 -24.604 1.00 71.13 H new ATOM 0 HA3 GLY A 11 -0.975 21.122 -25.989 1.00 71.13 H new ATOM 166 N HIS A 12 -3.911 19.835 -25.850 1.00 2.23 N ATOM 167 CA HIS A 12 -5.161 19.625 -26.572 1.00 25.32 C ATOM 168 C HIS A 12 -6.344 19.587 -25.610 1.00 11.22 C ATOM 169 O HIS A 12 -6.324 18.866 -24.611 1.00 64.15 O ATOM 170 CB HIS A 12 -5.098 18.324 -27.373 1.00 52.01 C ATOM 171 CG HIS A 12 -4.841 18.532 -28.834 1.00 3.22 C ATOM 172 ND1 HIS A 12 -4.030 17.703 -29.581 1.00 14.42 N ATOM 173 CD2 HIS A 12 -5.293 19.481 -29.686 1.00 53.41 C ATOM 174 CE1 HIS A 12 -3.994 18.135 -30.829 1.00 33.21 C ATOM 175 NE2 HIS A 12 -4.753 19.212 -30.919 1.00 42.35 N ATOM 0 H HIS A 12 -3.998 19.788 -24.835 1.00 2.23 H new ATOM 0 HA HIS A 12 -5.301 20.460 -27.259 1.00 25.32 H new ATOM 0 HB2 HIS A 12 -4.312 17.691 -26.961 1.00 52.01 H new ATOM 0 HB3 HIS A 12 -6.038 17.786 -27.251 1.00 52.01 H new ATOM 0 HD2 HIS A 12 -5.955 20.298 -29.441 1.00 53.41 H new ATOM 0 HE1 HIS A 12 -3.438 17.684 -31.638 1.00 33.21 H new ATOM 0 HE2 HIS A 12 -4.912 19.756 -31.767 1.00 42.35 H new ATOM 183 N LEU A 13 -7.374 20.369 -25.916 1.00 21.52 N ATOM 184 CA LEU A 13 -8.567 20.425 -25.078 1.00 3.40 C ATOM 185 C LEU A 13 -9.092 19.024 -24.783 1.00 13.20 C ATOM 186 O LEU A 13 -8.773 18.057 -25.474 1.00 74.43 O ATOM 187 CB LEU A 13 -9.654 21.257 -25.760 1.00 51.14 C ATOM 188 CG LEU A 13 -9.835 22.683 -25.239 1.00 32.04 C ATOM 189 CD1 LEU A 13 -8.506 23.421 -25.230 1.00 4.10 C ATOM 190 CD2 LEU A 13 -10.858 23.433 -26.080 1.00 31.24 C ATOM 0 H LEU A 13 -7.407 20.973 -26.738 1.00 21.52 H new ATOM 0 HA LEU A 13 -8.296 20.897 -24.134 1.00 3.40 H new ATOM 0 HB2 LEU A 13 -9.430 21.307 -26.826 1.00 51.14 H new ATOM 0 HB3 LEU A 13 -10.603 20.731 -25.658 1.00 51.14 H new ATOM 0 HG LEU A 13 -10.205 22.630 -24.215 1.00 32.04 H new ATOM 0 HD11 LEU A 13 -8.655 24.434 -24.856 1.00 4.10 H new ATOM 0 HD12 LEU A 13 -7.802 22.896 -24.584 1.00 4.10 H new ATOM 0 HD13 LEU A 13 -8.106 23.463 -26.243 1.00 4.10 H new ATOM 0 HD21 LEU A 13 -10.974 24.446 -25.694 1.00 31.24 H new ATOM 0 HD22 LEU A 13 -10.518 23.475 -27.115 1.00 31.24 H new ATOM 0 HD23 LEU A 13 -11.816 22.916 -26.034 1.00 31.24 H new ATOM 202 N PRO A 14 -9.919 18.911 -23.733 1.00 32.00 N ATOM 203 CA PRO A 14 -10.509 17.633 -23.324 1.00 70.31 C ATOM 204 C PRO A 14 -11.547 17.128 -24.321 1.00 10.13 C ATOM 205 O PRO A 14 -12.025 15.999 -24.215 1.00 42.03 O ATOM 206 CB PRO A 14 -11.170 17.960 -21.983 1.00 12.00 C ATOM 207 CG PRO A 14 -11.452 19.422 -22.046 1.00 60.52 C ATOM 208 CD PRO A 14 -10.342 20.022 -22.864 1.00 55.14 C ATOM 0 HA PRO A 14 -9.763 16.840 -23.265 1.00 70.31 H new ATOM 0 HB2 PRO A 14 -12.086 17.386 -21.843 1.00 12.00 H new ATOM 0 HB3 PRO A 14 -10.512 17.719 -21.148 1.00 12.00 H new ATOM 0 HG2 PRO A 14 -12.422 19.613 -22.505 1.00 60.52 H new ATOM 0 HG3 PRO A 14 -11.480 19.858 -21.047 1.00 60.52 H new ATOM 0 HD2 PRO A 14 -10.688 20.877 -23.445 1.00 55.14 H new ATOM 0 HD3 PRO A 14 -9.524 20.374 -22.235 1.00 55.14 H new ATOM 216 N ALA A 15 -11.891 17.972 -25.288 1.00 12.11 N ATOM 217 CA ALA A 15 -12.871 17.610 -26.305 1.00 2.12 C ATOM 218 C ALA A 15 -12.232 16.777 -27.410 1.00 61.35 C ATOM 219 O ALA A 15 -12.893 15.950 -28.041 1.00 4.15 O ATOM 220 CB ALA A 15 -13.513 18.860 -26.888 1.00 0.33 C ATOM 0 H ALA A 15 -11.506 18.911 -25.389 1.00 12.11 H new ATOM 0 HA ALA A 15 -13.644 17.005 -25.831 1.00 2.12 H new ATOM 0 HB1 ALA A 15 -14.242 18.575 -27.646 1.00 0.33 H new ATOM 0 HB2 ALA A 15 -14.013 19.416 -26.095 1.00 0.33 H new ATOM 0 HB3 ALA A 15 -12.745 19.486 -27.342 1.00 0.33 H new ATOM 226 N THR A 16 -10.942 16.999 -27.643 1.00 1.12 N ATOM 227 CA THR A 16 -10.214 16.270 -28.674 1.00 12.22 C ATOM 228 C THR A 16 -8.827 15.866 -28.187 1.00 13.34 C ATOM 229 O THR A 16 -7.900 15.712 -28.982 1.00 34.31 O ATOM 230 CB THR A 16 -10.071 17.107 -29.959 1.00 2.52 C ATOM 231 OG1 THR A 16 -9.767 18.467 -29.626 1.00 74.14 O ATOM 232 CG2 THR A 16 -11.347 17.055 -30.784 1.00 74.33 C ATOM 0 H THR A 16 -10.380 17.679 -27.131 1.00 1.12 H new ATOM 0 HA THR A 16 -10.793 15.374 -28.896 1.00 12.22 H new ATOM 0 HB THR A 16 -9.258 16.687 -30.551 1.00 2.52 H new ATOM 0 HG1 THR A 16 -9.676 18.993 -30.448 1.00 74.14 H new ATOM 0 HG21 THR A 16 -11.222 17.654 -31.686 1.00 74.33 H new ATOM 0 HG22 THR A 16 -11.560 16.022 -31.060 1.00 74.33 H new ATOM 0 HG23 THR A 16 -12.176 17.452 -30.198 1.00 74.33 H new ATOM 240 N ARG A 17 -8.692 15.696 -26.875 1.00 51.35 N ATOM 241 CA ARG A 17 -7.417 15.311 -26.283 1.00 33.44 C ATOM 242 C ARG A 17 -6.850 14.073 -26.971 1.00 62.22 C ATOM 243 O ARG A 17 -7.580 13.314 -27.609 1.00 13.31 O ATOM 244 CB ARG A 17 -7.587 15.042 -24.786 1.00 51.01 C ATOM 245 CG ARG A 17 -6.441 15.569 -23.939 1.00 3.42 C ATOM 246 CD ARG A 17 -6.796 15.571 -22.460 1.00 64.31 C ATOM 247 NE ARG A 17 -5.610 15.670 -21.613 1.00 32.42 N ATOM 248 CZ ARG A 17 -4.961 16.806 -21.387 1.00 10.31 C ATOM 249 NH1 ARG A 17 -5.381 17.935 -21.942 1.00 64.22 N ATOM 250 NH2 ARG A 17 -3.890 16.816 -20.604 1.00 30.33 N ATOM 0 H ARG A 17 -9.450 15.819 -26.203 1.00 51.35 H new ATOM 0 HA ARG A 17 -6.717 16.135 -26.421 1.00 33.44 H new ATOM 0 HB2 ARG A 17 -8.518 15.497 -24.447 1.00 51.01 H new ATOM 0 HB3 ARG A 17 -7.681 13.968 -24.627 1.00 51.01 H new ATOM 0 HG2 ARG A 17 -5.555 14.955 -24.101 1.00 3.42 H new ATOM 0 HG3 ARG A 17 -6.189 16.581 -24.255 1.00 3.42 H new ATOM 0 HD2 ARG A 17 -7.463 16.406 -22.248 1.00 64.31 H new ATOM 0 HD3 ARG A 17 -7.340 14.659 -22.217 1.00 64.31 H new ATOM 0 HE ARG A 17 -5.261 14.820 -21.171 1.00 32.42 H new ATOM 0 HH11 ARG A 17 -6.204 17.932 -22.544 1.00 64.22 H new ATOM 0 HH12 ARG A 17 -4.881 18.806 -21.767 1.00 64.22 H new ATOM 0 HH21 ARG A 17 -3.564 15.950 -20.175 1.00 30.33 H new ATOM 0 HH22 ARG A 17 -3.393 17.690 -20.431 1.00 30.33 H new ATOM 264 N VAL A 18 -5.542 13.875 -26.838 1.00 40.22 N ATOM 265 CA VAL A 18 -4.876 12.730 -27.447 1.00 31.33 C ATOM 266 C VAL A 18 -3.754 12.209 -26.556 1.00 11.05 C ATOM 267 O VAL A 18 -2.712 12.850 -26.412 1.00 13.34 O ATOM 268 CB VAL A 18 -4.296 13.086 -28.828 1.00 50.42 C ATOM 269 CG1 VAL A 18 -3.580 11.888 -29.433 1.00 12.14 C ATOM 270 CG2 VAL A 18 -5.395 13.584 -29.755 1.00 10.44 C ATOM 0 H VAL A 18 -4.923 14.493 -26.314 1.00 40.22 H new ATOM 0 HA VAL A 18 -5.631 11.953 -27.568 1.00 31.33 H new ATOM 0 HB VAL A 18 -3.568 13.887 -28.701 1.00 50.42 H new ATOM 0 HG11 VAL A 18 -3.177 12.160 -30.409 1.00 12.14 H new ATOM 0 HG12 VAL A 18 -2.766 11.581 -28.777 1.00 12.14 H new ATOM 0 HG13 VAL A 18 -4.284 11.063 -29.548 1.00 12.14 H new ATOM 0 HG21 VAL A 18 -4.967 13.831 -30.727 1.00 10.44 H new ATOM 0 HG22 VAL A 18 -6.148 12.806 -29.877 1.00 10.44 H new ATOM 0 HG23 VAL A 18 -5.858 14.473 -29.326 1.00 10.44 H new ATOM 280 N LEU A 19 -3.973 11.042 -25.959 1.00 40.42 N ATOM 281 CA LEU A 19 -2.980 10.434 -25.081 1.00 65.43 C ATOM 282 C LEU A 19 -1.696 10.122 -25.845 1.00 12.04 C ATOM 283 O LEU A 19 -1.735 9.587 -26.954 1.00 0.44 O ATOM 284 CB LEU A 19 -3.538 9.154 -24.456 1.00 72.04 C ATOM 285 CG LEU A 19 -2.683 8.512 -23.363 1.00 50.04 C ATOM 286 CD1 LEU A 19 -3.542 8.131 -22.168 1.00 14.42 C ATOM 287 CD2 LEU A 19 -1.951 7.293 -23.906 1.00 1.21 C ATOM 0 H LEU A 19 -4.829 10.498 -26.067 1.00 40.42 H new ATOM 0 HA LEU A 19 -2.747 11.146 -24.289 1.00 65.43 H new ATOM 0 HB2 LEU A 19 -4.520 9.376 -24.038 1.00 72.04 H new ATOM 0 HB3 LEU A 19 -3.688 8.422 -25.249 1.00 72.04 H new ATOM 0 HG LEU A 19 -1.942 9.240 -23.034 1.00 50.04 H new ATOM 0 HD11 LEU A 19 -2.916 7.676 -21.400 1.00 14.42 H new ATOM 0 HD12 LEU A 19 -4.020 9.024 -21.764 1.00 14.42 H new ATOM 0 HD13 LEU A 19 -4.307 7.420 -22.481 1.00 14.42 H new ATOM 0 HD21 LEU A 19 -1.347 6.849 -23.115 1.00 1.21 H new ATOM 0 HD22 LEU A 19 -2.677 6.562 -24.263 1.00 1.21 H new ATOM 0 HD23 LEU A 19 -1.304 7.594 -24.730 1.00 1.21 H new ATOM 299 N LEU A 20 -0.560 10.458 -25.243 1.00 72.34 N ATOM 300 CA LEU A 20 0.736 10.212 -25.865 1.00 63.23 C ATOM 301 C LEU A 20 1.179 8.768 -25.649 1.00 52.13 C ATOM 302 O LEU A 20 1.311 8.000 -26.602 1.00 12.13 O ATOM 303 CB LEU A 20 1.786 11.169 -25.298 1.00 52.21 C ATOM 304 CG LEU A 20 1.488 12.661 -25.454 1.00 73.21 C ATOM 305 CD1 LEU A 20 2.537 13.493 -24.734 1.00 11.14 C ATOM 306 CD2 LEU A 20 1.422 13.040 -26.926 1.00 52.53 C ATOM 0 H LEU A 20 -0.510 10.901 -24.326 1.00 72.34 H new ATOM 0 HA LEU A 20 0.635 10.386 -26.936 1.00 63.23 H new ATOM 0 HB2 LEU A 20 1.910 10.953 -24.237 1.00 52.21 H new ATOM 0 HB3 LEU A 20 2.740 10.957 -25.781 1.00 52.21 H new ATOM 0 HG LEU A 20 0.518 12.868 -25.002 1.00 73.21 H new ATOM 0 HD11 LEU A 20 2.308 14.552 -24.856 1.00 11.14 H new ATOM 0 HD12 LEU A 20 2.536 13.241 -23.673 1.00 11.14 H new ATOM 0 HD13 LEU A 20 3.520 13.283 -25.156 1.00 11.14 H new ATOM 0 HD21 LEU A 20 1.209 14.105 -27.018 1.00 52.53 H new ATOM 0 HD22 LEU A 20 2.377 12.818 -27.402 1.00 52.53 H new ATOM 0 HD23 LEU A 20 0.632 12.469 -27.414 1.00 52.53 H new ATOM 318 N MET A 21 1.404 8.406 -24.391 1.00 23.24 N ATOM 319 CA MET A 21 1.828 7.053 -24.050 1.00 25.14 C ATOM 320 C MET A 21 1.996 6.900 -22.541 1.00 61.32 C ATOM 321 O MET A 21 2.179 7.884 -21.824 1.00 62.22 O ATOM 322 CB MET A 21 3.142 6.713 -24.757 1.00 54.54 C ATOM 323 CG MET A 21 3.094 5.406 -25.532 1.00 3.32 C ATOM 324 SD MET A 21 4.290 4.198 -24.929 1.00 53.41 S ATOM 325 CE MET A 21 4.358 3.068 -26.317 1.00 12.01 C ATOM 0 H MET A 21 1.300 9.030 -23.591 1.00 23.24 H new ATOM 0 HA MET A 21 1.054 6.362 -24.384 1.00 25.14 H new ATOM 0 HB2 MET A 21 3.397 7.522 -25.441 1.00 54.54 H new ATOM 0 HB3 MET A 21 3.940 6.658 -24.017 1.00 54.54 H new ATOM 0 HG2 MET A 21 2.091 4.984 -25.464 1.00 3.32 H new ATOM 0 HG3 MET A 21 3.285 5.606 -26.586 1.00 3.32 H new ATOM 0 HE1 MET A 21 5.058 2.262 -26.096 1.00 12.01 H new ATOM 0 HE2 MET A 21 3.367 2.650 -26.494 1.00 12.01 H new ATOM 0 HE3 MET A 21 4.690 3.604 -27.206 1.00 12.01 H new ATOM 335 N TYR A 22 1.932 5.661 -22.066 1.00 71.12 N ATOM 336 CA TYR A 22 2.074 5.380 -20.643 1.00 31.24 C ATOM 337 C TYR A 22 3.541 5.192 -20.268 1.00 11.31 C ATOM 338 O TYR A 22 4.301 4.547 -20.990 1.00 73.20 O ATOM 339 CB TYR A 22 1.276 4.130 -20.266 1.00 0.30 C ATOM 340 CG TYR A 22 -0.222 4.327 -20.327 1.00 41.02 C ATOM 341 CD1 TYR A 22 -0.918 4.143 -21.515 1.00 53.15 C ATOM 342 CD2 TYR A 22 -0.941 4.698 -19.198 1.00 24.35 C ATOM 343 CE1 TYR A 22 -2.287 4.322 -21.577 1.00 3.35 C ATOM 344 CE2 TYR A 22 -2.309 4.878 -19.249 1.00 32.31 C ATOM 345 CZ TYR A 22 -2.978 4.689 -20.441 1.00 3.15 C ATOM 346 OH TYR A 22 -4.341 4.869 -20.496 1.00 61.12 O ATOM 0 H TYR A 22 1.783 4.835 -22.646 1.00 71.12 H new ATOM 0 HA TYR A 22 1.683 6.234 -20.090 1.00 31.24 H new ATOM 0 HB2 TYR A 22 1.555 3.316 -20.935 1.00 0.30 H new ATOM 0 HB3 TYR A 22 1.553 3.823 -19.258 1.00 0.30 H new ATOM 0 HD1 TYR A 22 -0.380 3.855 -22.406 1.00 53.15 H new ATOM 0 HD2 TYR A 22 -0.421 4.848 -18.264 1.00 24.35 H new ATOM 0 HE1 TYR A 22 -2.812 4.175 -22.509 1.00 3.35 H new ATOM 0 HE2 TYR A 22 -2.852 5.165 -18.361 1.00 32.31 H new ATOM 0 HH TYR A 22 -4.673 5.125 -19.610 1.00 61.12 H new ATOM 356 N VAL A 23 3.932 5.761 -19.132 1.00 42.51 N ATOM 357 CA VAL A 23 5.307 5.657 -18.659 1.00 21.34 C ATOM 358 C VAL A 23 5.368 4.987 -17.290 1.00 74.24 C ATOM 359 O VAL A 23 5.006 5.587 -16.278 1.00 24.32 O ATOM 360 CB VAL A 23 5.977 7.041 -18.570 1.00 64.45 C ATOM 361 CG1 VAL A 23 7.411 6.909 -18.079 1.00 40.42 C ATOM 362 CG2 VAL A 23 5.929 7.742 -19.919 1.00 45.14 C ATOM 0 H VAL A 23 3.316 6.299 -18.522 1.00 42.51 H new ATOM 0 HA VAL A 23 5.845 5.047 -19.384 1.00 21.34 H new ATOM 0 HB VAL A 23 5.427 7.647 -17.851 1.00 64.45 H new ATOM 0 HG11 VAL A 23 7.869 7.897 -18.022 1.00 40.42 H new ATOM 0 HG12 VAL A 23 7.416 6.449 -17.091 1.00 40.42 H new ATOM 0 HG13 VAL A 23 7.977 6.286 -18.772 1.00 40.42 H new ATOM 0 HG21 VAL A 23 6.407 8.719 -19.839 1.00 45.14 H new ATOM 0 HG22 VAL A 23 6.455 7.141 -20.660 1.00 45.14 H new ATOM 0 HG23 VAL A 23 4.891 7.870 -20.226 1.00 45.14 H new ATOM 372 N ARG A 24 5.827 3.740 -17.268 1.00 20.01 N ATOM 373 CA ARG A 24 5.934 2.988 -16.024 1.00 24.43 C ATOM 374 C ARG A 24 7.019 3.575 -15.125 1.00 61.33 C ATOM 375 O ARG A 24 8.106 3.918 -15.591 1.00 61.52 O ATOM 376 CB ARG A 24 6.240 1.518 -16.317 1.00 21.44 C ATOM 377 CG ARG A 24 6.060 0.607 -15.113 1.00 61.43 C ATOM 378 CD ARG A 24 6.842 -0.688 -15.273 1.00 12.03 C ATOM 379 NE ARG A 24 6.041 -1.858 -14.922 1.00 53.33 N ATOM 380 CZ ARG A 24 6.556 -3.062 -14.701 1.00 0.24 C ATOM 381 NH1 ARG A 24 7.865 -3.253 -14.792 1.00 72.51 N ATOM 382 NH2 ARG A 24 5.762 -4.077 -14.386 1.00 72.21 N ATOM 0 H ARG A 24 6.131 3.229 -18.097 1.00 20.01 H new ATOM 0 HA ARG A 24 4.979 3.057 -15.504 1.00 24.43 H new ATOM 0 HB2 ARG A 24 5.591 1.174 -17.123 1.00 21.44 H new ATOM 0 HB3 ARG A 24 7.266 1.434 -16.676 1.00 21.44 H new ATOM 0 HG2 ARG A 24 6.390 1.124 -14.212 1.00 61.43 H new ATOM 0 HG3 ARG A 24 5.002 0.381 -14.981 1.00 61.43 H new ATOM 0 HD2 ARG A 24 7.185 -0.779 -16.304 1.00 12.03 H new ATOM 0 HD3 ARG A 24 7.731 -0.655 -14.643 1.00 12.03 H new ATOM 0 HE ARG A 24 5.031 -1.744 -14.842 1.00 53.33 H new ATOM 0 HH11 ARG A 24 8.479 -2.474 -15.032 1.00 72.51 H new ATOM 0 HH12 ARG A 24 8.258 -4.179 -14.622 1.00 72.51 H new ATOM 0 HH21 ARG A 24 4.755 -3.933 -14.313 1.00 72.21 H new ATOM 0 HH22 ARG A 24 6.159 -5.001 -14.217 1.00 72.21 H new ATOM 396 N ILE A 25 6.716 3.688 -13.837 1.00 35.33 N ATOM 397 CA ILE A 25 7.664 4.232 -12.874 1.00 5.52 C ATOM 398 C ILE A 25 8.691 3.184 -12.460 1.00 62.31 C ATOM 399 O ILE A 25 8.828 2.866 -11.280 1.00 22.44 O ATOM 400 CB ILE A 25 6.950 4.759 -11.615 1.00 52.33 C ATOM 401 CG1 ILE A 25 5.744 5.616 -12.008 1.00 22.22 C ATOM 402 CG2 ILE A 25 7.916 5.558 -10.753 1.00 53.20 C ATOM 403 CD1 ILE A 25 4.971 6.149 -10.823 1.00 15.44 C ATOM 0 H ILE A 25 5.820 3.410 -13.436 1.00 35.33 H new ATOM 0 HA ILE A 25 8.172 5.061 -13.367 1.00 5.52 H new ATOM 0 HB ILE A 25 6.594 3.908 -11.034 1.00 52.33 H new ATOM 0 HG12 ILE A 25 6.086 6.454 -12.615 1.00 22.22 H new ATOM 0 HG13 ILE A 25 5.075 5.023 -12.631 1.00 22.22 H new ATOM 0 HG21 ILE A 25 7.396 5.924 -9.867 1.00 53.20 H new ATOM 0 HG22 ILE A 25 8.746 4.920 -10.449 1.00 53.20 H new ATOM 0 HG23 ILE A 25 8.299 6.404 -11.324 1.00 53.20 H new ATOM 0 HD11 ILE A 25 4.131 6.747 -11.176 1.00 15.44 H new ATOM 0 HD12 ILE A 25 4.598 5.316 -10.227 1.00 15.44 H new ATOM 0 HD13 ILE A 25 5.626 6.769 -10.211 1.00 15.44 H new ATOM 415 N GLY A 26 9.413 2.650 -13.441 1.00 51.33 N ATOM 416 CA GLY A 26 10.420 1.644 -13.159 1.00 53.01 C ATOM 417 C GLY A 26 11.771 1.994 -13.751 1.00 73.41 C ATOM 418 O GLY A 26 12.811 1.675 -13.175 1.00 24.20 O ATOM 0 H GLY A 26 9.318 2.897 -14.426 1.00 51.33 H new ATOM 0 HA2 GLY A 26 10.519 1.526 -12.080 1.00 53.01 H new ATOM 0 HA3 GLY A 26 10.091 0.684 -13.556 1.00 53.01 H new ATOM 422 N THR A 27 11.757 2.650 -14.907 1.00 54.01 N ATOM 423 CA THR A 27 12.989 3.041 -15.579 1.00 64.53 C ATOM 424 C THR A 27 12.806 4.343 -16.350 1.00 64.35 C ATOM 425 O THR A 27 11.697 4.869 -16.447 1.00 3.31 O ATOM 426 CB THR A 27 13.471 1.946 -16.550 1.00 21.31 C ATOM 427 OG1 THR A 27 14.784 2.259 -17.029 1.00 32.31 O ATOM 428 CG2 THR A 27 12.516 1.807 -17.726 1.00 64.01 C ATOM 0 H THR A 27 10.905 2.922 -15.397 1.00 54.01 H new ATOM 0 HA THR A 27 13.740 3.185 -14.803 1.00 64.53 H new ATOM 0 HB THR A 27 13.498 0.999 -16.011 1.00 21.31 H new ATOM 0 HG1 THR A 27 15.084 1.557 -17.644 1.00 32.31 H new ATOM 0 HG21 THR A 27 12.877 1.028 -18.398 1.00 64.01 H new ATOM 0 HG22 THR A 27 11.525 1.540 -17.360 1.00 64.01 H new ATOM 0 HG23 THR A 27 12.461 2.753 -18.264 1.00 64.01 H new ATOM 436 N THR A 28 13.902 4.859 -16.900 1.00 34.21 N ATOM 437 CA THR A 28 13.862 6.100 -17.663 1.00 11.05 C ATOM 438 C THR A 28 13.765 5.823 -19.158 1.00 44.45 C ATOM 439 O THR A 28 14.594 5.109 -19.722 1.00 31.33 O ATOM 440 CB THR A 28 15.107 6.966 -17.391 1.00 54.04 C ATOM 441 OG1 THR A 28 16.270 6.136 -17.296 1.00 15.01 O ATOM 442 CG2 THR A 28 14.941 7.765 -16.108 1.00 13.05 C ATOM 0 H THR A 28 14.828 4.436 -16.831 1.00 34.21 H new ATOM 0 HA THR A 28 12.974 6.642 -17.339 1.00 11.05 H new ATOM 0 HB THR A 28 15.226 7.663 -18.221 1.00 54.04 H new ATOM 0 HG1 THR A 28 17.057 6.694 -17.125 1.00 15.01 H new ATOM 0 HG21 THR A 28 15.833 8.368 -15.937 1.00 13.05 H new ATOM 0 HG22 THR A 28 14.072 8.418 -16.196 1.00 13.05 H new ATOM 0 HG23 THR A 28 14.799 7.082 -15.270 1.00 13.05 H new ATOM 450 N ALA A 29 12.749 6.394 -19.797 1.00 3.51 N ATOM 451 CA ALA A 29 12.547 6.211 -21.229 1.00 14.24 C ATOM 452 C ALA A 29 12.261 7.541 -21.917 1.00 44.44 C ATOM 453 O ALA A 29 12.124 8.575 -21.263 1.00 13.25 O ATOM 454 CB ALA A 29 11.411 5.230 -21.480 1.00 13.44 C ATOM 0 H ALA A 29 12.053 6.987 -19.345 1.00 3.51 H new ATOM 0 HA ALA A 29 13.465 5.803 -21.652 1.00 14.24 H new ATOM 0 HB1 ALA A 29 11.271 5.103 -22.553 1.00 13.44 H new ATOM 0 HB2 ALA A 29 11.655 4.268 -21.029 1.00 13.44 H new ATOM 0 HB3 ALA A 29 10.493 5.616 -21.037 1.00 13.44 H new ATOM 460 N THR A 30 12.174 7.509 -23.244 1.00 5.23 N ATOM 461 CA THR A 30 11.908 8.712 -24.022 1.00 13.55 C ATOM 462 C THR A 30 10.603 8.586 -24.799 1.00 54.42 C ATOM 463 O THR A 30 10.233 7.497 -25.238 1.00 25.54 O ATOM 464 CB THR A 30 13.053 9.009 -25.008 1.00 1.43 C ATOM 465 OG1 THR A 30 14.301 9.066 -24.307 1.00 15.10 O ATOM 466 CG2 THR A 30 12.814 10.324 -25.735 1.00 31.10 C ATOM 0 H THR A 30 12.284 6.662 -23.802 1.00 5.23 H new ATOM 0 HA THR A 30 11.828 9.536 -23.313 1.00 13.55 H new ATOM 0 HB THR A 30 13.086 8.206 -25.744 1.00 1.43 H new ATOM 0 HG1 THR A 30 15.024 9.254 -24.941 1.00 15.10 H new ATOM 0 HG21 THR A 30 13.636 10.512 -26.426 1.00 31.10 H new ATOM 0 HG22 THR A 30 11.878 10.267 -26.291 1.00 31.10 H new ATOM 0 HG23 THR A 30 12.757 11.136 -25.010 1.00 31.10 H new ATOM 474 N ILE A 31 9.909 9.707 -24.967 1.00 51.03 N ATOM 475 CA ILE A 31 8.646 9.721 -25.694 1.00 54.03 C ATOM 476 C ILE A 31 8.767 10.512 -26.992 1.00 51.31 C ATOM 477 O ILE A 31 9.500 11.499 -27.065 1.00 42.12 O ATOM 478 CB ILE A 31 7.513 10.324 -24.843 1.00 33.23 C ATOM 479 CG1 ILE A 31 7.404 9.589 -23.505 1.00 64.00 C ATOM 480 CG2 ILE A 31 6.193 10.261 -25.596 1.00 74.23 C ATOM 481 CD1 ILE A 31 6.481 10.266 -22.516 1.00 43.45 C ATOM 0 H ILE A 31 10.200 10.617 -24.610 1.00 51.03 H new ATOM 0 HA ILE A 31 8.404 8.684 -25.925 1.00 54.03 H new ATOM 0 HB ILE A 31 7.746 11.370 -24.644 1.00 33.23 H new ATOM 0 HG12 ILE A 31 7.049 8.574 -23.685 1.00 64.00 H new ATOM 0 HG13 ILE A 31 8.397 9.505 -23.064 1.00 64.00 H new ATOM 0 HG21 ILE A 31 5.402 10.691 -24.981 1.00 74.23 H new ATOM 0 HG22 ILE A 31 6.277 10.824 -26.525 1.00 74.23 H new ATOM 0 HG23 ILE A 31 5.952 9.222 -25.822 1.00 74.23 H new ATOM 0 HD11 ILE A 31 6.453 9.690 -21.591 1.00 43.45 H new ATOM 0 HD12 ILE A 31 6.847 11.271 -22.306 1.00 43.45 H new ATOM 0 HD13 ILE A 31 5.477 10.326 -22.937 1.00 43.45 H new ATOM 493 N THR A 32 8.041 10.074 -28.016 1.00 41.02 N ATOM 494 CA THR A 32 8.066 10.741 -29.312 1.00 3.02 C ATOM 495 C THR A 32 6.765 11.492 -29.569 1.00 11.11 C ATOM 496 O THR A 32 5.686 10.900 -29.574 1.00 62.11 O ATOM 497 CB THR A 32 8.301 9.737 -30.456 1.00 60.01 C ATOM 498 OG1 THR A 32 9.414 8.891 -30.145 1.00 34.11 O ATOM 499 CG2 THR A 32 8.560 10.462 -31.768 1.00 4.42 C ATOM 0 H THR A 32 7.428 9.260 -27.973 1.00 41.02 H new ATOM 0 HA THR A 32 8.893 11.451 -29.286 1.00 3.02 H new ATOM 0 HB THR A 32 7.403 9.129 -30.566 1.00 60.01 H new ATOM 0 HG1 THR A 32 9.556 8.255 -30.877 1.00 34.11 H new ATOM 0 HG21 THR A 32 8.723 9.732 -32.561 1.00 4.42 H new ATOM 0 HG22 THR A 32 7.699 11.082 -32.017 1.00 4.42 H new ATOM 0 HG23 THR A 32 9.444 11.092 -31.667 1.00 4.42 H new ATOM 507 N ALA A 33 6.874 12.799 -29.783 1.00 12.23 N ATOM 508 CA ALA A 33 5.705 13.631 -30.043 1.00 63.44 C ATOM 509 C ALA A 33 6.071 14.839 -30.899 1.00 70.20 C ATOM 510 O ALA A 33 7.115 15.460 -30.699 1.00 61.40 O ATOM 511 CB ALA A 33 5.075 14.080 -28.734 1.00 13.32 C ATOM 0 H ALA A 33 7.760 13.305 -29.781 1.00 12.23 H new ATOM 0 HA ALA A 33 4.980 13.034 -30.595 1.00 63.44 H new ATOM 0 HB1 ALA A 33 4.204 14.700 -28.944 1.00 13.32 H new ATOM 0 HB2 ALA A 33 4.769 13.206 -28.159 1.00 13.32 H new ATOM 0 HB3 ALA A 33 5.801 14.656 -28.160 1.00 13.32 H new ATOM 517 N ARG A 34 5.205 15.166 -31.853 1.00 5.31 N ATOM 518 CA ARG A 34 5.439 16.299 -32.740 1.00 50.22 C ATOM 519 C ARG A 34 6.813 16.202 -33.397 1.00 20.44 C ATOM 520 O ARG A 34 7.535 17.192 -33.499 1.00 41.32 O ATOM 521 CB ARG A 34 5.324 17.613 -31.965 1.00 44.34 C ATOM 522 CG ARG A 34 3.979 17.804 -31.285 1.00 32.55 C ATOM 523 CD ARG A 34 3.548 19.262 -31.300 1.00 31.21 C ATOM 524 NE ARG A 34 3.019 19.663 -32.601 1.00 22.41 N ATOM 525 CZ ARG A 34 1.816 19.315 -33.044 1.00 42.11 C ATOM 526 NH1 ARG A 34 1.021 18.564 -32.294 1.00 42.42 N ATOM 527 NH2 ARG A 34 1.406 19.719 -34.240 1.00 11.25 N ATOM 0 H ARG A 34 4.336 14.663 -32.031 1.00 5.31 H new ATOM 0 HA ARG A 34 4.680 16.278 -33.522 1.00 50.22 H new ATOM 0 HB2 ARG A 34 6.111 17.651 -31.212 1.00 44.34 H new ATOM 0 HB3 ARG A 34 5.497 18.444 -32.648 1.00 44.34 H new ATOM 0 HG2 ARG A 34 3.227 17.196 -31.788 1.00 32.55 H new ATOM 0 HG3 ARG A 34 4.038 17.452 -30.255 1.00 32.55 H new ATOM 0 HD2 ARG A 34 2.789 19.423 -30.535 1.00 31.21 H new ATOM 0 HD3 ARG A 34 4.398 19.894 -31.044 1.00 31.21 H new ATOM 0 HE ARG A 34 3.605 20.242 -33.202 1.00 22.41 H new ATOM 0 HH11 ARG A 34 1.333 18.252 -31.374 1.00 42.42 H new ATOM 0 HH12 ARG A 34 0.098 18.298 -32.637 1.00 42.42 H new ATOM 0 HH21 ARG A 34 2.015 20.297 -34.819 1.00 11.25 H new ATOM 0 HH22 ARG A 34 0.482 19.451 -34.580 1.00 11.25 H new ATOM 541 N GLY A 35 7.168 14.999 -33.839 1.00 72.12 N ATOM 542 CA GLY A 35 8.454 14.794 -34.479 1.00 60.22 C ATOM 543 C GLY A 35 9.615 15.165 -33.579 1.00 25.55 C ATOM 544 O GLY A 35 10.727 15.404 -34.053 1.00 34.34 O ATOM 0 H GLY A 35 6.588 14.163 -33.765 1.00 72.12 H new ATOM 0 HA2 GLY A 35 8.547 13.749 -34.774 1.00 60.22 H new ATOM 0 HA3 GLY A 35 8.501 15.389 -35.391 1.00 60.22 H new ATOM 548 N HIS A 36 9.359 15.214 -32.275 1.00 42.41 N ATOM 549 CA HIS A 36 10.393 15.560 -31.305 1.00 55.25 C ATOM 550 C HIS A 36 10.553 14.456 -30.265 1.00 72.32 C ATOM 551 O HIS A 36 9.667 13.619 -30.094 1.00 40.00 O ATOM 552 CB HIS A 36 10.052 16.881 -30.615 1.00 44.43 C ATOM 553 CG HIS A 36 11.250 17.737 -30.336 1.00 34.34 C ATOM 554 ND1 HIS A 36 11.986 17.644 -29.174 1.00 20.25 N ATOM 555 CD2 HIS A 36 11.839 18.704 -31.076 1.00 50.24 C ATOM 556 CE1 HIS A 36 12.975 18.518 -29.211 1.00 4.43 C ATOM 557 NE2 HIS A 36 12.909 19.174 -30.355 1.00 51.32 N ATOM 0 H HIS A 36 8.445 15.019 -31.866 1.00 42.41 H new ATOM 0 HA HIS A 36 11.336 15.671 -31.840 1.00 55.25 H new ATOM 0 HB2 HIS A 36 9.355 17.439 -31.240 1.00 44.43 H new ATOM 0 HB3 HIS A 36 9.540 16.670 -29.676 1.00 44.43 H new ATOM 0 HD2 HIS A 36 11.526 19.043 -32.052 1.00 50.24 H new ATOM 0 HE1 HIS A 36 13.713 18.670 -28.437 1.00 4.43 H new ATOM 0 HE2 HIS A 36 13.549 19.910 -30.654 1.00 51.32 H new ATOM 565 N GLU A 37 11.689 14.460 -29.574 1.00 53.24 N ATOM 566 CA GLU A 37 11.964 13.457 -28.553 1.00 4.25 C ATOM 567 C GLU A 37 11.997 14.090 -27.164 1.00 62.32 C ATOM 568 O GLU A 37 12.740 15.041 -26.921 1.00 12.14 O ATOM 569 CB GLU A 37 13.295 12.758 -28.838 1.00 43.32 C ATOM 570 CG GLU A 37 14.443 13.719 -29.100 1.00 23.25 C ATOM 571 CD GLU A 37 15.782 13.014 -29.202 1.00 31.22 C ATOM 572 OE1 GLU A 37 15.822 11.893 -29.750 1.00 65.14 O ATOM 573 OE2 GLU A 37 16.789 13.584 -28.733 1.00 3.11 O ATOM 0 H GLU A 37 12.433 15.146 -29.703 1.00 53.24 H new ATOM 0 HA GLU A 37 11.162 12.720 -28.579 1.00 4.25 H new ATOM 0 HB2 GLU A 37 13.551 12.122 -27.990 1.00 43.32 H new ATOM 0 HB3 GLU A 37 13.175 12.104 -29.702 1.00 43.32 H new ATOM 0 HG2 GLU A 37 14.252 14.264 -30.025 1.00 23.25 H new ATOM 0 HG3 GLU A 37 14.485 14.456 -28.298 1.00 23.25 H new ATOM 580 N PHE A 38 11.187 13.555 -26.257 1.00 75.43 N ATOM 581 CA PHE A 38 11.121 14.067 -24.894 1.00 32.24 C ATOM 582 C PHE A 38 11.515 12.989 -23.888 1.00 62.11 C ATOM 583 O PHE A 38 10.795 12.010 -23.699 1.00 32.53 O ATOM 584 CB PHE A 38 9.712 14.577 -24.585 1.00 75.31 C ATOM 585 CG PHE A 38 9.182 15.534 -25.614 1.00 74.44 C ATOM 586 CD1 PHE A 38 9.956 16.593 -26.058 1.00 50.41 C ATOM 587 CD2 PHE A 38 7.909 15.373 -26.138 1.00 13.50 C ATOM 588 CE1 PHE A 38 9.471 17.476 -27.006 1.00 25.45 C ATOM 589 CE2 PHE A 38 7.419 16.252 -27.086 1.00 1.12 C ATOM 590 CZ PHE A 38 8.201 17.305 -27.519 1.00 51.12 C ATOM 0 H PHE A 38 10.567 12.767 -26.442 1.00 75.43 H new ATOM 0 HA PHE A 38 11.826 14.894 -24.809 1.00 32.24 H new ATOM 0 HB2 PHE A 38 9.035 13.726 -24.509 1.00 75.31 H new ATOM 0 HB3 PHE A 38 9.717 15.068 -23.612 1.00 75.31 H new ATOM 0 HD1 PHE A 38 10.950 16.731 -25.659 1.00 50.41 H new ATOM 0 HD2 PHE A 38 7.293 14.552 -25.802 1.00 13.50 H new ATOM 0 HE1 PHE A 38 10.085 18.298 -27.344 1.00 25.45 H new ATOM 0 HE2 PHE A 38 6.426 16.115 -27.488 1.00 1.12 H new ATOM 0 HZ PHE A 38 7.819 17.994 -28.258 1.00 51.12 H new ATOM 600 N GLU A 39 12.665 13.178 -23.247 1.00 74.23 N ATOM 601 CA GLU A 39 13.156 12.221 -22.263 1.00 35.05 C ATOM 602 C GLU A 39 12.786 12.658 -20.848 1.00 1.20 C ATOM 603 O GLU A 39 13.386 13.580 -20.294 1.00 61.42 O ATOM 604 CB GLU A 39 14.673 12.067 -22.381 1.00 3.34 C ATOM 605 CG GLU A 39 15.188 10.720 -21.903 1.00 34.23 C ATOM 606 CD GLU A 39 16.534 10.363 -22.502 1.00 41.31 C ATOM 607 OE1 GLU A 39 17.460 11.197 -22.420 1.00 23.44 O ATOM 608 OE2 GLU A 39 16.661 9.250 -23.054 1.00 22.14 O ATOM 0 H GLU A 39 13.273 13.984 -23.392 1.00 74.23 H new ATOM 0 HA GLU A 39 12.684 11.259 -22.463 1.00 35.05 H new ATOM 0 HB2 GLU A 39 14.964 12.209 -23.422 1.00 3.34 H new ATOM 0 HB3 GLU A 39 15.156 12.856 -21.804 1.00 3.34 H new ATOM 0 HG2 GLU A 39 15.270 10.732 -20.816 1.00 34.23 H new ATOM 0 HG3 GLU A 39 14.464 9.947 -22.160 1.00 34.23 H new ATOM 615 N VAL A 40 11.793 11.990 -20.269 1.00 3.43 N ATOM 616 CA VAL A 40 11.343 12.309 -18.919 1.00 22.41 C ATOM 617 C VAL A 40 11.873 11.296 -17.910 1.00 4.21 C ATOM 618 O VAL A 40 12.513 10.313 -18.281 1.00 32.41 O ATOM 619 CB VAL A 40 9.806 12.345 -18.834 1.00 33.31 C ATOM 620 CG1 VAL A 40 9.238 13.327 -19.846 1.00 53.45 C ATOM 621 CG2 VAL A 40 9.228 10.954 -19.047 1.00 30.44 C ATOM 0 H VAL A 40 11.285 11.225 -20.713 1.00 3.43 H new ATOM 0 HA VAL A 40 11.736 13.297 -18.679 1.00 22.41 H new ATOM 0 HB VAL A 40 9.523 12.683 -17.837 1.00 33.31 H new ATOM 0 HG11 VAL A 40 8.151 13.339 -19.771 1.00 53.45 H new ATOM 0 HG12 VAL A 40 9.626 14.325 -19.642 1.00 53.45 H new ATOM 0 HG13 VAL A 40 9.529 13.023 -20.851 1.00 53.45 H new ATOM 0 HG21 VAL A 40 8.141 10.998 -18.984 1.00 30.44 H new ATOM 0 HG22 VAL A 40 9.519 10.586 -20.031 1.00 30.44 H new ATOM 0 HG23 VAL A 40 9.609 10.280 -18.280 1.00 30.44 H new ATOM 631 N GLU A 41 11.603 11.545 -16.632 1.00 74.33 N ATOM 632 CA GLU A 41 12.053 10.654 -15.569 1.00 43.03 C ATOM 633 C GLU A 41 10.913 10.337 -14.606 1.00 25.44 C ATOM 634 O GLU A 41 10.183 11.229 -14.176 1.00 5.14 O ATOM 635 CB GLU A 41 13.220 11.284 -14.806 1.00 44.03 C ATOM 636 CG GLU A 41 13.818 10.373 -13.748 1.00 22.43 C ATOM 637 CD GLU A 41 15.243 10.750 -13.390 1.00 15.23 C ATOM 638 OE1 GLU A 41 15.548 11.961 -13.366 1.00 60.32 O ATOM 639 OE2 GLU A 41 16.052 9.834 -13.133 1.00 13.13 O ATOM 0 H GLU A 41 11.075 12.356 -16.308 1.00 74.33 H new ATOM 0 HA GLU A 41 12.388 9.723 -16.027 1.00 43.03 H new ATOM 0 HB2 GLU A 41 13.999 11.563 -15.516 1.00 44.03 H new ATOM 0 HB3 GLU A 41 12.878 12.203 -14.331 1.00 44.03 H new ATOM 0 HG2 GLU A 41 13.200 10.410 -12.851 1.00 22.43 H new ATOM 0 HG3 GLU A 41 13.798 9.344 -14.107 1.00 22.43 H new ATOM 646 N ALA A 42 10.767 9.059 -14.272 1.00 25.44 N ATOM 647 CA ALA A 42 9.718 8.623 -13.358 1.00 64.23 C ATOM 648 C ALA A 42 10.300 8.218 -12.008 1.00 35.12 C ATOM 649 O ALA A 42 11.092 7.280 -11.917 1.00 71.10 O ATOM 650 CB ALA A 42 8.936 7.468 -13.966 1.00 11.01 C ATOM 0 H ALA A 42 11.362 8.307 -14.621 1.00 25.44 H new ATOM 0 HA ALA A 42 9.040 9.461 -13.195 1.00 64.23 H new ATOM 0 HB1 ALA A 42 8.156 7.152 -13.273 1.00 11.01 H new ATOM 0 HB2 ALA A 42 8.481 7.790 -14.903 1.00 11.01 H new ATOM 0 HB3 ALA A 42 9.610 6.633 -14.158 1.00 11.01 H new ATOM 656 N LYS A 43 9.902 8.931 -10.960 1.00 14.31 N ATOM 657 CA LYS A 43 10.382 8.647 -9.613 1.00 30.30 C ATOM 658 C LYS A 43 9.236 8.205 -8.709 1.00 12.25 C ATOM 659 O LYS A 43 9.446 7.488 -7.730 1.00 74.22 O ATOM 660 CB LYS A 43 11.066 9.882 -9.022 1.00 33.53 C ATOM 661 CG LYS A 43 12.581 9.847 -9.127 1.00 34.34 C ATOM 662 CD LYS A 43 13.240 10.224 -7.810 1.00 74.44 C ATOM 663 CE LYS A 43 14.497 11.051 -8.033 1.00 75.41 C ATOM 664 NZ LYS A 43 15.693 10.192 -8.256 1.00 11.42 N ATOM 0 H LYS A 43 9.247 9.711 -11.018 1.00 14.31 H new ATOM 0 HA LYS A 43 11.106 7.834 -9.676 1.00 30.30 H new ATOM 0 HB2 LYS A 43 10.695 10.771 -9.532 1.00 33.53 H new ATOM 0 HB3 LYS A 43 10.785 9.976 -7.973 1.00 33.53 H new ATOM 0 HG2 LYS A 43 12.903 8.849 -9.424 1.00 34.34 H new ATOM 0 HG3 LYS A 43 12.908 10.533 -9.908 1.00 34.34 H new ATOM 0 HD2 LYS A 43 12.536 10.788 -7.198 1.00 74.44 H new ATOM 0 HD3 LYS A 43 13.492 9.320 -7.256 1.00 74.44 H new ATOM 0 HE2 LYS A 43 14.354 11.705 -8.893 1.00 75.41 H new ATOM 0 HE3 LYS A 43 14.667 11.694 -7.169 1.00 75.41 H new ATOM 0 HZ1 LYS A 43 16.529 10.793 -8.404 1.00 11.42 H new ATOM 0 HZ2 LYS A 43 15.845 9.586 -7.425 1.00 11.42 H new ATOM 0 HZ3 LYS A 43 15.541 9.597 -9.095 1.00 11.42 H new ATOM 678 N ASP A 44 8.025 8.637 -9.043 1.00 32.05 N ATOM 679 CA ASP A 44 6.845 8.284 -8.262 1.00 32.13 C ATOM 680 C ASP A 44 5.589 8.908 -8.862 1.00 41.11 C ATOM 681 O ASP A 44 5.644 9.545 -9.914 1.00 12.35 O ATOM 682 CB ASP A 44 7.012 8.739 -6.811 1.00 60.11 C ATOM 683 CG ASP A 44 7.555 10.150 -6.706 1.00 42.40 C ATOM 684 OD1 ASP A 44 7.121 11.014 -7.497 1.00 15.24 O ATOM 685 OD2 ASP A 44 8.414 10.392 -5.833 1.00 23.53 O ATOM 0 H ASP A 44 7.835 9.232 -9.849 1.00 32.05 H new ATOM 0 HA ASP A 44 6.737 7.200 -8.284 1.00 32.13 H new ATOM 0 HB2 ASP A 44 6.049 8.685 -6.303 1.00 60.11 H new ATOM 0 HB3 ASP A 44 7.684 8.055 -6.294 1.00 60.11 H new ATOM 690 N GLN A 45 4.460 8.719 -8.187 1.00 52.32 N ATOM 691 CA GLN A 45 3.190 9.263 -8.656 1.00 24.43 C ATOM 692 C GLN A 45 3.312 10.754 -8.948 1.00 53.53 C ATOM 693 O GLN A 45 2.628 11.283 -9.824 1.00 71.41 O ATOM 694 CB GLN A 45 2.094 9.022 -7.617 1.00 11.14 C ATOM 695 CG GLN A 45 2.213 9.911 -6.389 1.00 64.12 C ATOM 696 CD GLN A 45 1.667 9.254 -5.137 1.00 74.33 C ATOM 697 OE1 GLN A 45 0.486 9.392 -4.815 1.00 23.23 O ATOM 698 NE2 GLN A 45 2.524 8.533 -4.424 1.00 10.22 N ATOM 0 H GLN A 45 4.398 8.194 -7.315 1.00 52.32 H new ATOM 0 HA GLN A 45 2.923 8.751 -9.581 1.00 24.43 H new ATOM 0 HB2 GLN A 45 1.122 9.187 -8.082 1.00 11.14 H new ATOM 0 HB3 GLN A 45 2.125 7.978 -7.304 1.00 11.14 H new ATOM 0 HG2 GLN A 45 3.260 10.169 -6.232 1.00 64.12 H new ATOM 0 HG3 GLN A 45 1.678 10.844 -6.568 1.00 64.12 H new ATOM 0 HE21 GLN A 45 3.494 8.446 -4.728 1.00 10.22 H new ATOM 0 HE22 GLN A 45 2.213 8.066 -3.572 1.00 10.22 H new ATOM 707 N ASN A 46 4.186 11.428 -8.209 1.00 5.44 N ATOM 708 CA ASN A 46 4.397 12.860 -8.388 1.00 54.34 C ATOM 709 C ASN A 46 5.294 13.132 -9.592 1.00 21.51 C ATOM 710 O ASN A 46 6.502 13.323 -9.449 1.00 62.40 O ATOM 711 CB ASN A 46 5.017 13.468 -7.128 1.00 54.05 C ATOM 712 CG ASN A 46 5.370 14.932 -7.307 1.00 23.15 C ATOM 713 OD1 ASN A 46 4.530 15.742 -7.700 1.00 24.53 O ATOM 714 ND2 ASN A 46 6.619 15.278 -7.017 1.00 43.02 N ATOM 0 H ASN A 46 4.760 11.005 -7.480 1.00 5.44 H new ATOM 0 HA ASN A 46 3.427 13.324 -8.568 1.00 54.34 H new ATOM 0 HB2 ASN A 46 4.320 13.364 -6.297 1.00 54.05 H new ATOM 0 HB3 ASN A 46 5.915 12.910 -6.863 1.00 54.05 H new ATOM 0 HD21 ASN A 46 6.916 16.249 -7.117 1.00 43.02 H new ATOM 0 HD22 ASN A 46 7.282 14.573 -6.694 1.00 43.02 H new ATOM 721 N CYS A 47 4.695 13.147 -10.778 1.00 42.50 N ATOM 722 CA CYS A 47 5.439 13.395 -12.007 1.00 54.44 C ATOM 723 C CYS A 47 5.160 14.799 -12.538 1.00 31.21 C ATOM 724 O CYS A 47 4.014 15.247 -12.568 1.00 12.53 O ATOM 725 CB CYS A 47 5.072 12.355 -13.068 1.00 4.30 C ATOM 726 SG CYS A 47 5.804 10.712 -12.782 1.00 23.25 S ATOM 0 H CYS A 47 3.696 12.990 -10.914 1.00 42.50 H new ATOM 0 HA CYS A 47 6.502 13.315 -11.781 1.00 54.44 H new ATOM 0 HB2 CYS A 47 3.987 12.256 -13.105 1.00 4.30 H new ATOM 0 HB3 CYS A 47 5.392 12.719 -14.044 1.00 4.30 H new ATOM 731 N LYS A 48 6.216 15.487 -12.956 1.00 43.55 N ATOM 732 CA LYS A 48 6.088 16.839 -13.488 1.00 14.23 C ATOM 733 C LYS A 48 6.787 16.962 -14.838 1.00 3.25 C ATOM 734 O LYS A 48 7.880 16.429 -15.033 1.00 14.13 O ATOM 735 CB LYS A 48 6.673 17.854 -12.503 1.00 42.14 C ATOM 736 CG LYS A 48 8.191 17.846 -12.453 1.00 2.41 C ATOM 737 CD LYS A 48 8.710 18.489 -11.178 1.00 0.24 C ATOM 738 CE LYS A 48 9.563 17.521 -10.372 1.00 72.23 C ATOM 739 NZ LYS A 48 10.700 18.209 -9.701 1.00 51.20 N ATOM 0 H LYS A 48 7.172 15.131 -12.937 1.00 43.55 H new ATOM 0 HA LYS A 48 5.028 17.048 -13.629 1.00 14.23 H new ATOM 0 HB2 LYS A 48 6.332 18.852 -12.777 1.00 42.14 H new ATOM 0 HB3 LYS A 48 6.284 17.647 -11.506 1.00 42.14 H new ATOM 0 HG2 LYS A 48 8.553 16.820 -12.517 1.00 2.41 H new ATOM 0 HG3 LYS A 48 8.587 18.378 -13.318 1.00 2.41 H new ATOM 0 HD2 LYS A 48 9.298 19.372 -11.428 1.00 0.24 H new ATOM 0 HD3 LYS A 48 7.870 18.827 -10.572 1.00 0.24 H new ATOM 0 HE2 LYS A 48 8.943 17.029 -9.623 1.00 72.23 H new ATOM 0 HE3 LYS A 48 9.948 16.742 -11.030 1.00 72.23 H new ATOM 0 HZ1 LYS A 48 11.257 17.515 -9.162 1.00 51.20 H new ATOM 0 HZ2 LYS A 48 11.306 18.658 -10.417 1.00 51.20 H new ATOM 0 HZ3 LYS A 48 10.333 18.936 -9.054 1.00 51.20 H new ATOM 753 N VAL A 49 6.152 17.670 -15.766 1.00 74.53 N ATOM 754 CA VAL A 49 6.715 17.865 -17.097 1.00 75.21 C ATOM 755 C VAL A 49 8.145 18.385 -17.018 1.00 3.14 C ATOM 756 O VAL A 49 8.373 19.564 -16.745 1.00 4.11 O ATOM 757 CB VAL A 49 5.867 18.848 -17.926 1.00 4.50 C ATOM 758 CG1 VAL A 49 4.589 18.179 -18.407 1.00 64.33 C ATOM 759 CG2 VAL A 49 5.552 20.095 -17.113 1.00 43.35 C ATOM 0 H VAL A 49 5.247 18.118 -15.621 1.00 74.53 H new ATOM 0 HA VAL A 49 6.713 16.892 -17.588 1.00 75.21 H new ATOM 0 HB VAL A 49 6.443 19.148 -18.802 1.00 4.50 H new ATOM 0 HG11 VAL A 49 4.004 18.890 -18.991 1.00 64.33 H new ATOM 0 HG12 VAL A 49 4.840 17.319 -19.028 1.00 64.33 H new ATOM 0 HG13 VAL A 49 4.006 17.848 -17.548 1.00 64.33 H new ATOM 0 HG21 VAL A 49 4.952 20.779 -17.714 1.00 43.35 H new ATOM 0 HG22 VAL A 49 4.996 19.815 -16.218 1.00 43.35 H new ATOM 0 HG23 VAL A 49 6.482 20.585 -16.824 1.00 43.35 H new ATOM 769 N ILE A 50 9.105 17.499 -17.258 1.00 25.31 N ATOM 770 CA ILE A 50 10.515 17.869 -17.215 1.00 54.21 C ATOM 771 C ILE A 50 11.352 16.948 -18.095 1.00 62.15 C ATOM 772 O ILE A 50 11.069 15.755 -18.211 1.00 20.33 O ATOM 773 CB ILE A 50 11.065 17.826 -15.777 1.00 55.32 C ATOM 774 CG1 ILE A 50 12.521 18.294 -15.751 1.00 10.52 C ATOM 775 CG2 ILE A 50 10.944 16.422 -15.205 1.00 75.35 C ATOM 776 CD1 ILE A 50 12.953 18.849 -14.411 1.00 64.43 C ATOM 0 H ILE A 50 8.933 16.519 -17.484 1.00 25.31 H new ATOM 0 HA ILE A 50 10.585 18.890 -17.591 1.00 54.21 H new ATOM 0 HB ILE A 50 10.475 18.501 -15.158 1.00 55.32 H new ATOM 0 HG12 ILE A 50 13.168 17.457 -16.014 1.00 10.52 H new ATOM 0 HG13 ILE A 50 12.662 19.059 -16.515 1.00 10.52 H new ATOM 0 HG21 ILE A 50 11.337 16.408 -14.188 1.00 75.35 H new ATOM 0 HG22 ILE A 50 9.896 16.123 -15.193 1.00 75.35 H new ATOM 0 HG23 ILE A 50 11.512 15.727 -15.823 1.00 75.35 H new ATOM 0 HD11 ILE A 50 13.996 19.161 -14.466 1.00 64.43 H new ATOM 0 HD12 ILE A 50 12.330 19.706 -14.154 1.00 64.43 H new ATOM 0 HD13 ILE A 50 12.844 18.080 -13.646 1.00 64.43 H new ATOM 788 N LEU A 51 12.386 17.508 -18.714 1.00 13.52 N ATOM 789 CA LEU A 51 13.267 16.737 -19.583 1.00 44.11 C ATOM 790 C LEU A 51 14.693 16.727 -19.042 1.00 4.31 C ATOM 791 O LEU A 51 15.098 17.630 -18.309 1.00 14.44 O ATOM 792 CB LEU A 51 13.251 17.314 -21.000 1.00 23.12 C ATOM 793 CG LEU A 51 11.871 17.540 -21.617 1.00 13.32 C ATOM 794 CD1 LEU A 51 11.995 18.238 -22.962 1.00 62.13 C ATOM 795 CD2 LEU A 51 11.130 16.220 -21.765 1.00 73.52 C ATOM 0 H LEU A 51 12.634 18.494 -18.630 1.00 13.52 H new ATOM 0 HA LEU A 51 12.901 15.710 -19.611 1.00 44.11 H new ATOM 0 HB2 LEU A 51 13.782 18.266 -20.989 1.00 23.12 H new ATOM 0 HB3 LEU A 51 13.812 16.643 -21.650 1.00 23.12 H new ATOM 0 HG LEU A 51 11.297 18.183 -20.949 1.00 13.32 H new ATOM 0 HD11 LEU A 51 11.002 18.390 -23.386 1.00 62.13 H new ATOM 0 HD12 LEU A 51 12.484 19.203 -22.828 1.00 62.13 H new ATOM 0 HD13 LEU A 51 12.588 17.622 -23.638 1.00 62.13 H new ATOM 0 HD21 LEU A 51 10.150 16.401 -22.206 1.00 73.52 H new ATOM 0 HD22 LEU A 51 11.701 15.553 -22.411 1.00 73.52 H new ATOM 0 HD23 LEU A 51 11.008 15.759 -20.785 1.00 73.52 H new ATOM 807 N THR A 52 15.454 15.701 -19.410 1.00 34.40 N ATOM 808 CA THR A 52 16.835 15.573 -18.963 1.00 11.32 C ATOM 809 C THR A 52 17.795 16.228 -19.950 1.00 32.24 C ATOM 810 O THR A 52 19.012 16.112 -19.815 1.00 61.03 O ATOM 811 CB THR A 52 17.232 14.096 -18.780 1.00 44.41 C ATOM 812 OG1 THR A 52 18.561 14.008 -18.253 1.00 40.33 O ATOM 813 CG2 THR A 52 17.155 13.348 -20.102 1.00 31.40 C ATOM 0 H THR A 52 15.136 14.946 -20.017 1.00 34.40 H new ATOM 0 HA THR A 52 16.905 16.081 -18.001 1.00 11.32 H new ATOM 0 HB THR A 52 16.533 13.638 -18.080 1.00 44.41 H new ATOM 0 HG1 THR A 52 19.070 14.803 -18.515 1.00 40.33 H new ATOM 0 HG21 THR A 52 17.440 12.307 -19.948 1.00 31.40 H new ATOM 0 HG22 THR A 52 16.136 13.393 -20.486 1.00 31.40 H new ATOM 0 HG23 THR A 52 17.834 13.808 -20.820 1.00 31.40 H new ATOM 821 N ASN A 53 17.239 16.916 -20.941 1.00 55.40 N ATOM 822 CA ASN A 53 18.046 17.590 -21.951 1.00 45.11 C ATOM 823 C ASN A 53 18.257 19.057 -21.590 1.00 10.34 C ATOM 824 O ASN A 53 18.488 19.895 -22.460 1.00 54.24 O ATOM 825 CB ASN A 53 17.379 17.482 -23.324 1.00 12.15 C ATOM 826 CG ASN A 53 16.265 18.495 -23.506 1.00 43.41 C ATOM 827 OD1 ASN A 53 15.571 18.849 -22.553 1.00 52.52 O ATOM 828 ND2 ASN A 53 16.090 18.967 -24.735 1.00 63.11 N ATOM 0 H ASN A 53 16.232 17.022 -21.066 1.00 55.40 H new ATOM 0 HA ASN A 53 19.019 17.100 -21.988 1.00 45.11 H new ATOM 0 HB2 ASN A 53 18.129 17.627 -24.102 1.00 12.15 H new ATOM 0 HB3 ASN A 53 16.977 16.477 -23.452 1.00 12.15 H new ATOM 0 HD21 ASN A 53 15.356 19.651 -24.919 1.00 63.11 H new ATOM 0 HD22 ASN A 53 16.689 18.645 -25.495 1.00 63.11 H new ATOM 835 N GLY A 54 18.176 19.360 -20.297 1.00 42.44 N ATOM 836 CA GLY A 54 18.361 20.726 -19.843 1.00 14.21 C ATOM 837 C GLY A 54 17.330 21.674 -20.423 1.00 11.42 C ATOM 838 O GLY A 54 17.534 22.888 -20.445 1.00 4.32 O ATOM 0 H GLY A 54 17.986 18.684 -19.557 1.00 42.44 H new ATOM 0 HA2 GLY A 54 18.305 20.755 -18.755 1.00 14.21 H new ATOM 0 HA3 GLY A 54 19.359 21.066 -20.120 1.00 14.21 H new ATOM 842 N LYS A 55 16.219 21.120 -20.896 1.00 13.42 N ATOM 843 CA LYS A 55 15.151 21.924 -21.480 1.00 22.14 C ATOM 844 C LYS A 55 13.783 21.419 -21.032 1.00 2.00 C ATOM 845 O LYS A 55 13.272 20.433 -21.562 1.00 42.13 O ATOM 846 CB LYS A 55 15.242 21.897 -23.007 1.00 53.01 C ATOM 847 CG LYS A 55 15.150 23.272 -23.646 1.00 62.11 C ATOM 848 CD LYS A 55 16.526 23.882 -23.857 1.00 31.41 C ATOM 849 CE LYS A 55 16.501 24.953 -24.937 1.00 24.34 C ATOM 850 NZ LYS A 55 16.427 26.323 -24.357 1.00 64.43 N ATOM 0 H LYS A 55 16.034 20.117 -20.887 1.00 13.42 H new ATOM 0 HA LYS A 55 15.271 22.950 -21.133 1.00 22.14 H new ATOM 0 HB2 LYS A 55 16.184 21.432 -23.298 1.00 53.01 H new ATOM 0 HB3 LYS A 55 14.442 21.269 -23.399 1.00 53.01 H new ATOM 0 HG2 LYS A 55 14.634 23.196 -24.603 1.00 62.11 H new ATOM 0 HG3 LYS A 55 14.553 23.929 -23.014 1.00 62.11 H new ATOM 0 HD2 LYS A 55 16.881 24.315 -22.922 1.00 31.41 H new ATOM 0 HD3 LYS A 55 17.233 23.100 -24.135 1.00 31.41 H new ATOM 0 HE2 LYS A 55 17.395 24.868 -25.554 1.00 24.34 H new ATOM 0 HE3 LYS A 55 15.645 24.789 -25.592 1.00 24.34 H new ATOM 0 HZ1 LYS A 55 16.412 27.025 -25.125 1.00 64.43 H new ATOM 0 HZ2 LYS A 55 15.561 26.413 -23.789 1.00 64.43 H new ATOM 0 HZ3 LYS A 55 17.257 26.489 -23.752 1.00 64.43 H new ATOM 864 N GLN A 56 13.196 22.102 -20.055 1.00 1.23 N ATOM 865 CA GLN A 56 11.887 21.722 -19.537 1.00 52.25 C ATOM 866 C GLN A 56 10.839 21.734 -20.646 1.00 2.12 C ATOM 867 O GLN A 56 10.964 22.472 -21.623 1.00 32.40 O ATOM 868 CB GLN A 56 11.466 22.668 -18.411 1.00 72.03 C ATOM 869 CG GLN A 56 12.107 22.343 -17.072 1.00 64.11 C ATOM 870 CD GLN A 56 11.962 23.468 -16.067 1.00 13.13 C ATOM 871 OE1 GLN A 56 12.667 24.475 -16.138 1.00 24.34 O ATOM 872 NE2 GLN A 56 11.042 23.303 -15.123 1.00 5.54 N ATOM 0 H GLN A 56 13.606 22.921 -19.606 1.00 1.23 H new ATOM 0 HA GLN A 56 11.960 20.709 -19.142 1.00 52.25 H new ATOM 0 HB2 GLN A 56 11.725 23.689 -18.690 1.00 72.03 H new ATOM 0 HB3 GLN A 56 10.382 22.632 -18.304 1.00 72.03 H new ATOM 0 HG2 GLN A 56 11.654 21.438 -16.667 1.00 64.11 H new ATOM 0 HG3 GLN A 56 13.165 22.130 -17.222 1.00 64.11 H new ATOM 0 HE21 GLN A 56 10.480 22.452 -15.102 1.00 5.54 H new ATOM 0 HE22 GLN A 56 10.898 24.027 -14.419 1.00 5.54 H new ATOM 881 N ALA A 57 9.807 20.912 -20.487 1.00 23.13 N ATOM 882 CA ALA A 57 8.737 20.829 -21.473 1.00 43.20 C ATOM 883 C ALA A 57 8.181 22.212 -21.797 1.00 63.30 C ATOM 884 O ALA A 57 8.350 23.168 -21.040 1.00 54.01 O ATOM 885 CB ALA A 57 7.628 19.916 -20.973 1.00 32.01 C ATOM 0 H ALA A 57 9.689 20.294 -19.684 1.00 23.13 H new ATOM 0 HA ALA A 57 9.152 20.409 -22.389 1.00 43.20 H new ATOM 0 HB1 ALA A 57 6.836 19.863 -21.720 1.00 32.01 H new ATOM 0 HB2 ALA A 57 8.029 18.918 -20.799 1.00 32.01 H new ATOM 0 HB3 ALA A 57 7.223 20.312 -20.042 1.00 32.01 H new ATOM 891 N PRO A 58 7.503 22.323 -22.949 1.00 21.41 N ATOM 892 CA PRO A 58 6.909 23.585 -23.399 1.00 72.33 C ATOM 893 C PRO A 58 5.717 24.002 -22.544 1.00 4.20 C ATOM 894 O PRO A 58 5.451 23.406 -21.500 1.00 61.13 O ATOM 895 CB PRO A 58 6.458 23.274 -24.829 1.00 1.32 C ATOM 896 CG PRO A 58 6.248 21.800 -24.848 1.00 61.41 C ATOM 897 CD PRO A 58 7.264 21.224 -23.900 1.00 53.21 C ATOM 0 HA PRO A 58 7.613 24.415 -23.330 1.00 72.33 H new ATOM 0 HB2 PRO A 58 5.541 23.808 -25.080 1.00 1.32 H new ATOM 0 HB3 PRO A 58 7.212 23.576 -25.556 1.00 1.32 H new ATOM 0 HG2 PRO A 58 5.235 21.546 -24.536 1.00 61.41 H new ATOM 0 HG3 PRO A 58 6.381 21.400 -25.853 1.00 61.41 H new ATOM 0 HD2 PRO A 58 6.886 20.333 -23.398 1.00 53.21 H new ATOM 0 HD3 PRO A 58 8.178 20.934 -24.418 1.00 53.21 H new ATOM 905 N ASP A 59 5.004 25.029 -22.993 1.00 30.03 N ATOM 906 CA ASP A 59 3.839 25.525 -22.269 1.00 4.32 C ATOM 907 C ASP A 59 2.597 24.710 -22.613 1.00 61.44 C ATOM 908 O ASP A 59 1.575 24.799 -21.933 1.00 4.43 O ATOM 909 CB ASP A 59 3.602 27.001 -22.593 1.00 13.03 C ATOM 910 CG ASP A 59 4.004 27.916 -21.453 1.00 10.02 C ATOM 911 OD1 ASP A 59 5.187 27.882 -21.054 1.00 1.33 O ATOM 912 OD2 ASP A 59 3.136 28.666 -20.960 1.00 40.54 O ATOM 0 H ASP A 59 5.212 25.534 -23.854 1.00 30.03 H new ATOM 0 HA ASP A 59 4.034 25.422 -21.202 1.00 4.32 H new ATOM 0 HB2 ASP A 59 4.166 27.269 -23.486 1.00 13.03 H new ATOM 0 HB3 ASP A 59 2.548 27.155 -22.824 1.00 13.03 H new ATOM 917 N TRP A 60 2.693 23.916 -23.674 1.00 15.01 N ATOM 918 CA TRP A 60 1.576 23.085 -24.109 1.00 54.25 C ATOM 919 C TRP A 60 1.810 21.623 -23.745 1.00 43.34 C ATOM 920 O TRP A 60 1.236 20.721 -24.357 1.00 2.12 O ATOM 921 CB TRP A 60 1.371 23.221 -25.619 1.00 55.11 C ATOM 922 CG TRP A 60 2.634 23.052 -26.408 1.00 12.22 C ATOM 923 CD1 TRP A 60 3.544 24.023 -26.715 1.00 22.31 C ATOM 924 CD2 TRP A 60 3.124 21.840 -26.991 1.00 4.02 C ATOM 925 NE1 TRP A 60 4.571 23.487 -27.454 1.00 23.22 N ATOM 926 CE2 TRP A 60 4.338 22.149 -27.636 1.00 12.41 C ATOM 927 CE3 TRP A 60 2.658 20.523 -27.029 1.00 40.31 C ATOM 928 CZ2 TRP A 60 5.087 21.190 -28.311 1.00 24.32 C ATOM 929 CZ3 TRP A 60 3.403 19.572 -27.700 1.00 0.14 C ATOM 930 CH2 TRP A 60 4.607 19.909 -28.332 1.00 61.44 C ATOM 0 H TRP A 60 3.532 23.830 -24.248 1.00 15.01 H new ATOM 0 HA TRP A 60 0.678 23.428 -23.595 1.00 54.25 H new ATOM 0 HB2 TRP A 60 0.644 22.479 -25.948 1.00 55.11 H new ATOM 0 HB3 TRP A 60 0.945 24.201 -25.834 1.00 55.11 H new ATOM 0 HD1 TRP A 60 3.468 25.059 -26.420 1.00 22.31 H new ATOM 0 HE1 TRP A 60 5.377 24.002 -27.810 1.00 23.22 H new ATOM 0 HE3 TRP A 60 1.732 20.253 -26.543 1.00 40.31 H new ATOM 0 HZ2 TRP A 60 6.014 21.448 -28.801 1.00 24.32 H new ATOM 0 HZ3 TRP A 60 3.051 18.552 -27.738 1.00 0.14 H new ATOM 0 HH2 TRP A 60 5.168 19.142 -28.846 1.00 61.44 H new ATOM 941 N LEU A 61 2.656 21.395 -22.747 1.00 43.30 N ATOM 942 CA LEU A 61 2.967 20.041 -22.301 1.00 55.32 C ATOM 943 C LEU A 61 2.478 19.812 -20.874 1.00 40.54 C ATOM 944 O LEU A 61 2.531 20.713 -20.038 1.00 0.32 O ATOM 945 CB LEU A 61 4.473 19.789 -22.383 1.00 70.23 C ATOM 946 CG LEU A 61 4.913 18.641 -23.293 1.00 54.22 C ATOM 947 CD1 LEU A 61 4.164 17.365 -22.942 1.00 25.44 C ATOM 948 CD2 LEU A 61 4.693 19.005 -24.754 1.00 60.04 C ATOM 0 H LEU A 61 3.139 22.130 -22.231 1.00 43.30 H new ATOM 0 HA LEU A 61 2.452 19.341 -22.959 1.00 55.32 H new ATOM 0 HB2 LEU A 61 4.956 20.704 -22.726 1.00 70.23 H new ATOM 0 HB3 LEU A 61 4.843 19.591 -21.377 1.00 70.23 H new ATOM 0 HG LEU A 61 5.978 18.468 -23.138 1.00 54.22 H new ATOM 0 HD11 LEU A 61 4.490 16.559 -23.600 1.00 25.44 H new ATOM 0 HD12 LEU A 61 4.371 17.095 -21.907 1.00 25.44 H new ATOM 0 HD13 LEU A 61 3.093 17.525 -23.068 1.00 25.44 H new ATOM 0 HD21 LEU A 61 5.011 18.177 -25.387 1.00 60.04 H new ATOM 0 HD22 LEU A 61 3.635 19.206 -24.924 1.00 60.04 H new ATOM 0 HD23 LEU A 61 5.275 19.894 -24.999 1.00 60.04 H new ATOM 960 N ALA A 62 2.004 18.601 -20.604 1.00 24.41 N ATOM 961 CA ALA A 62 1.511 18.252 -19.277 1.00 73.15 C ATOM 962 C ALA A 62 1.738 16.774 -18.978 1.00 3.21 C ATOM 963 O ALA A 62 2.129 16.006 -19.856 1.00 44.23 O ATOM 964 CB ALA A 62 0.033 18.595 -19.157 1.00 44.41 C ATOM 0 H ALA A 62 1.951 17.845 -21.286 1.00 24.41 H new ATOM 0 HA ALA A 62 2.070 18.834 -18.544 1.00 73.15 H new ATOM 0 HB1 ALA A 62 -0.322 18.329 -18.161 1.00 44.41 H new ATOM 0 HB2 ALA A 62 -0.107 19.664 -19.319 1.00 44.41 H new ATOM 0 HB3 ALA A 62 -0.532 18.038 -19.904 1.00 44.41 H new ATOM 970 N ALA A 63 1.492 16.383 -17.732 1.00 33.10 N ATOM 971 CA ALA A 63 1.669 14.997 -17.317 1.00 73.24 C ATOM 972 C ALA A 63 0.840 14.685 -16.076 1.00 0.02 C ATOM 973 O ALA A 63 1.104 15.210 -14.995 1.00 0.51 O ATOM 974 CB ALA A 63 3.140 14.707 -17.059 1.00 32.11 C ATOM 0 H ALA A 63 1.169 17.007 -16.992 1.00 33.10 H new ATOM 0 HA ALA A 63 1.320 14.354 -18.125 1.00 73.24 H new ATOM 0 HB1 ALA A 63 3.257 13.668 -16.750 1.00 32.11 H new ATOM 0 HB2 ALA A 63 3.711 14.881 -17.971 1.00 32.11 H new ATOM 0 HB3 ALA A 63 3.508 15.364 -16.271 1.00 32.11 H new ATOM 980 N GLU A 64 -0.163 13.828 -16.239 1.00 61.11 N ATOM 981 CA GLU A 64 -1.031 13.448 -15.130 1.00 43.44 C ATOM 982 C GLU A 64 -0.581 12.127 -14.515 1.00 24.51 C ATOM 983 O GLU A 64 0.144 11.342 -15.128 1.00 12.11 O ATOM 984 CB GLU A 64 -2.481 13.335 -15.605 1.00 11.15 C ATOM 985 CG GLU A 64 -3.258 14.637 -15.502 1.00 34.40 C ATOM 986 CD GLU A 64 -4.699 14.493 -15.952 1.00 72.34 C ATOM 987 OE1 GLU A 64 -4.924 14.258 -17.158 1.00 21.10 O ATOM 988 OE2 GLU A 64 -5.602 14.615 -15.098 1.00 71.21 O ATOM 0 H GLU A 64 -0.395 13.384 -17.128 1.00 61.11 H new ATOM 0 HA GLU A 64 -0.965 14.224 -14.368 1.00 43.44 H new ATOM 0 HB2 GLU A 64 -2.490 12.997 -16.641 1.00 11.15 H new ATOM 0 HB3 GLU A 64 -2.989 12.571 -15.016 1.00 11.15 H new ATOM 0 HG2 GLU A 64 -3.237 14.988 -14.470 1.00 34.40 H new ATOM 0 HG3 GLU A 64 -2.766 15.398 -16.108 1.00 34.40 H new