USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 565 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 5 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 8 GLN : amide:sc= -3 K(o=-3,f=-4.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= 0.242 (180deg=-0.286) USER MOD Single : A 26 THR OG1 : rot 37:sc= 1.07 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 100:sc= 1.16 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.788 K(o=-0.79,f=-6.3!) USER MOD Single : A 42 ASN : amide:sc= -2.73! K(o=-2.7!,f=-0.98) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0574 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -135:sc= -0.0206 (180deg=-1.32) USER MOD Single : A 53 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 92:sc= 0.878 USER MOD Single : A 71 MET CE :methyl -134:sc= -1.13 (180deg=-5.08!) USER MOD Single : A 72 MET CE :methyl 164:sc= -0.0408 (180deg=-0.354) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -167:sc= -0.718 (180deg=-0.889) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N LEU A 4 -16.855 3.952 4.727 1.00 0.98 N ATOM 41 CA LEU A 4 -15.746 4.304 5.597 1.00 0.90 C ATOM 42 C LEU A 4 -14.621 4.916 4.759 1.00 0.89 C ATOM 43 O LEU A 4 -13.932 5.829 5.211 1.00 1.07 O ATOM 44 CB LEU A 4 -15.308 3.094 6.425 1.00 1.29 C ATOM 45 CG LEU A 4 -13.969 2.465 6.036 1.00 1.07 C ATOM 46 CD1 LEU A 4 -12.800 3.247 6.640 1.00 2.46 C ATOM 47 CD2 LEU A 4 -13.927 0.985 6.419 1.00 2.23 C ATOM 0 HA LEU A 4 -16.054 5.060 6.320 1.00 0.90 H new ATOM 0 HB2 LEU A 4 -15.255 3.395 7.471 1.00 1.29 H new ATOM 0 HB3 LEU A 4 -16.081 2.329 6.352 1.00 1.29 H new ATOM 0 HG LEU A 4 -13.868 2.520 4.952 1.00 1.07 H new ATOM 0 HD11 LEU A 4 -11.860 2.779 6.348 1.00 2.46 H new ATOM 0 HD12 LEU A 4 -12.822 4.274 6.276 1.00 2.46 H new ATOM 0 HD13 LEU A 4 -12.884 3.246 7.727 1.00 2.46 H new ATOM 0 HD21 LEU A 4 -12.964 0.562 6.131 1.00 2.23 H new ATOM 0 HD22 LEU A 4 -14.061 0.884 7.496 1.00 2.23 H new ATOM 0 HD23 LEU A 4 -14.726 0.453 5.903 1.00 2.23 H new ATOM 59 N THR A 5 -14.470 4.388 3.554 1.00 1.01 N ATOM 60 CA THR A 5 -13.441 4.870 2.649 1.00 1.09 C ATOM 61 C THR A 5 -13.304 6.390 2.758 1.00 0.95 C ATOM 62 O THR A 5 -12.225 6.937 2.536 1.00 0.94 O ATOM 63 CB THR A 5 -13.790 4.392 1.238 1.00 1.25 C ATOM 64 OG1 THR A 5 -14.949 3.583 1.422 1.00 2.51 O ATOM 65 CG2 THR A 5 -12.747 3.425 0.673 1.00 2.98 C ATOM 0 H THR A 5 -15.043 3.630 3.183 1.00 1.01 H new ATOM 0 HA THR A 5 -12.463 4.467 2.912 1.00 1.09 H new ATOM 0 HB THR A 5 -13.884 5.253 0.576 1.00 1.25 H new ATOM 0 HG1 THR A 5 -15.244 3.233 0.556 1.00 2.51 H new ATOM 0 HG21 THR A 5 -13.042 3.116 -0.330 1.00 2.98 H new ATOM 0 HG22 THR A 5 -11.777 3.921 0.629 1.00 2.98 H new ATOM 0 HG23 THR A 5 -12.677 2.548 1.317 1.00 2.98 H new ATOM 73 N GLU A 6 -14.413 7.029 3.100 1.00 0.91 N ATOM 74 CA GLU A 6 -14.431 8.475 3.242 1.00 0.85 C ATOM 75 C GLU A 6 -13.261 8.937 4.114 1.00 0.61 C ATOM 76 O GLU A 6 -12.404 9.692 3.660 1.00 0.54 O ATOM 77 CB GLU A 6 -15.765 8.953 3.817 1.00 1.06 C ATOM 78 CG GLU A 6 -15.840 10.481 3.830 1.00 1.17 C ATOM 79 CD GLU A 6 -17.281 10.962 3.643 1.00 1.67 C ATOM 80 OE1 GLU A 6 -17.747 10.919 2.484 1.00 2.19 O ATOM 81 OE2 GLU A 6 -17.883 11.360 4.663 1.00 2.92 O ATOM 0 H GLU A 6 -15.306 6.572 3.283 1.00 0.91 H new ATOM 0 HA GLU A 6 -14.320 8.919 2.253 1.00 0.85 H new ATOM 0 HB2 GLU A 6 -16.586 8.550 3.224 1.00 1.06 H new ATOM 0 HB3 GLU A 6 -15.886 8.571 4.831 1.00 1.06 H new ATOM 0 HG2 GLU A 6 -15.446 10.860 4.773 1.00 1.17 H new ATOM 0 HG3 GLU A 6 -15.212 10.886 3.037 1.00 1.17 H new ATOM 88 N GLU A 7 -13.265 8.463 5.352 1.00 0.64 N ATOM 89 CA GLU A 7 -12.215 8.818 6.292 1.00 0.60 C ATOM 90 C GLU A 7 -10.901 8.139 5.901 1.00 0.53 C ATOM 91 O GLU A 7 -9.824 8.701 6.099 1.00 0.56 O ATOM 92 CB GLU A 7 -12.615 8.456 7.723 1.00 0.87 C ATOM 93 CG GLU A 7 -13.070 6.998 7.813 1.00 1.08 C ATOM 94 CD GLU A 7 -12.661 6.377 9.150 1.00 1.55 C ATOM 95 OE1 GLU A 7 -11.560 6.730 9.627 1.00 2.50 O ATOM 96 OE2 GLU A 7 -13.458 5.564 9.666 1.00 1.67 O ATOM 0 H GLU A 7 -13.978 7.837 5.725 1.00 0.64 H new ATOM 0 HA GLU A 7 -12.069 9.897 6.253 1.00 0.60 H new ATOM 0 HB2 GLU A 7 -11.771 8.619 8.393 1.00 0.87 H new ATOM 0 HB3 GLU A 7 -13.418 9.113 8.057 1.00 0.87 H new ATOM 0 HG2 GLU A 7 -14.153 6.944 7.699 1.00 1.08 H new ATOM 0 HG3 GLU A 7 -12.634 6.426 6.994 1.00 1.08 H new ATOM 103 N GLN A 8 -11.031 6.940 5.353 1.00 0.58 N ATOM 104 CA GLN A 8 -9.868 6.178 4.932 1.00 0.59 C ATOM 105 C GLN A 8 -9.088 6.946 3.863 1.00 0.59 C ATOM 106 O GLN A 8 -7.919 7.276 4.058 1.00 0.64 O ATOM 107 CB GLN A 8 -10.273 4.792 4.426 1.00 0.67 C ATOM 108 CG GLN A 8 -9.120 3.797 4.570 1.00 1.44 C ATOM 109 CD GLN A 8 -8.899 3.422 6.037 1.00 2.19 C ATOM 110 OE1 GLN A 8 -8.256 4.128 6.795 1.00 3.01 O ATOM 111 NE2 GLN A 8 -9.468 2.273 6.392 1.00 2.94 N ATOM 0 H GLN A 8 -11.925 6.477 5.191 1.00 0.58 H new ATOM 0 HA GLN A 8 -9.219 6.037 5.796 1.00 0.59 H new ATOM 0 HB2 GLN A 8 -11.138 4.435 4.985 1.00 0.67 H new ATOM 0 HB3 GLN A 8 -10.574 4.856 3.380 1.00 0.67 H new ATOM 0 HG2 GLN A 8 -9.335 2.900 3.990 1.00 1.44 H new ATOM 0 HG3 GLN A 8 -8.208 4.230 4.160 1.00 1.44 H new ATOM 0 HE21 GLN A 8 -9.993 1.731 5.706 1.00 2.94 H new ATOM 0 HE22 GLN A 8 -9.379 1.934 7.350 1.00 2.94 H new ATOM 120 N ILE A 9 -9.768 7.209 2.756 1.00 0.61 N ATOM 121 CA ILE A 9 -9.154 7.933 1.655 1.00 0.68 C ATOM 122 C ILE A 9 -8.665 9.294 2.155 1.00 0.57 C ATOM 123 O ILE A 9 -7.813 9.920 1.526 1.00 0.62 O ATOM 124 CB ILE A 9 -10.116 8.022 0.470 1.00 0.90 C ATOM 125 CG1 ILE A 9 -11.320 8.906 0.806 1.00 1.56 C ATOM 126 CG2 ILE A 9 -10.541 6.629 0.002 1.00 2.93 C ATOM 127 CD1 ILE A 9 -11.352 10.150 -0.084 1.00 2.78 C ATOM 0 H ILE A 9 -10.737 6.934 2.598 1.00 0.61 H new ATOM 0 HA ILE A 9 -8.280 7.396 1.286 1.00 0.68 H new ATOM 0 HB ILE A 9 -9.591 8.494 -0.361 1.00 0.90 H new ATOM 0 HG12 ILE A 9 -12.241 8.337 0.676 1.00 1.56 H new ATOM 0 HG13 ILE A 9 -11.275 9.205 1.853 1.00 1.56 H new ATOM 0 HG21 ILE A 9 -11.225 6.722 -0.842 1.00 2.93 H new ATOM 0 HG22 ILE A 9 -9.661 6.064 -0.305 1.00 2.93 H new ATOM 0 HG23 ILE A 9 -11.040 6.108 0.818 1.00 2.93 H new ATOM 0 HD11 ILE A 9 -12.217 10.761 0.175 1.00 2.78 H new ATOM 0 HD12 ILE A 9 -10.441 10.729 0.067 1.00 2.78 H new ATOM 0 HD13 ILE A 9 -11.421 9.848 -1.129 1.00 2.78 H new ATOM 139 N ALA A 10 -9.225 9.711 3.280 1.00 0.61 N ATOM 140 CA ALA A 10 -8.857 10.987 3.871 1.00 0.57 C ATOM 141 C ALA A 10 -7.417 10.910 4.383 1.00 0.47 C ATOM 142 O ALA A 10 -6.554 11.664 3.934 1.00 0.56 O ATOM 143 CB ALA A 10 -9.851 11.342 4.979 1.00 0.58 C ATOM 0 H ALA A 10 -9.931 9.188 3.799 1.00 0.61 H new ATOM 0 HA ALA A 10 -8.901 11.782 3.126 1.00 0.57 H new ATOM 0 HB1 ALA A 10 -9.575 12.299 5.422 1.00 0.58 H new ATOM 0 HB2 ALA A 10 -10.854 11.412 4.559 1.00 0.58 H new ATOM 0 HB3 ALA A 10 -9.832 10.568 5.746 1.00 0.58 H new ATOM 149 N GLU A 11 -7.201 9.993 5.314 1.00 0.45 N ATOM 150 CA GLU A 11 -5.881 9.808 5.891 1.00 0.53 C ATOM 151 C GLU A 11 -4.940 9.166 4.870 1.00 0.51 C ATOM 152 O GLU A 11 -3.796 9.591 4.720 1.00 0.50 O ATOM 153 CB GLU A 11 -5.953 8.973 7.171 1.00 0.78 C ATOM 154 CG GLU A 11 -6.267 9.853 8.383 1.00 1.13 C ATOM 155 CD GLU A 11 -7.073 9.079 9.428 1.00 1.66 C ATOM 156 OE1 GLU A 11 -6.735 7.895 9.643 1.00 1.99 O ATOM 157 OE2 GLU A 11 -8.010 9.689 9.988 1.00 2.83 O ATOM 0 H GLU A 11 -7.919 9.370 5.683 1.00 0.45 H new ATOM 0 HA GLU A 11 -5.483 10.787 6.157 1.00 0.53 H new ATOM 0 HB2 GLU A 11 -6.720 8.205 7.066 1.00 0.78 H new ATOM 0 HB3 GLU A 11 -5.005 8.458 7.327 1.00 0.78 H new ATOM 0 HG2 GLU A 11 -5.338 10.211 8.827 1.00 1.13 H new ATOM 0 HG3 GLU A 11 -6.828 10.732 8.064 1.00 1.13 H new ATOM 164 N PHE A 12 -5.458 8.151 4.193 1.00 0.62 N ATOM 165 CA PHE A 12 -4.678 7.445 3.190 1.00 0.77 C ATOM 166 C PHE A 12 -4.027 8.425 2.212 1.00 0.75 C ATOM 167 O PHE A 12 -2.940 8.166 1.699 1.00 0.86 O ATOM 168 CB PHE A 12 -5.648 6.545 2.422 1.00 0.93 C ATOM 169 CG PHE A 12 -5.913 5.197 3.096 1.00 1.39 C ATOM 170 CD1 PHE A 12 -5.640 5.033 4.418 1.00 1.57 C ATOM 171 CD2 PHE A 12 -6.421 4.164 2.373 1.00 2.10 C ATOM 172 CE1 PHE A 12 -5.886 3.782 5.043 1.00 2.11 C ATOM 173 CE2 PHE A 12 -6.667 2.913 2.998 1.00 2.69 C ATOM 174 CZ PHE A 12 -6.394 2.749 4.321 1.00 2.58 C ATOM 0 H PHE A 12 -6.408 7.801 4.319 1.00 0.62 H new ATOM 0 HA PHE A 12 -3.885 6.872 3.670 1.00 0.77 H new ATOM 0 HB2 PHE A 12 -6.595 7.070 2.299 1.00 0.93 H new ATOM 0 HB3 PHE A 12 -5.250 6.368 1.423 1.00 0.93 H new ATOM 0 HD1 PHE A 12 -5.236 5.854 4.992 1.00 1.57 H new ATOM 0 HD2 PHE A 12 -6.638 4.295 1.323 1.00 2.10 H new ATOM 0 HE1 PHE A 12 -5.669 3.651 6.093 1.00 2.11 H new ATOM 0 HE2 PHE A 12 -7.071 2.092 2.424 1.00 2.69 H new ATOM 0 HZ PHE A 12 -6.581 1.798 4.797 1.00 2.58 H new ATOM 184 N LYS A 13 -4.721 9.531 1.983 1.00 0.69 N ATOM 185 CA LYS A 13 -4.224 10.551 1.075 1.00 0.77 C ATOM 186 C LYS A 13 -2.809 10.956 1.496 1.00 0.80 C ATOM 187 O LYS A 13 -1.888 10.941 0.682 1.00 0.84 O ATOM 188 CB LYS A 13 -5.203 11.725 1.000 1.00 0.74 C ATOM 189 CG LYS A 13 -5.150 12.396 -0.373 1.00 0.99 C ATOM 190 CD LYS A 13 -6.499 13.023 -0.730 1.00 0.95 C ATOM 191 CE LYS A 13 -6.994 12.523 -2.089 1.00 1.64 C ATOM 192 NZ LYS A 13 -6.650 13.492 -3.154 1.00 2.37 N ATOM 0 H LYS A 13 -5.623 9.743 2.410 1.00 0.69 H new ATOM 0 HA LYS A 13 -4.156 10.158 0.061 1.00 0.77 H new ATOM 0 HB2 LYS A 13 -6.215 11.372 1.197 1.00 0.74 H new ATOM 0 HB3 LYS A 13 -4.963 12.454 1.774 1.00 0.74 H new ATOM 0 HG2 LYS A 13 -4.376 13.163 -0.377 1.00 0.99 H new ATOM 0 HG3 LYS A 13 -4.875 11.662 -1.130 1.00 0.99 H new ATOM 0 HD2 LYS A 13 -7.232 12.780 0.040 1.00 0.95 H new ATOM 0 HD3 LYS A 13 -6.405 14.109 -0.750 1.00 0.95 H new ATOM 0 HE2 LYS A 13 -6.546 11.554 -2.312 1.00 1.64 H new ATOM 0 HE3 LYS A 13 -8.074 12.376 -2.058 1.00 1.64 H new ATOM 0 HZ1 LYS A 13 -6.993 13.138 -4.070 1.00 2.37 H new ATOM 0 HZ2 LYS A 13 -7.097 14.408 -2.948 1.00 2.37 H new ATOM 0 HZ3 LYS A 13 -5.618 13.612 -3.194 1.00 2.37 H new ATOM 206 N GLU A 14 -2.683 11.310 2.766 1.00 0.81 N ATOM 207 CA GLU A 14 -1.396 11.719 3.304 1.00 0.87 C ATOM 208 C GLU A 14 -0.457 10.515 3.407 1.00 0.89 C ATOM 209 O GLU A 14 0.759 10.661 3.292 1.00 0.92 O ATOM 210 CB GLU A 14 -1.563 12.401 4.664 1.00 0.93 C ATOM 211 CG GLU A 14 -2.295 13.737 4.521 1.00 1.43 C ATOM 212 CD GLU A 14 -3.639 13.706 5.251 1.00 2.86 C ATOM 213 OE1 GLU A 14 -3.611 13.808 6.496 1.00 3.02 O ATOM 214 OE2 GLU A 14 -4.665 13.582 4.547 1.00 4.30 O ATOM 0 H GLU A 14 -3.450 11.322 3.438 1.00 0.81 H new ATOM 0 HA GLU A 14 -0.952 12.444 2.622 1.00 0.87 H new ATOM 0 HB2 GLU A 14 -2.119 11.748 5.337 1.00 0.93 H new ATOM 0 HB3 GLU A 14 -0.584 12.565 5.115 1.00 0.93 H new ATOM 0 HG2 GLU A 14 -1.677 14.539 4.924 1.00 1.43 H new ATOM 0 HG3 GLU A 14 -2.455 13.957 3.466 1.00 1.43 H new ATOM 221 N ALA A 15 -1.057 9.353 3.621 1.00 0.92 N ATOM 222 CA ALA A 15 -0.289 8.125 3.740 1.00 0.98 C ATOM 223 C ALA A 15 0.383 7.818 2.401 1.00 0.99 C ATOM 224 O ALA A 15 1.548 7.425 2.363 1.00 1.13 O ATOM 225 CB ALA A 15 -1.206 6.993 4.205 1.00 0.97 C ATOM 0 H ALA A 15 -2.066 9.236 3.715 1.00 0.92 H new ATOM 0 HA ALA A 15 0.498 8.235 4.486 1.00 0.98 H new ATOM 0 HB1 ALA A 15 -0.630 6.072 4.294 1.00 0.97 H new ATOM 0 HB2 ALA A 15 -1.636 7.248 5.174 1.00 0.97 H new ATOM 0 HB3 ALA A 15 -2.006 6.852 3.479 1.00 0.97 H new ATOM 231 N PHE A 16 -0.379 8.009 1.334 1.00 0.89 N ATOM 232 CA PHE A 16 0.128 7.757 -0.004 1.00 0.93 C ATOM 233 C PHE A 16 1.466 8.466 -0.225 1.00 0.89 C ATOM 234 O PHE A 16 2.364 7.919 -0.864 1.00 1.00 O ATOM 235 CB PHE A 16 -0.901 8.318 -0.986 1.00 1.08 C ATOM 236 CG PHE A 16 -0.350 8.565 -2.392 1.00 0.99 C ATOM 237 CD1 PHE A 16 0.060 7.517 -3.156 1.00 0.84 C ATOM 238 CD2 PHE A 16 -0.270 9.833 -2.878 1.00 1.47 C ATOM 239 CE1 PHE A 16 0.571 7.747 -4.460 1.00 0.97 C ATOM 240 CE2 PHE A 16 0.242 10.062 -4.182 1.00 1.73 C ATOM 241 CZ PHE A 16 0.651 9.014 -4.946 1.00 1.42 C ATOM 0 H PHE A 16 -1.345 8.336 1.369 1.00 0.89 H new ATOM 0 HA PHE A 16 0.285 6.688 -0.147 1.00 0.93 H new ATOM 0 HB2 PHE A 16 -1.740 7.625 -1.052 1.00 1.08 H new ATOM 0 HB3 PHE A 16 -1.292 9.255 -0.590 1.00 1.08 H new ATOM 0 HD1 PHE A 16 -0.003 6.510 -2.770 1.00 0.84 H new ATOM 0 HD2 PHE A 16 -0.596 10.665 -2.272 1.00 1.47 H new ATOM 0 HE1 PHE A 16 0.897 6.915 -5.067 1.00 0.97 H new ATOM 0 HE2 PHE A 16 0.307 11.069 -4.567 1.00 1.73 H new ATOM 0 HZ PHE A 16 1.039 9.188 -5.939 1.00 1.42 H new ATOM 251 N SER A 17 1.557 9.672 0.316 1.00 0.84 N ATOM 252 CA SER A 17 2.770 10.461 0.185 1.00 0.85 C ATOM 253 C SER A 17 3.967 9.674 0.722 1.00 0.76 C ATOM 254 O SER A 17 4.935 9.441 0.001 1.00 0.87 O ATOM 255 CB SER A 17 2.639 11.797 0.920 1.00 0.92 C ATOM 256 OG SER A 17 2.156 12.831 0.067 1.00 2.27 O ATOM 0 H SER A 17 0.811 10.122 0.846 1.00 0.84 H new ATOM 0 HA SER A 17 2.928 10.673 -0.872 1.00 0.85 H new ATOM 0 HB2 SER A 17 1.963 11.680 1.767 1.00 0.92 H new ATOM 0 HB3 SER A 17 3.609 12.085 1.325 1.00 0.92 H new ATOM 0 HG SER A 17 2.085 13.667 0.574 1.00 2.27 H new ATOM 262 N LEU A 18 3.861 9.287 1.985 1.00 0.63 N ATOM 263 CA LEU A 18 4.923 8.531 2.627 1.00 0.66 C ATOM 264 C LEU A 18 5.098 7.193 1.906 1.00 0.63 C ATOM 265 O LEU A 18 6.167 6.910 1.366 1.00 0.73 O ATOM 266 CB LEU A 18 4.649 8.390 4.126 1.00 0.71 C ATOM 267 CG LEU A 18 4.971 9.615 4.985 1.00 0.87 C ATOM 268 CD1 LEU A 18 4.021 9.712 6.180 1.00 0.98 C ATOM 269 CD2 LEU A 18 6.438 9.611 5.417 1.00 0.81 C ATOM 0 H LEU A 18 3.056 9.483 2.581 1.00 0.63 H new ATOM 0 HA LEU A 18 5.871 9.063 2.548 1.00 0.66 H new ATOM 0 HB2 LEU A 18 3.596 8.143 4.261 1.00 0.71 H new ATOM 0 HB3 LEU A 18 5.226 7.545 4.503 1.00 0.71 H new ATOM 0 HG LEU A 18 4.817 10.508 4.379 1.00 0.87 H new ATOM 0 HD11 LEU A 18 4.272 10.591 6.774 1.00 0.98 H new ATOM 0 HD12 LEU A 18 2.995 9.796 5.823 1.00 0.98 H new ATOM 0 HD13 LEU A 18 4.119 8.818 6.796 1.00 0.98 H new ATOM 0 HD21 LEU A 18 6.640 10.492 6.026 1.00 0.81 H new ATOM 0 HD22 LEU A 18 6.643 8.713 5.999 1.00 0.81 H new ATOM 0 HD23 LEU A 18 7.077 9.626 4.534 1.00 0.81 H new ATOM 281 N PHE A 19 4.033 6.405 1.920 1.00 0.61 N ATOM 282 CA PHE A 19 4.056 5.104 1.274 1.00 0.69 C ATOM 283 C PHE A 19 4.630 5.204 -0.141 1.00 0.57 C ATOM 284 O PHE A 19 5.248 4.261 -0.632 1.00 0.65 O ATOM 285 CB PHE A 19 2.608 4.619 1.191 1.00 0.86 C ATOM 286 CG PHE A 19 2.322 3.365 2.019 1.00 1.79 C ATOM 287 CD1 PHE A 19 2.218 3.452 3.372 1.00 1.89 C ATOM 288 CD2 PHE A 19 2.173 2.162 1.401 1.00 3.36 C ATOM 289 CE1 PHE A 19 1.954 2.287 4.140 1.00 2.70 C ATOM 290 CE2 PHE A 19 1.908 0.998 2.169 1.00 4.32 C ATOM 291 CZ PHE A 19 1.804 1.085 3.522 1.00 3.75 C ATOM 0 H PHE A 19 3.148 6.643 2.369 1.00 0.61 H new ATOM 0 HA PHE A 19 4.682 4.418 1.844 1.00 0.69 H new ATOM 0 HB2 PHE A 19 1.948 5.420 1.524 1.00 0.86 H new ATOM 0 HB3 PHE A 19 2.363 4.417 0.148 1.00 0.86 H new ATOM 0 HD1 PHE A 19 2.336 4.407 3.862 1.00 1.89 H new ATOM 0 HD2 PHE A 19 2.256 2.093 0.326 1.00 3.36 H new ATOM 0 HE1 PHE A 19 1.872 2.356 5.215 1.00 2.70 H new ATOM 0 HE2 PHE A 19 1.789 0.043 1.679 1.00 4.32 H new ATOM 0 HZ PHE A 19 1.602 0.199 4.106 1.00 3.75 H new ATOM 301 N ASP A 20 4.404 6.356 -0.756 1.00 0.49 N ATOM 302 CA ASP A 20 4.891 6.592 -2.105 1.00 0.52 C ATOM 303 C ASP A 20 6.094 7.535 -2.050 1.00 0.71 C ATOM 304 O ASP A 20 6.114 8.561 -2.728 1.00 1.48 O ATOM 305 CB ASP A 20 3.815 7.248 -2.971 1.00 0.86 C ATOM 306 CG ASP A 20 4.014 7.090 -4.480 1.00 0.90 C ATOM 307 OD1 ASP A 20 5.133 6.686 -4.865 1.00 0.72 O ATOM 308 OD2 ASP A 20 3.044 7.377 -5.214 1.00 1.34 O ATOM 0 H ASP A 20 3.890 7.136 -0.345 1.00 0.49 H new ATOM 0 HA ASP A 20 5.166 5.630 -2.538 1.00 0.52 H new ATOM 0 HB2 ASP A 20 2.846 6.827 -2.701 1.00 0.86 H new ATOM 0 HB3 ASP A 20 3.778 8.311 -2.734 1.00 0.86 H new ATOM 313 N LYS A 21 7.068 7.154 -1.237 1.00 0.73 N ATOM 314 CA LYS A 21 8.273 7.953 -1.085 1.00 1.12 C ATOM 315 C LYS A 21 8.797 8.345 -2.468 1.00 0.93 C ATOM 316 O LYS A 21 9.155 9.499 -2.696 1.00 1.29 O ATOM 317 CB LYS A 21 9.300 7.215 -0.224 1.00 1.54 C ATOM 318 CG LYS A 21 9.441 5.758 -0.667 1.00 1.47 C ATOM 319 CD LYS A 21 9.465 4.818 0.540 1.00 1.48 C ATOM 320 CE LYS A 21 8.053 4.352 0.900 1.00 1.77 C ATOM 321 NZ LYS A 21 7.585 5.020 2.135 1.00 2.03 N ATOM 0 H LYS A 21 7.048 6.302 -0.676 1.00 0.73 H new ATOM 0 HA LYS A 21 8.052 8.879 -0.553 1.00 1.12 H new ATOM 0 HB2 LYS A 21 10.266 7.715 -0.295 1.00 1.54 H new ATOM 0 HB3 LYS A 21 8.997 7.253 0.822 1.00 1.54 H new ATOM 0 HG2 LYS A 21 8.612 5.492 -1.323 1.00 1.47 H new ATOM 0 HG3 LYS A 21 10.357 5.637 -1.245 1.00 1.47 H new ATOM 0 HD2 LYS A 21 10.092 3.954 0.320 1.00 1.48 H new ATOM 0 HD3 LYS A 21 9.912 5.328 1.393 1.00 1.48 H new ATOM 0 HE2 LYS A 21 7.371 4.573 0.079 1.00 1.77 H new ATOM 0 HE3 LYS A 21 8.045 3.271 1.039 1.00 1.77 H new ATOM 0 HZ1 LYS A 21 6.713 4.562 2.468 1.00 2.03 H new ATOM 0 HZ2 LYS A 21 8.318 4.945 2.869 1.00 2.03 H new ATOM 0 HZ3 LYS A 21 7.395 6.023 1.937 1.00 2.03 H new ATOM 335 N ASP A 22 8.825 7.361 -3.356 1.00 0.62 N ATOM 336 CA ASP A 22 9.300 7.589 -4.710 1.00 0.56 C ATOM 337 C ASP A 22 8.796 8.948 -5.201 1.00 0.54 C ATOM 338 O ASP A 22 9.588 9.798 -5.605 1.00 0.72 O ATOM 339 CB ASP A 22 8.773 6.516 -5.666 1.00 0.76 C ATOM 340 CG ASP A 22 9.852 5.695 -6.374 1.00 1.26 C ATOM 341 OD1 ASP A 22 10.992 6.202 -6.452 1.00 2.08 O ATOM 342 OD2 ASP A 22 9.513 4.578 -6.822 1.00 1.57 O ATOM 0 H ASP A 22 8.527 6.405 -3.164 1.00 0.62 H new ATOM 0 HA ASP A 22 10.389 7.556 -4.695 1.00 0.56 H new ATOM 0 HB2 ASP A 22 8.129 5.837 -5.107 1.00 0.76 H new ATOM 0 HB3 ASP A 22 8.150 6.997 -6.420 1.00 0.76 H new ATOM 347 N GLY A 23 7.482 9.110 -5.149 1.00 0.52 N ATOM 348 CA GLY A 23 6.864 10.351 -5.583 1.00 0.60 C ATOM 349 C GLY A 23 6.614 10.341 -7.092 1.00 0.59 C ATOM 350 O GLY A 23 6.764 11.365 -7.757 1.00 0.73 O ATOM 0 H GLY A 23 6.829 8.403 -4.813 1.00 0.52 H new ATOM 0 HA2 GLY A 23 5.921 10.496 -5.056 1.00 0.60 H new ATOM 0 HA3 GLY A 23 7.507 11.192 -5.323 1.00 0.60 H new ATOM 354 N ASP A 24 6.238 9.172 -7.589 1.00 0.52 N ATOM 355 CA ASP A 24 5.966 9.015 -9.008 1.00 0.59 C ATOM 356 C ASP A 24 4.487 8.679 -9.205 1.00 0.66 C ATOM 357 O ASP A 24 3.906 9.000 -10.241 1.00 1.06 O ATOM 358 CB ASP A 24 6.793 7.874 -9.604 1.00 0.57 C ATOM 359 CG ASP A 24 7.024 6.685 -8.669 1.00 0.74 C ATOM 360 OD1 ASP A 24 6.037 6.271 -8.024 1.00 0.60 O ATOM 361 OD2 ASP A 24 8.182 6.218 -8.621 1.00 1.68 O ATOM 0 H ASP A 24 6.115 8.325 -7.035 1.00 0.52 H new ATOM 0 HA ASP A 24 6.227 9.949 -9.507 1.00 0.59 H new ATOM 0 HB2 ASP A 24 6.295 7.517 -10.505 1.00 0.57 H new ATOM 0 HB3 ASP A 24 7.761 8.269 -9.911 1.00 0.57 H new ATOM 366 N GLY A 25 3.919 8.037 -8.195 1.00 0.54 N ATOM 367 CA GLY A 25 2.518 7.654 -8.244 1.00 0.60 C ATOM 368 C GLY A 25 2.365 6.132 -8.242 1.00 0.65 C ATOM 369 O GLY A 25 1.381 5.603 -8.755 1.00 1.05 O ATOM 0 H GLY A 25 4.404 7.772 -7.337 1.00 0.54 H new ATOM 0 HA2 GLY A 25 1.992 8.077 -7.388 1.00 0.60 H new ATOM 0 HA3 GLY A 25 2.055 8.068 -9.140 1.00 0.60 H new ATOM 373 N THR A 26 3.354 5.471 -7.659 1.00 0.44 N ATOM 374 CA THR A 26 3.342 4.020 -7.583 1.00 0.47 C ATOM 375 C THR A 26 4.177 3.541 -6.394 1.00 0.48 C ATOM 376 O THR A 26 5.378 3.800 -6.330 1.00 0.74 O ATOM 377 CB THR A 26 3.827 3.472 -8.927 1.00 0.51 C ATOM 378 OG1 THR A 26 4.817 4.408 -9.346 1.00 0.97 O ATOM 379 CG2 THR A 26 2.754 3.553 -10.014 1.00 0.99 C ATOM 0 H THR A 26 4.169 5.914 -7.235 1.00 0.44 H new ATOM 0 HA THR A 26 2.335 3.642 -7.406 1.00 0.47 H new ATOM 0 HB THR A 26 4.141 2.436 -8.804 1.00 0.51 H new ATOM 0 HG1 THR A 26 5.325 4.717 -8.567 1.00 0.97 H new ATOM 0 HG21 THR A 26 3.150 3.151 -10.947 1.00 0.99 H new ATOM 0 HG22 THR A 26 1.883 2.972 -9.710 1.00 0.99 H new ATOM 0 HG23 THR A 26 2.463 4.593 -10.161 1.00 0.99 H new ATOM 387 N ILE A 27 3.509 2.850 -5.482 1.00 0.32 N ATOM 388 CA ILE A 27 4.175 2.332 -4.299 1.00 0.33 C ATOM 389 C ILE A 27 4.866 1.012 -4.645 1.00 0.34 C ATOM 390 O ILE A 27 4.241 -0.047 -4.612 1.00 0.45 O ATOM 391 CB ILE A 27 3.189 2.224 -3.134 1.00 0.38 C ATOM 392 CG1 ILE A 27 2.879 3.603 -2.548 1.00 0.40 C ATOM 393 CG2 ILE A 27 3.702 1.251 -2.070 1.00 0.49 C ATOM 394 CD1 ILE A 27 2.005 4.420 -3.501 1.00 0.61 C ATOM 0 H ILE A 27 2.513 2.637 -5.538 1.00 0.32 H new ATOM 0 HA ILE A 27 4.952 3.021 -3.966 1.00 0.33 H new ATOM 0 HB ILE A 27 2.252 1.819 -3.516 1.00 0.38 H new ATOM 0 HG12 ILE A 27 2.371 3.489 -1.590 1.00 0.40 H new ATOM 0 HG13 ILE A 27 3.809 4.137 -2.354 1.00 0.40 H new ATOM 0 HG21 ILE A 27 2.983 1.193 -1.253 1.00 0.49 H new ATOM 0 HG22 ILE A 27 3.830 0.263 -2.512 1.00 0.49 H new ATOM 0 HG23 ILE A 27 4.659 1.603 -1.686 1.00 0.49 H new ATOM 0 HD11 ILE A 27 1.800 5.396 -3.060 1.00 0.61 H new ATOM 0 HD12 ILE A 27 2.526 4.553 -4.449 1.00 0.61 H new ATOM 0 HD13 ILE A 27 1.066 3.895 -3.674 1.00 0.61 H new ATOM 406 N THR A 28 6.147 1.118 -4.968 1.00 0.33 N ATOM 407 CA THR A 28 6.930 -0.054 -5.320 1.00 0.36 C ATOM 408 C THR A 28 7.051 -0.994 -4.118 1.00 0.42 C ATOM 409 O THR A 28 7.111 -0.543 -2.976 1.00 0.54 O ATOM 410 CB THR A 28 8.281 0.423 -5.856 1.00 0.38 C ATOM 411 OG1 THR A 28 7.955 1.088 -7.074 1.00 0.43 O ATOM 412 CG2 THR A 28 9.179 -0.736 -6.294 1.00 0.46 C ATOM 0 H THR A 28 6.662 1.998 -4.993 1.00 0.33 H new ATOM 0 HA THR A 28 6.442 -0.636 -6.101 1.00 0.36 H new ATOM 0 HB THR A 28 8.790 1.007 -5.090 1.00 0.38 H new ATOM 0 HG1 THR A 28 8.774 1.431 -7.489 1.00 0.43 H new ATOM 0 HG21 THR A 28 10.125 -0.343 -6.666 1.00 0.46 H new ATOM 0 HG22 THR A 28 9.368 -1.391 -5.444 1.00 0.46 H new ATOM 0 HG23 THR A 28 8.685 -1.301 -7.085 1.00 0.46 H new ATOM 420 N THR A 29 7.082 -2.284 -4.418 1.00 0.40 N ATOM 421 CA THR A 29 7.195 -3.292 -3.377 1.00 0.49 C ATOM 422 C THR A 29 8.213 -2.856 -2.321 1.00 0.54 C ATOM 423 O THR A 29 8.005 -3.070 -1.128 1.00 0.65 O ATOM 424 CB THR A 29 7.544 -4.624 -4.044 1.00 0.51 C ATOM 425 OG1 THR A 29 8.839 -4.406 -4.598 1.00 0.50 O ATOM 426 CG2 THR A 29 6.664 -4.918 -5.260 1.00 0.51 C ATOM 0 H THR A 29 7.031 -2.655 -5.367 1.00 0.40 H new ATOM 0 HA THR A 29 6.253 -3.417 -2.843 1.00 0.49 H new ATOM 0 HB THR A 29 7.442 -5.431 -3.318 1.00 0.51 H new ATOM 0 HG1 THR A 29 9.143 -5.221 -5.049 1.00 0.50 H new ATOM 0 HG21 THR A 29 6.953 -5.874 -5.696 1.00 0.51 H new ATOM 0 HG22 THR A 29 5.619 -4.961 -4.951 1.00 0.51 H new ATOM 0 HG23 THR A 29 6.791 -4.129 -6.001 1.00 0.51 H new ATOM 434 N LYS A 30 9.291 -2.253 -2.799 1.00 0.55 N ATOM 435 CA LYS A 30 10.342 -1.785 -1.910 1.00 0.68 C ATOM 436 C LYS A 30 9.776 -0.711 -0.980 1.00 0.62 C ATOM 437 O LYS A 30 10.039 -0.724 0.222 1.00 0.68 O ATOM 438 CB LYS A 30 11.558 -1.323 -2.716 1.00 0.82 C ATOM 439 CG LYS A 30 11.255 -0.028 -3.472 1.00 1.32 C ATOM 440 CD LYS A 30 12.211 0.155 -4.652 1.00 1.42 C ATOM 441 CE LYS A 30 13.643 0.391 -4.165 1.00 1.88 C ATOM 442 NZ LYS A 30 14.064 1.782 -4.450 1.00 2.65 N ATOM 0 H LYS A 30 9.460 -2.077 -3.789 1.00 0.55 H new ATOM 0 HA LYS A 30 10.698 -2.599 -1.278 1.00 0.68 H new ATOM 0 HB2 LYS A 30 12.405 -1.168 -2.047 1.00 0.82 H new ATOM 0 HB3 LYS A 30 11.848 -2.101 -3.422 1.00 0.82 H new ATOM 0 HG2 LYS A 30 10.226 -0.045 -3.832 1.00 1.32 H new ATOM 0 HG3 LYS A 30 11.341 0.821 -2.794 1.00 1.32 H new ATOM 0 HD2 LYS A 30 12.181 -0.728 -5.290 1.00 1.42 H new ATOM 0 HD3 LYS A 30 11.886 0.999 -5.261 1.00 1.42 H new ATOM 0 HE2 LYS A 30 13.706 0.198 -3.094 1.00 1.88 H new ATOM 0 HE3 LYS A 30 14.320 -0.308 -4.655 1.00 1.88 H new ATOM 0 HZ1 LYS A 30 15.038 1.926 -4.114 1.00 2.65 H new ATOM 0 HZ2 LYS A 30 14.023 1.954 -5.475 1.00 2.65 H new ATOM 0 HZ3 LYS A 30 13.428 2.444 -3.962 1.00 2.65 H new ATOM 456 N GLU A 31 9.010 0.195 -1.570 1.00 0.56 N ATOM 457 CA GLU A 31 8.404 1.274 -0.809 1.00 0.57 C ATOM 458 C GLU A 31 7.390 0.715 0.190 1.00 0.48 C ATOM 459 O GLU A 31 7.171 1.299 1.251 1.00 0.50 O ATOM 460 CB GLU A 31 7.752 2.301 -1.737 1.00 0.68 C ATOM 461 CG GLU A 31 8.807 3.056 -2.547 1.00 0.85 C ATOM 462 CD GLU A 31 8.155 3.897 -3.647 1.00 0.78 C ATOM 463 OE1 GLU A 31 7.309 4.743 -3.288 1.00 1.97 O ATOM 464 OE2 GLU A 31 8.519 3.674 -4.822 1.00 1.86 O ATOM 0 H GLU A 31 8.795 0.204 -2.567 1.00 0.56 H new ATOM 0 HA GLU A 31 9.189 1.785 -0.252 1.00 0.57 H new ATOM 0 HB2 GLU A 31 7.061 1.798 -2.413 1.00 0.68 H new ATOM 0 HB3 GLU A 31 7.166 3.007 -1.149 1.00 0.68 H new ATOM 0 HG2 GLU A 31 9.386 3.701 -1.886 1.00 0.85 H new ATOM 0 HG3 GLU A 31 9.505 2.347 -2.992 1.00 0.85 H new ATOM 471 N LEU A 32 6.797 -0.410 -0.183 1.00 0.44 N ATOM 472 CA LEU A 32 5.811 -1.054 0.667 1.00 0.44 C ATOM 473 C LEU A 32 6.478 -1.495 1.971 1.00 0.42 C ATOM 474 O LEU A 32 5.975 -1.211 3.057 1.00 0.45 O ATOM 475 CB LEU A 32 5.117 -2.192 -0.085 1.00 0.56 C ATOM 476 CG LEU A 32 4.285 -3.151 0.770 1.00 0.86 C ATOM 477 CD1 LEU A 32 5.186 -4.087 1.578 1.00 2.75 C ATOM 478 CD2 LEU A 32 3.308 -2.383 1.662 1.00 1.62 C ATOM 0 H LEU A 32 6.981 -0.892 -1.063 1.00 0.44 H new ATOM 0 HA LEU A 32 5.022 -0.352 0.934 1.00 0.44 H new ATOM 0 HB2 LEU A 32 4.467 -1.756 -0.844 1.00 0.56 H new ATOM 0 HB3 LEU A 32 5.877 -2.771 -0.610 1.00 0.56 H new ATOM 0 HG LEU A 32 3.689 -3.774 0.103 1.00 0.86 H new ATOM 0 HD11 LEU A 32 4.570 -4.758 2.177 1.00 2.75 H new ATOM 0 HD12 LEU A 32 5.805 -4.672 0.898 1.00 2.75 H new ATOM 0 HD13 LEU A 32 5.826 -3.498 2.235 1.00 2.75 H new ATOM 0 HD21 LEU A 32 2.729 -3.088 2.259 1.00 1.62 H new ATOM 0 HD22 LEU A 32 3.864 -1.719 2.323 1.00 1.62 H new ATOM 0 HD23 LEU A 32 2.633 -1.795 1.040 1.00 1.62 H new ATOM 490 N GLY A 33 7.601 -2.183 1.821 1.00 0.45 N ATOM 491 CA GLY A 33 8.342 -2.667 2.973 1.00 0.48 C ATOM 492 C GLY A 33 9.028 -1.513 3.707 1.00 0.51 C ATOM 493 O GLY A 33 9.378 -1.639 4.880 1.00 0.63 O ATOM 0 H GLY A 33 8.015 -2.417 0.919 1.00 0.45 H new ATOM 0 HA2 GLY A 33 7.666 -3.185 3.653 1.00 0.48 H new ATOM 0 HA3 GLY A 33 9.088 -3.393 2.651 1.00 0.48 H new ATOM 497 N THR A 34 9.199 -0.414 2.987 1.00 0.43 N ATOM 498 CA THR A 34 9.836 0.762 3.556 1.00 0.47 C ATOM 499 C THR A 34 8.923 1.414 4.596 1.00 0.46 C ATOM 500 O THR A 34 9.285 1.518 5.767 1.00 0.52 O ATOM 501 CB THR A 34 10.213 1.698 2.406 1.00 0.53 C ATOM 502 OG1 THR A 34 11.181 0.963 1.662 1.00 0.64 O ATOM 503 CG2 THR A 34 10.973 2.937 2.884 1.00 0.52 C ATOM 0 H THR A 34 8.908 -0.313 2.015 1.00 0.43 H new ATOM 0 HA THR A 34 10.748 0.497 4.092 1.00 0.47 H new ATOM 0 HB THR A 34 9.310 2.007 1.879 1.00 0.53 H new ATOM 0 HG1 THR A 34 10.752 0.555 0.881 1.00 0.64 H new ATOM 0 HG21 THR A 34 11.216 3.567 2.029 1.00 0.52 H new ATOM 0 HG22 THR A 34 10.352 3.498 3.583 1.00 0.52 H new ATOM 0 HG23 THR A 34 11.893 2.630 3.382 1.00 0.52 H new ATOM 511 N VAL A 35 7.757 1.836 4.130 1.00 0.54 N ATOM 512 CA VAL A 35 6.788 2.474 5.005 1.00 0.61 C ATOM 513 C VAL A 35 6.582 1.608 6.249 1.00 0.61 C ATOM 514 O VAL A 35 6.425 2.128 7.353 1.00 0.63 O ATOM 515 CB VAL A 35 5.490 2.743 4.242 1.00 0.66 C ATOM 516 CG1 VAL A 35 4.655 1.467 4.115 1.00 1.78 C ATOM 517 CG2 VAL A 35 4.685 3.861 4.906 1.00 1.56 C ATOM 0 H VAL A 35 7.461 1.749 3.158 1.00 0.54 H new ATOM 0 HA VAL A 35 7.158 3.443 5.341 1.00 0.61 H new ATOM 0 HB VAL A 35 5.754 3.072 3.237 1.00 0.66 H new ATOM 0 HG11 VAL A 35 3.737 1.685 3.569 1.00 1.78 H new ATOM 0 HG12 VAL A 35 5.226 0.710 3.577 1.00 1.78 H new ATOM 0 HG13 VAL A 35 4.406 1.095 5.109 1.00 1.78 H new ATOM 0 HG21 VAL A 35 3.767 4.032 4.343 1.00 1.56 H new ATOM 0 HG22 VAL A 35 4.436 3.573 5.927 1.00 1.56 H new ATOM 0 HG23 VAL A 35 5.277 4.776 4.921 1.00 1.56 H new ATOM 527 N MET A 36 6.590 0.302 6.030 1.00 0.74 N ATOM 528 CA MET A 36 6.406 -0.642 7.119 1.00 0.78 C ATOM 529 C MET A 36 7.319 -0.301 8.299 1.00 0.82 C ATOM 530 O MET A 36 6.849 -0.135 9.424 1.00 0.82 O ATOM 531 CB MET A 36 6.715 -2.057 6.627 1.00 0.94 C ATOM 532 CG MET A 36 5.642 -2.544 5.651 1.00 0.95 C ATOM 533 SD MET A 36 4.305 -3.314 6.548 1.00 1.10 S ATOM 534 CE MET A 36 2.980 -2.183 6.161 1.00 1.81 C ATOM 0 H MET A 36 6.721 -0.126 5.113 1.00 0.74 H new ATOM 0 HA MET A 36 5.371 -0.583 7.455 1.00 0.78 H new ATOM 0 HB2 MET A 36 7.689 -2.072 6.139 1.00 0.94 H new ATOM 0 HB3 MET A 36 6.774 -2.737 7.477 1.00 0.94 H new ATOM 0 HG2 MET A 36 5.263 -1.706 5.066 1.00 0.95 H new ATOM 0 HG3 MET A 36 6.075 -3.254 4.947 1.00 0.95 H new ATOM 0 HE1 MET A 36 2.063 -2.517 6.646 1.00 1.81 H new ATOM 0 HE2 MET A 36 3.237 -1.186 6.519 1.00 1.81 H new ATOM 0 HE3 MET A 36 2.830 -2.154 5.082 1.00 1.81 H new ATOM 544 N ARG A 37 8.607 -0.207 8.003 1.00 0.93 N ATOM 545 CA ARG A 37 9.589 0.111 9.025 1.00 1.07 C ATOM 546 C ARG A 37 9.207 1.407 9.743 1.00 1.04 C ATOM 547 O ARG A 37 9.539 1.594 10.913 1.00 1.26 O ATOM 548 CB ARG A 37 10.985 0.264 8.419 1.00 1.33 C ATOM 549 CG ARG A 37 11.197 1.680 7.879 1.00 2.98 C ATOM 550 CD ARG A 37 11.884 2.566 8.920 1.00 3.99 C ATOM 551 NE ARG A 37 12.022 3.944 8.399 1.00 5.33 N ATOM 552 CZ ARG A 37 12.154 5.030 9.173 1.00 6.73 C ATOM 553 NH1 ARG A 37 12.165 4.905 10.507 1.00 7.17 N ATOM 554 NH2 ARG A 37 12.274 6.242 8.613 1.00 8.00 N ATOM 0 H ARG A 37 8.993 -0.346 7.069 1.00 0.93 H new ATOM 0 HA ARG A 37 9.604 -0.713 9.738 1.00 1.07 H new ATOM 0 HB2 ARG A 37 11.739 0.042 9.174 1.00 1.33 H new ATOM 0 HB3 ARG A 37 11.117 -0.459 7.614 1.00 1.33 H new ATOM 0 HG2 ARG A 37 11.802 1.641 6.973 1.00 2.98 H new ATOM 0 HG3 ARG A 37 10.237 2.115 7.602 1.00 2.98 H new ATOM 0 HD2 ARG A 37 11.304 2.574 9.843 1.00 3.99 H new ATOM 0 HD3 ARG A 37 12.866 2.160 9.164 1.00 3.99 H new ATOM 0 HE ARG A 37 12.016 4.076 7.388 1.00 5.33 H new ATOM 0 HH11 ARG A 37 12.073 3.983 10.934 1.00 7.17 H new ATOM 0 HH12 ARG A 37 12.266 5.732 11.096 1.00 7.17 H new ATOM 0 HH21 ARG A 37 12.265 6.338 7.598 1.00 8.00 H new ATOM 0 HH22 ARG A 37 12.374 7.068 9.202 1.00 8.00 H new ATOM 568 N SER A 38 8.515 2.269 9.013 1.00 0.88 N ATOM 569 CA SER A 38 8.085 3.542 9.565 1.00 1.05 C ATOM 570 C SER A 38 6.975 3.317 10.594 1.00 1.09 C ATOM 571 O SER A 38 6.802 4.119 11.511 1.00 1.34 O ATOM 572 CB SER A 38 7.603 4.486 8.462 1.00 1.07 C ATOM 573 OG SER A 38 8.235 5.761 8.537 1.00 1.43 O ATOM 0 H SER A 38 8.241 2.111 8.043 1.00 0.88 H new ATOM 0 HA SER A 38 8.939 4.008 10.057 1.00 1.05 H new ATOM 0 HB2 SER A 38 7.804 4.039 7.489 1.00 1.07 H new ATOM 0 HB3 SER A 38 6.523 4.612 8.539 1.00 1.07 H new ATOM 0 HG SER A 38 7.902 6.334 7.815 1.00 1.43 H new ATOM 579 N LEU A 39 6.251 2.223 10.408 1.00 0.95 N ATOM 580 CA LEU A 39 5.163 1.883 11.308 1.00 1.15 C ATOM 581 C LEU A 39 5.714 1.076 12.485 1.00 1.26 C ATOM 582 O LEU A 39 5.428 1.383 13.641 1.00 1.79 O ATOM 583 CB LEU A 39 4.040 1.174 10.548 1.00 1.20 C ATOM 584 CG LEU A 39 3.235 2.041 9.578 1.00 1.23 C ATOM 585 CD1 LEU A 39 2.873 1.258 8.314 1.00 1.71 C ATOM 586 CD2 LEU A 39 2.000 2.628 10.262 1.00 1.63 C ATOM 0 H LEU A 39 6.397 1.560 9.646 1.00 0.95 H new ATOM 0 HA LEU A 39 4.715 2.786 11.722 1.00 1.15 H new ATOM 0 HB2 LEU A 39 4.474 0.345 9.989 1.00 1.20 H new ATOM 0 HB3 LEU A 39 3.352 0.743 11.275 1.00 1.20 H new ATOM 0 HG LEU A 39 3.860 2.879 9.270 1.00 1.23 H new ATOM 0 HD11 LEU A 39 2.301 1.897 7.641 1.00 1.71 H new ATOM 0 HD12 LEU A 39 3.785 0.930 7.815 1.00 1.71 H new ATOM 0 HD13 LEU A 39 2.275 0.388 8.584 1.00 1.71 H new ATOM 0 HD21 LEU A 39 1.446 3.240 9.550 1.00 1.63 H new ATOM 0 HD22 LEU A 39 1.362 1.819 10.618 1.00 1.63 H new ATOM 0 HD23 LEU A 39 2.310 3.244 11.106 1.00 1.63 H new ATOM 598 N GLY A 40 6.495 0.059 12.150 1.00 1.24 N ATOM 599 CA GLY A 40 7.088 -0.794 13.165 1.00 1.35 C ATOM 600 C GLY A 40 7.222 -2.233 12.662 1.00 1.42 C ATOM 601 O GLY A 40 6.784 -3.170 13.327 1.00 2.48 O ATOM 0 H GLY A 40 6.730 -0.193 11.190 1.00 1.24 H new ATOM 0 HA2 GLY A 40 8.070 -0.409 13.441 1.00 1.35 H new ATOM 0 HA3 GLY A 40 6.474 -0.775 14.065 1.00 1.35 H new ATOM 605 N GLN A 41 7.829 -2.363 11.492 1.00 1.01 N ATOM 606 CA GLN A 41 8.026 -3.671 10.892 1.00 1.07 C ATOM 607 C GLN A 41 9.033 -3.582 9.743 1.00 1.44 C ATOM 608 O GLN A 41 8.965 -2.668 8.923 1.00 2.69 O ATOM 609 CB GLN A 41 6.698 -4.260 10.412 1.00 0.80 C ATOM 610 CG GLN A 41 5.779 -3.166 9.866 1.00 2.25 C ATOM 611 CD GLN A 41 4.559 -2.972 10.770 1.00 2.98 C ATOM 612 OE1 GLN A 41 4.557 -2.170 11.689 1.00 4.31 O ATOM 613 NE2 GLN A 41 3.527 -3.751 10.460 1.00 3.33 N ATOM 0 H GLN A 41 8.191 -1.583 10.943 1.00 1.01 H new ATOM 0 HA GLN A 41 8.429 -4.340 11.652 1.00 1.07 H new ATOM 0 HB2 GLN A 41 6.885 -5.003 9.637 1.00 0.80 H new ATOM 0 HB3 GLN A 41 6.206 -4.776 11.236 1.00 0.80 H new ATOM 0 HG2 GLN A 41 6.330 -2.229 9.787 1.00 2.25 H new ATOM 0 HG3 GLN A 41 5.452 -3.429 8.860 1.00 2.25 H new ATOM 0 HE21 GLN A 41 3.596 -4.401 9.677 1.00 3.33 H new ATOM 0 HE22 GLN A 41 2.666 -3.698 11.005 1.00 3.33 H new ATOM 622 N ASN A 42 9.944 -4.544 9.721 1.00 0.90 N ATOM 623 CA ASN A 42 10.963 -4.586 8.686 1.00 1.03 C ATOM 624 C ASN A 42 10.970 -5.973 8.039 1.00 0.91 C ATOM 625 O ASN A 42 11.925 -6.732 8.200 1.00 1.08 O ATOM 626 CB ASN A 42 12.353 -4.330 9.272 1.00 1.49 C ATOM 627 CG ASN A 42 13.094 -3.253 8.476 1.00 2.14 C ATOM 628 OD1 ASN A 42 13.949 -3.532 7.652 1.00 2.82 O ATOM 629 ND2 ASN A 42 12.718 -2.011 8.768 1.00 2.15 N ATOM 0 H ASN A 42 9.998 -5.300 10.403 1.00 0.90 H new ATOM 0 HA ASN A 42 10.732 -3.813 7.953 1.00 1.03 H new ATOM 0 HB2 ASN A 42 12.261 -4.019 10.313 1.00 1.49 H new ATOM 0 HB3 ASN A 42 12.930 -5.254 9.265 1.00 1.49 H new ATOM 0 HD21 ASN A 42 13.152 -1.221 8.291 1.00 2.15 H new ATOM 0 HD22 ASN A 42 11.995 -1.848 9.469 1.00 2.15 H new ATOM 636 N PRO A 43 9.867 -6.269 7.302 1.00 0.76 N ATOM 637 CA PRO A 43 9.737 -7.551 6.630 1.00 0.84 C ATOM 638 C PRO A 43 10.626 -7.610 5.386 1.00 0.81 C ATOM 639 O PRO A 43 11.433 -6.712 5.153 1.00 0.81 O ATOM 640 CB PRO A 43 8.257 -7.679 6.309 1.00 0.95 C ATOM 641 CG PRO A 43 7.689 -6.272 6.393 1.00 0.89 C ATOM 642 CD PRO A 43 8.717 -5.395 7.089 1.00 0.77 C ATOM 0 HA PRO A 43 10.070 -8.385 7.247 1.00 0.84 H new ATOM 0 HB2 PRO A 43 8.108 -8.102 5.315 1.00 0.95 H new ATOM 0 HB3 PRO A 43 7.760 -8.344 7.016 1.00 0.95 H new ATOM 0 HG2 PRO A 43 7.472 -5.888 5.396 1.00 0.89 H new ATOM 0 HG3 PRO A 43 6.750 -6.272 6.946 1.00 0.89 H new ATOM 0 HD2 PRO A 43 8.983 -4.534 6.476 1.00 0.77 H new ATOM 0 HD3 PRO A 43 8.333 -5.008 8.033 1.00 0.77 H new ATOM 650 N THR A 44 10.448 -8.677 4.621 1.00 0.81 N ATOM 651 CA THR A 44 11.224 -8.865 3.407 1.00 0.79 C ATOM 652 C THR A 44 10.354 -8.611 2.174 1.00 0.71 C ATOM 653 O THR A 44 9.183 -8.985 2.148 1.00 0.76 O ATOM 654 CB THR A 44 11.828 -10.270 3.445 1.00 0.89 C ATOM 655 OG1 THR A 44 10.843 -11.054 4.113 1.00 0.94 O ATOM 656 CG2 THR A 44 13.054 -10.356 4.357 1.00 1.02 C ATOM 0 H THR A 44 9.778 -9.420 4.818 1.00 0.81 H new ATOM 0 HA THR A 44 12.041 -8.146 3.344 1.00 0.79 H new ATOM 0 HB THR A 44 12.105 -10.573 2.435 1.00 0.89 H new ATOM 0 HG1 THR A 44 11.153 -11.981 4.180 1.00 0.94 H new ATOM 0 HG21 THR A 44 13.444 -11.374 4.348 1.00 1.02 H new ATOM 0 HG22 THR A 44 13.822 -9.670 4.000 1.00 1.02 H new ATOM 0 HG23 THR A 44 12.771 -10.085 5.374 1.00 1.02 H new ATOM 664 N GLU A 45 10.962 -7.976 1.182 1.00 0.64 N ATOM 665 CA GLU A 45 10.258 -7.667 -0.051 1.00 0.57 C ATOM 666 C GLU A 45 9.727 -8.950 -0.695 1.00 0.55 C ATOM 667 O GLU A 45 8.820 -8.903 -1.525 1.00 0.51 O ATOM 668 CB GLU A 45 11.160 -6.900 -1.020 1.00 0.58 C ATOM 669 CG GLU A 45 12.356 -7.753 -1.447 1.00 0.62 C ATOM 670 CD GLU A 45 12.088 -8.443 -2.786 1.00 2.39 C ATOM 671 OE1 GLU A 45 11.208 -9.331 -2.800 1.00 3.94 O ATOM 672 OE2 GLU A 45 12.769 -8.067 -3.765 1.00 3.22 O ATOM 0 H GLU A 45 11.934 -7.667 1.207 1.00 0.64 H new ATOM 0 HA GLU A 45 9.410 -7.026 0.189 1.00 0.57 H new ATOM 0 HB2 GLU A 45 10.587 -6.604 -1.899 1.00 0.58 H new ATOM 0 HB3 GLU A 45 11.513 -5.984 -0.546 1.00 0.58 H new ATOM 0 HG2 GLU A 45 13.244 -7.126 -1.528 1.00 0.62 H new ATOM 0 HG3 GLU A 45 12.564 -8.502 -0.683 1.00 0.62 H new ATOM 679 N ALA A 46 10.315 -10.065 -0.288 1.00 0.59 N ATOM 680 CA ALA A 46 9.912 -11.358 -0.814 1.00 0.60 C ATOM 681 C ALA A 46 8.519 -11.708 -0.287 1.00 0.62 C ATOM 682 O ALA A 46 7.586 -11.894 -1.066 1.00 0.58 O ATOM 683 CB ALA A 46 10.959 -12.410 -0.440 1.00 0.69 C ATOM 0 H ALA A 46 11.067 -10.100 0.400 1.00 0.59 H new ATOM 0 HA ALA A 46 9.854 -11.328 -1.902 1.00 0.60 H new ATOM 0 HB1 ALA A 46 10.657 -13.380 -0.834 1.00 0.69 H new ATOM 0 HB2 ALA A 46 11.923 -12.130 -0.864 1.00 0.69 H new ATOM 0 HB3 ALA A 46 11.043 -12.470 0.645 1.00 0.69 H new ATOM 689 N GLU A 47 8.424 -11.787 1.032 1.00 0.71 N ATOM 690 CA GLU A 47 7.160 -12.111 1.673 1.00 0.77 C ATOM 691 C GLU A 47 6.067 -11.147 1.207 1.00 0.72 C ATOM 692 O GLU A 47 4.939 -11.563 0.946 1.00 0.76 O ATOM 693 CB GLU A 47 7.297 -12.090 3.196 1.00 0.88 C ATOM 694 CG GLU A 47 7.743 -13.455 3.726 1.00 0.86 C ATOM 695 CD GLU A 47 6.714 -14.026 4.704 1.00 1.07 C ATOM 696 OE1 GLU A 47 6.540 -13.402 5.773 1.00 2.64 O ATOM 697 OE2 GLU A 47 6.125 -15.073 4.361 1.00 1.88 O ATOM 0 H GLU A 47 9.201 -11.632 1.674 1.00 0.71 H new ATOM 0 HA GLU A 47 6.875 -13.122 1.381 1.00 0.77 H new ATOM 0 HB2 GLU A 47 8.020 -11.328 3.489 1.00 0.88 H new ATOM 0 HB3 GLU A 47 6.343 -11.815 3.647 1.00 0.88 H new ATOM 0 HG2 GLU A 47 7.881 -14.145 2.894 1.00 0.86 H new ATOM 0 HG3 GLU A 47 8.708 -13.358 4.223 1.00 0.86 H new ATOM 704 N LEU A 48 6.439 -9.879 1.117 1.00 0.65 N ATOM 705 CA LEU A 48 5.504 -8.853 0.688 1.00 0.62 C ATOM 706 C LEU A 48 5.206 -9.032 -0.802 1.00 0.56 C ATOM 707 O LEU A 48 4.124 -8.679 -1.270 1.00 0.62 O ATOM 708 CB LEU A 48 6.031 -7.463 1.047 1.00 0.58 C ATOM 709 CG LEU A 48 5.846 -7.030 2.502 1.00 0.68 C ATOM 710 CD1 LEU A 48 4.361 -6.934 2.861 1.00 0.74 C ATOM 711 CD2 LEU A 48 6.606 -7.958 3.452 1.00 0.75 C ATOM 0 H LEU A 48 7.376 -9.538 1.334 1.00 0.65 H new ATOM 0 HA LEU A 48 4.557 -8.955 1.218 1.00 0.62 H new ATOM 0 HB2 LEU A 48 7.094 -7.427 0.811 1.00 0.58 H new ATOM 0 HB3 LEU A 48 5.537 -6.733 0.406 1.00 0.58 H new ATOM 0 HG LEU A 48 6.271 -6.033 2.618 1.00 0.68 H new ATOM 0 HD11 LEU A 48 4.257 -6.624 3.901 1.00 0.74 H new ATOM 0 HD12 LEU A 48 3.877 -6.202 2.214 1.00 0.74 H new ATOM 0 HD13 LEU A 48 3.890 -7.907 2.724 1.00 0.74 H new ATOM 0 HD21 LEU A 48 6.457 -7.627 4.480 1.00 0.75 H new ATOM 0 HD22 LEU A 48 6.234 -8.976 3.341 1.00 0.75 H new ATOM 0 HD23 LEU A 48 7.669 -7.932 3.213 1.00 0.75 H new ATOM 723 N GLN A 49 6.185 -9.581 -1.507 1.00 0.49 N ATOM 724 CA GLN A 49 6.042 -9.811 -2.934 1.00 0.43 C ATOM 725 C GLN A 49 4.689 -10.459 -3.234 1.00 0.38 C ATOM 726 O GLN A 49 4.034 -10.113 -4.216 1.00 0.34 O ATOM 727 CB GLN A 49 7.191 -10.667 -3.470 1.00 0.47 C ATOM 728 CG GLN A 49 7.259 -10.601 -4.997 1.00 0.48 C ATOM 729 CD GLN A 49 8.331 -11.547 -5.540 1.00 0.79 C ATOM 730 OE1 GLN A 49 8.130 -12.744 -5.673 1.00 2.08 O ATOM 731 NE2 GLN A 49 9.478 -10.947 -5.845 1.00 1.55 N ATOM 0 H GLN A 49 7.081 -9.873 -1.116 1.00 0.49 H new ATOM 0 HA GLN A 49 6.083 -8.848 -3.443 1.00 0.43 H new ATOM 0 HB2 GLN A 49 8.134 -10.323 -3.045 1.00 0.47 H new ATOM 0 HB3 GLN A 49 7.057 -11.701 -3.153 1.00 0.47 H new ATOM 0 HG2 GLN A 49 6.289 -10.864 -5.419 1.00 0.48 H new ATOM 0 HG3 GLN A 49 7.477 -9.580 -5.311 1.00 0.48 H new ATOM 0 HE21 GLN A 49 9.579 -9.941 -5.709 1.00 1.55 H new ATOM 0 HE22 GLN A 49 10.256 -11.493 -6.215 1.00 1.55 H new ATOM 740 N ASP A 50 4.309 -11.389 -2.370 1.00 0.43 N ATOM 741 CA ASP A 50 3.046 -12.089 -2.530 1.00 0.42 C ATOM 742 C ASP A 50 1.896 -11.140 -2.189 1.00 0.51 C ATOM 743 O ASP A 50 0.813 -11.239 -2.765 1.00 0.54 O ATOM 744 CB ASP A 50 2.961 -13.293 -1.589 1.00 0.49 C ATOM 745 CG ASP A 50 1.809 -14.258 -1.877 1.00 0.63 C ATOM 746 OD1 ASP A 50 0.974 -13.905 -2.738 1.00 1.57 O ATOM 747 OD2 ASP A 50 1.789 -15.327 -1.229 1.00 2.02 O ATOM 0 H ASP A 50 4.854 -11.674 -1.556 1.00 0.43 H new ATOM 0 HA ASP A 50 2.979 -12.433 -3.562 1.00 0.42 H new ATOM 0 HB2 ASP A 50 3.900 -13.845 -1.643 1.00 0.49 H new ATOM 0 HB3 ASP A 50 2.864 -12.930 -0.566 1.00 0.49 H new ATOM 752 N MET A 51 2.169 -10.242 -1.254 1.00 0.61 N ATOM 753 CA MET A 51 1.170 -9.276 -0.830 1.00 0.74 C ATOM 754 C MET A 51 0.914 -8.236 -1.922 1.00 0.74 C ATOM 755 O MET A 51 -0.224 -8.046 -2.350 1.00 0.83 O ATOM 756 CB MET A 51 1.647 -8.573 0.443 1.00 0.86 C ATOM 757 CG MET A 51 0.677 -8.817 1.600 1.00 0.68 C ATOM 758 SD MET A 51 -0.925 -8.132 1.210 1.00 1.58 S ATOM 759 CE MET A 51 -0.621 -6.410 1.569 1.00 3.55 C ATOM 0 H MET A 51 3.068 -10.163 -0.778 1.00 0.61 H new ATOM 0 HA MET A 51 0.238 -9.807 -0.635 1.00 0.74 H new ATOM 0 HB2 MET A 51 2.639 -8.935 0.713 1.00 0.86 H new ATOM 0 HB3 MET A 51 1.738 -7.502 0.259 1.00 0.86 H new ATOM 0 HG2 MET A 51 0.588 -9.886 1.791 1.00 0.68 H new ATOM 0 HG3 MET A 51 1.064 -8.362 2.512 1.00 0.68 H new ATOM 0 HE1 MET A 51 -1.455 -6.005 2.142 1.00 3.55 H new ATOM 0 HE2 MET A 51 0.297 -6.316 2.149 1.00 3.55 H new ATOM 0 HE3 MET A 51 -0.519 -5.856 0.636 1.00 3.55 H new ATOM 769 N ILE A 52 1.991 -7.590 -2.344 1.00 0.67 N ATOM 770 CA ILE A 52 1.897 -6.574 -3.378 1.00 0.68 C ATOM 771 C ILE A 52 1.161 -7.152 -4.589 1.00 0.65 C ATOM 772 O ILE A 52 0.433 -6.437 -5.276 1.00 0.66 O ATOM 773 CB ILE A 52 3.283 -6.017 -3.709 1.00 0.61 C ATOM 774 CG1 ILE A 52 4.242 -7.138 -4.117 1.00 0.49 C ATOM 775 CG2 ILE A 52 3.833 -5.187 -2.547 1.00 0.69 C ATOM 776 CD1 ILE A 52 4.199 -7.373 -5.628 1.00 0.45 C ATOM 0 H ILE A 52 2.933 -7.751 -1.988 1.00 0.67 H new ATOM 0 HA ILE A 52 1.313 -5.724 -3.025 1.00 0.68 H new ATOM 0 HB ILE A 52 3.186 -5.349 -4.565 1.00 0.61 H new ATOM 0 HG12 ILE A 52 5.257 -6.881 -3.814 1.00 0.49 H new ATOM 0 HG13 ILE A 52 3.976 -8.057 -3.595 1.00 0.49 H new ATOM 0 HG21 ILE A 52 4.819 -4.803 -2.809 1.00 0.69 H new ATOM 0 HG22 ILE A 52 3.161 -4.353 -2.345 1.00 0.69 H new ATOM 0 HG23 ILE A 52 3.912 -5.813 -1.658 1.00 0.69 H new ATOM 0 HD11 ILE A 52 4.889 -8.174 -5.891 1.00 0.45 H new ATOM 0 HD12 ILE A 52 3.188 -7.653 -5.924 1.00 0.45 H new ATOM 0 HD13 ILE A 52 4.489 -6.459 -6.147 1.00 0.45 H new ATOM 788 N ASN A 53 1.377 -8.440 -4.813 1.00 0.68 N ATOM 789 CA ASN A 53 0.743 -9.121 -5.929 1.00 0.71 C ATOM 790 C ASN A 53 -0.764 -9.204 -5.681 1.00 0.76 C ATOM 791 O ASN A 53 -1.552 -9.215 -6.626 1.00 0.80 O ATOM 792 CB ASN A 53 1.276 -10.548 -6.078 1.00 0.77 C ATOM 793 CG ASN A 53 0.775 -11.188 -7.373 1.00 1.41 C ATOM 794 OD1 ASN A 53 -0.315 -10.916 -7.850 1.00 2.30 O ATOM 795 ND2 ASN A 53 1.629 -12.052 -7.915 1.00 1.45 N ATOM 0 H ASN A 53 1.982 -9.030 -4.241 1.00 0.68 H new ATOM 0 HA ASN A 53 0.962 -8.557 -6.836 1.00 0.71 H new ATOM 0 HB2 ASN A 53 2.366 -10.535 -6.073 1.00 0.77 H new ATOM 0 HB3 ASN A 53 0.960 -11.149 -5.225 1.00 0.77 H new ATOM 0 HD21 ASN A 53 1.387 -12.532 -8.782 1.00 1.45 H new ATOM 0 HD22 ASN A 53 2.526 -12.234 -7.464 1.00 1.45 H new ATOM 802 N GLU A 54 -1.120 -9.258 -4.406 1.00 0.80 N ATOM 803 CA GLU A 54 -2.519 -9.339 -4.022 1.00 0.91 C ATOM 804 C GLU A 54 -3.226 -8.013 -4.311 1.00 0.86 C ATOM 805 O GLU A 54 -4.190 -7.972 -5.074 1.00 0.92 O ATOM 806 CB GLU A 54 -2.662 -9.727 -2.550 1.00 0.99 C ATOM 807 CG GLU A 54 -4.132 -9.927 -2.175 1.00 0.99 C ATOM 808 CD GLU A 54 -4.357 -11.306 -1.552 1.00 1.68 C ATOM 809 OE1 GLU A 54 -3.751 -11.553 -0.487 1.00 3.34 O ATOM 810 OE2 GLU A 54 -5.129 -12.083 -2.154 1.00 1.72 O ATOM 0 H GLU A 54 -0.464 -9.247 -3.625 1.00 0.80 H new ATOM 0 HA GLU A 54 -2.994 -10.119 -4.617 1.00 0.91 H new ATOM 0 HB2 GLU A 54 -2.106 -10.644 -2.356 1.00 0.99 H new ATOM 0 HB3 GLU A 54 -2.225 -8.951 -1.922 1.00 0.99 H new ATOM 0 HG2 GLU A 54 -4.440 -9.152 -1.473 1.00 0.99 H new ATOM 0 HG3 GLU A 54 -4.755 -9.819 -3.063 1.00 0.99 H new ATOM 817 N VAL A 55 -2.719 -6.961 -3.685 1.00 0.79 N ATOM 818 CA VAL A 55 -3.290 -5.637 -3.865 1.00 0.79 C ATOM 819 C VAL A 55 -3.277 -5.278 -5.353 1.00 0.70 C ATOM 820 O VAL A 55 -4.230 -4.689 -5.861 1.00 0.82 O ATOM 821 CB VAL A 55 -2.541 -4.622 -2.999 1.00 0.77 C ATOM 822 CG1 VAL A 55 -2.227 -5.204 -1.619 1.00 0.88 C ATOM 823 CG2 VAL A 55 -1.265 -4.143 -3.695 1.00 0.63 C ATOM 0 H VAL A 55 -1.919 -6.999 -3.053 1.00 0.79 H new ATOM 0 HA VAL A 55 -4.329 -5.622 -3.536 1.00 0.79 H new ATOM 0 HB VAL A 55 -3.191 -3.758 -2.858 1.00 0.77 H new ATOM 0 HG11 VAL A 55 -1.695 -4.462 -1.024 1.00 0.88 H new ATOM 0 HG12 VAL A 55 -3.157 -5.472 -1.117 1.00 0.88 H new ATOM 0 HG13 VAL A 55 -1.606 -6.093 -1.732 1.00 0.88 H new ATOM 0 HG21 VAL A 55 -0.752 -3.422 -3.058 1.00 0.63 H new ATOM 0 HG22 VAL A 55 -0.610 -4.994 -3.881 1.00 0.63 H new ATOM 0 HG23 VAL A 55 -1.523 -3.670 -4.643 1.00 0.63 H new ATOM 833 N ASP A 56 -2.187 -5.648 -6.008 1.00 0.56 N ATOM 834 CA ASP A 56 -2.037 -5.373 -7.427 1.00 0.51 C ATOM 835 C ASP A 56 -3.287 -5.850 -8.169 1.00 0.66 C ATOM 836 O ASP A 56 -3.501 -7.052 -8.323 1.00 0.82 O ATOM 837 CB ASP A 56 -0.831 -6.114 -8.008 1.00 0.56 C ATOM 838 CG ASP A 56 -0.696 -6.036 -9.530 1.00 0.75 C ATOM 839 OD1 ASP A 56 -0.661 -4.895 -10.039 1.00 0.82 O ATOM 840 OD2 ASP A 56 -0.630 -7.119 -10.150 1.00 1.11 O ATOM 0 H ASP A 56 -1.399 -6.136 -5.582 1.00 0.56 H new ATOM 0 HA ASP A 56 -1.893 -4.299 -7.549 1.00 0.51 H new ATOM 0 HB2 ASP A 56 0.076 -5.711 -7.557 1.00 0.56 H new ATOM 0 HB3 ASP A 56 -0.893 -7.163 -7.717 1.00 0.56 H new ATOM 845 N ALA A 57 -4.080 -4.884 -8.609 1.00 0.75 N ATOM 846 CA ALA A 57 -5.303 -5.191 -9.331 1.00 0.96 C ATOM 847 C ALA A 57 -5.097 -4.903 -10.820 1.00 0.98 C ATOM 848 O ALA A 57 -5.202 -5.804 -11.650 1.00 1.02 O ATOM 849 CB ALA A 57 -6.462 -4.388 -8.737 1.00 1.20 C ATOM 0 H ALA A 57 -3.899 -3.889 -8.479 1.00 0.75 H new ATOM 0 HA ALA A 57 -5.553 -6.247 -9.231 1.00 0.96 H new ATOM 0 HB1 ALA A 57 -7.379 -4.618 -9.279 1.00 1.20 H new ATOM 0 HB2 ALA A 57 -6.585 -4.650 -7.686 1.00 1.20 H new ATOM 0 HB3 ALA A 57 -6.248 -3.323 -8.822 1.00 1.20 H new ATOM 855 N ASP A 58 -4.808 -3.644 -11.112 1.00 0.99 N ATOM 856 CA ASP A 58 -4.586 -3.226 -12.486 1.00 1.04 C ATOM 857 C ASP A 58 -3.766 -4.293 -13.213 1.00 1.01 C ATOM 858 O ASP A 58 -3.897 -4.463 -14.424 1.00 1.10 O ATOM 859 CB ASP A 58 -3.807 -1.910 -12.543 1.00 1.01 C ATOM 860 CG ASP A 58 -3.090 -1.527 -11.247 1.00 1.38 C ATOM 861 OD1 ASP A 58 -3.807 -1.197 -10.278 1.00 2.70 O ATOM 862 OD2 ASP A 58 -1.841 -1.573 -11.254 1.00 1.25 O ATOM 0 H ASP A 58 -4.722 -2.899 -10.421 1.00 0.99 H new ATOM 0 HA ASP A 58 -5.559 -3.089 -12.958 1.00 1.04 H new ATOM 0 HB2 ASP A 58 -3.069 -1.976 -13.343 1.00 1.01 H new ATOM 0 HB3 ASP A 58 -4.496 -1.109 -12.810 1.00 1.01 H new ATOM 867 N GLY A 59 -2.938 -4.984 -12.443 1.00 0.90 N ATOM 868 CA GLY A 59 -2.097 -6.030 -12.999 1.00 0.91 C ATOM 869 C GLY A 59 -0.656 -5.543 -13.168 1.00 0.91 C ATOM 870 O GLY A 59 -0.377 -4.705 -14.024 1.00 1.18 O ATOM 0 H GLY A 59 -2.832 -4.840 -11.439 1.00 0.90 H new ATOM 0 HA2 GLY A 59 -2.116 -6.902 -12.346 1.00 0.91 H new ATOM 0 HA3 GLY A 59 -2.493 -6.346 -13.964 1.00 0.91 H new ATOM 874 N ASP A 60 0.221 -6.090 -12.339 1.00 0.77 N ATOM 875 CA ASP A 60 1.625 -5.721 -12.386 1.00 0.85 C ATOM 876 C ASP A 60 2.332 -6.260 -11.141 1.00 1.00 C ATOM 877 O ASP A 60 3.131 -7.191 -11.230 1.00 1.30 O ATOM 878 CB ASP A 60 1.796 -4.201 -12.406 1.00 0.81 C ATOM 879 CG ASP A 60 0.737 -3.421 -11.623 1.00 1.19 C ATOM 880 OD1 ASP A 60 -0.313 -3.122 -12.232 1.00 1.28 O ATOM 881 OD2 ASP A 60 1.001 -3.142 -10.434 1.00 2.86 O ATOM 0 H ASP A 60 -0.014 -6.786 -11.631 1.00 0.77 H new ATOM 0 HA ASP A 60 2.053 -6.143 -13.295 1.00 0.85 H new ATOM 0 HB2 ASP A 60 2.778 -3.956 -12.003 1.00 0.81 H new ATOM 0 HB3 ASP A 60 1.783 -3.862 -13.442 1.00 0.81 H new ATOM 886 N GLY A 61 2.012 -5.651 -10.008 1.00 0.86 N ATOM 887 CA GLY A 61 2.606 -6.058 -8.746 1.00 0.99 C ATOM 888 C GLY A 61 2.789 -4.859 -7.814 1.00 1.18 C ATOM 889 O GLY A 61 2.516 -4.950 -6.618 1.00 2.54 O ATOM 0 H GLY A 61 1.349 -4.879 -9.938 1.00 0.86 H new ATOM 0 HA2 GLY A 61 1.972 -6.803 -8.265 1.00 0.99 H new ATOM 0 HA3 GLY A 61 3.571 -6.531 -8.930 1.00 0.99 H new ATOM 893 N THR A 62 3.250 -3.762 -8.397 1.00 0.63 N ATOM 894 CA THR A 62 3.473 -2.546 -7.634 1.00 0.66 C ATOM 895 C THR A 62 2.160 -2.051 -7.024 1.00 0.62 C ATOM 896 O THR A 62 1.083 -2.334 -7.547 1.00 0.64 O ATOM 897 CB THR A 62 4.138 -1.523 -8.558 1.00 0.79 C ATOM 898 OG1 THR A 62 5.290 -2.200 -9.053 1.00 0.90 O ATOM 899 CG2 THR A 62 4.709 -0.327 -7.792 1.00 0.81 C ATOM 0 H THR A 62 3.475 -3.690 -9.389 1.00 0.63 H new ATOM 0 HA THR A 62 4.140 -2.725 -6.790 1.00 0.66 H new ATOM 0 HB THR A 62 3.413 -1.172 -9.292 1.00 0.79 H new ATOM 0 HG1 THR A 62 5.780 -1.609 -9.662 1.00 0.90 H new ATOM 0 HG21 THR A 62 5.169 0.368 -8.494 1.00 0.81 H new ATOM 0 HG22 THR A 62 3.906 0.178 -7.255 1.00 0.81 H new ATOM 0 HG23 THR A 62 5.459 -0.675 -7.081 1.00 0.81 H new ATOM 907 N ILE A 63 2.293 -1.320 -5.927 1.00 0.70 N ATOM 908 CA ILE A 63 1.130 -0.783 -5.241 1.00 0.67 C ATOM 909 C ILE A 63 0.805 0.602 -5.805 1.00 0.73 C ATOM 910 O ILE A 63 1.655 1.239 -6.424 1.00 0.97 O ATOM 911 CB ILE A 63 1.349 -0.794 -3.727 1.00 0.66 C ATOM 912 CG1 ILE A 63 1.683 -2.203 -3.231 1.00 0.57 C ATOM 913 CG2 ILE A 63 0.145 -0.200 -2.994 1.00 0.78 C ATOM 914 CD1 ILE A 63 1.394 -2.341 -1.735 1.00 0.59 C ATOM 0 H ILE A 63 3.188 -1.087 -5.496 1.00 0.70 H new ATOM 0 HA ILE A 63 0.258 -1.413 -5.419 1.00 0.67 H new ATOM 0 HB ILE A 63 2.207 -0.161 -3.502 1.00 0.66 H new ATOM 0 HG12 ILE A 63 1.099 -2.936 -3.787 1.00 0.57 H new ATOM 0 HG13 ILE A 63 2.734 -2.421 -3.424 1.00 0.57 H new ATOM 0 HG21 ILE A 63 0.327 -0.220 -1.919 1.00 0.78 H new ATOM 0 HG22 ILE A 63 -0.006 0.830 -3.317 1.00 0.78 H new ATOM 0 HG23 ILE A 63 -0.745 -0.786 -3.222 1.00 0.78 H new ATOM 0 HD11 ILE A 63 1.640 -3.351 -1.409 1.00 0.59 H new ATOM 0 HD12 ILE A 63 1.998 -1.623 -1.180 1.00 0.59 H new ATOM 0 HD13 ILE A 63 0.338 -2.147 -1.549 1.00 0.59 H new ATOM 926 N ASP A 64 -0.428 1.027 -5.570 1.00 0.62 N ATOM 927 CA ASP A 64 -0.876 2.324 -6.047 1.00 0.67 C ATOM 928 C ASP A 64 -1.810 2.949 -5.009 1.00 0.73 C ATOM 929 O ASP A 64 -1.953 2.428 -3.903 1.00 0.99 O ATOM 930 CB ASP A 64 -1.650 2.191 -7.360 1.00 0.66 C ATOM 931 CG ASP A 64 -0.881 1.517 -8.498 1.00 2.04 C ATOM 932 OD1 ASP A 64 -0.037 0.653 -8.179 1.00 3.71 O ATOM 933 OD2 ASP A 64 -1.155 1.881 -9.662 1.00 2.43 O ATOM 0 H ASP A 64 -1.131 0.496 -5.055 1.00 0.62 H new ATOM 0 HA ASP A 64 0.004 2.946 -6.209 1.00 0.67 H new ATOM 0 HB2 ASP A 64 -2.561 1.624 -7.171 1.00 0.66 H new ATOM 0 HB3 ASP A 64 -1.955 3.185 -7.687 1.00 0.66 H new ATOM 938 N PHE A 65 -2.422 4.057 -5.401 1.00 0.57 N ATOM 939 CA PHE A 65 -3.338 4.759 -4.518 1.00 0.62 C ATOM 940 C PHE A 65 -4.639 3.973 -4.342 1.00 0.60 C ATOM 941 O PHE A 65 -5.102 3.775 -3.220 1.00 0.63 O ATOM 942 CB PHE A 65 -3.653 6.103 -5.178 1.00 0.67 C ATOM 943 CG PHE A 65 -3.529 7.302 -4.236 1.00 0.82 C ATOM 944 CD1 PHE A 65 -4.039 7.234 -2.977 1.00 0.39 C ATOM 945 CD2 PHE A 65 -2.909 8.437 -4.658 1.00 1.93 C ATOM 946 CE1 PHE A 65 -3.924 8.347 -2.103 1.00 0.36 C ATOM 947 CE2 PHE A 65 -2.794 9.550 -3.784 1.00 2.11 C ATOM 948 CZ PHE A 65 -3.304 9.481 -2.525 1.00 1.17 C ATOM 0 H PHE A 65 -2.301 4.486 -6.319 1.00 0.57 H new ATOM 0 HA PHE A 65 -2.885 4.885 -3.535 1.00 0.62 H new ATOM 0 HB2 PHE A 65 -2.981 6.247 -6.024 1.00 0.67 H new ATOM 0 HB3 PHE A 65 -4.666 6.071 -5.578 1.00 0.67 H new ATOM 0 HD1 PHE A 65 -4.532 6.333 -2.642 1.00 0.39 H new ATOM 0 HD2 PHE A 65 -2.504 8.491 -5.658 1.00 1.93 H new ATOM 0 HE1 PHE A 65 -4.329 8.293 -1.103 1.00 0.36 H new ATOM 0 HE2 PHE A 65 -2.302 10.451 -4.119 1.00 2.11 H new ATOM 0 HZ PHE A 65 -3.216 10.328 -1.860 1.00 1.17 H new ATOM 958 N PRO A 66 -5.207 3.535 -5.497 1.00 0.60 N ATOM 959 CA PRO A 66 -6.446 2.775 -5.481 1.00 0.62 C ATOM 960 C PRO A 66 -6.202 1.338 -5.016 1.00 0.63 C ATOM 961 O PRO A 66 -7.055 0.741 -4.362 1.00 0.75 O ATOM 962 CB PRO A 66 -6.976 2.857 -6.904 1.00 0.65 C ATOM 963 CG PRO A 66 -5.792 3.261 -7.767 1.00 0.63 C ATOM 964 CD PRO A 66 -4.688 3.751 -6.845 1.00 0.60 C ATOM 0 HA PRO A 66 -7.175 3.173 -4.775 1.00 0.62 H new ATOM 0 HB2 PRO A 66 -7.384 1.898 -7.225 1.00 0.65 H new ATOM 0 HB3 PRO A 66 -7.781 3.587 -6.979 1.00 0.65 H new ATOM 0 HG2 PRO A 66 -5.446 2.415 -8.360 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -6.080 4.045 -8.467 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -3.763 3.198 -7.006 1.00 0.60 H new ATOM 0 HD3 PRO A 66 -4.465 4.804 -7.019 1.00 0.60 H new ATOM 972 N GLU A 67 -5.033 0.825 -5.372 1.00 0.57 N ATOM 973 CA GLU A 67 -4.666 -0.530 -5.000 1.00 0.59 C ATOM 974 C GLU A 67 -4.402 -0.614 -3.495 1.00 0.66 C ATOM 975 O GLU A 67 -4.776 -1.591 -2.849 1.00 0.92 O ATOM 976 CB GLU A 67 -3.451 -1.008 -5.797 1.00 0.52 C ATOM 977 CG GLU A 67 -3.837 -1.335 -7.241 1.00 0.51 C ATOM 978 CD GLU A 67 -2.618 -1.793 -8.044 1.00 0.49 C ATOM 979 OE1 GLU A 67 -1.556 -1.155 -7.878 1.00 1.51 O ATOM 980 OE2 GLU A 67 -2.776 -2.772 -8.806 1.00 1.57 O ATOM 0 H GLU A 67 -4.328 1.324 -5.914 1.00 0.57 H new ATOM 0 HA GLU A 67 -5.499 -1.190 -5.241 1.00 0.59 H new ATOM 0 HB2 GLU A 67 -2.680 -0.238 -5.788 1.00 0.52 H new ATOM 0 HB3 GLU A 67 -3.024 -1.891 -5.322 1.00 0.52 H new ATOM 0 HG2 GLU A 67 -4.597 -2.116 -7.250 1.00 0.51 H new ATOM 0 HG3 GLU A 67 -4.278 -0.456 -7.711 1.00 0.51 H new ATOM 987 N PHE A 68 -3.759 0.424 -2.981 1.00 0.56 N ATOM 988 CA PHE A 68 -3.440 0.481 -1.564 1.00 0.67 C ATOM 989 C PHE A 68 -4.703 0.691 -0.726 1.00 0.74 C ATOM 990 O PHE A 68 -4.868 0.068 0.321 1.00 0.89 O ATOM 991 CB PHE A 68 -2.504 1.674 -1.363 1.00 0.67 C ATOM 992 CG PHE A 68 -2.346 2.102 0.097 1.00 1.36 C ATOM 993 CD1 PHE A 68 -3.384 2.693 0.748 1.00 3.66 C ATOM 994 CD2 PHE A 68 -1.168 1.892 0.744 1.00 0.57 C ATOM 995 CE1 PHE A 68 -3.238 3.090 2.104 1.00 4.57 C ATOM 996 CE2 PHE A 68 -1.022 2.290 2.099 1.00 0.85 C ATOM 997 CZ PHE A 68 -2.060 2.880 2.751 1.00 3.10 C ATOM 0 H PHE A 68 -3.450 1.233 -3.520 1.00 0.56 H new ATOM 0 HA PHE A 68 -2.979 -0.455 -1.249 1.00 0.67 H new ATOM 0 HB2 PHE A 68 -1.522 1.424 -1.766 1.00 0.67 H new ATOM 0 HB3 PHE A 68 -2.880 2.519 -1.940 1.00 0.67 H new ATOM 0 HD1 PHE A 68 -4.319 2.860 0.234 1.00 3.66 H new ATOM 0 HD2 PHE A 68 -0.344 1.423 0.227 1.00 0.57 H new ATOM 0 HE1 PHE A 68 -4.062 3.559 2.621 1.00 4.57 H new ATOM 0 HE2 PHE A 68 -0.086 2.124 2.612 1.00 0.85 H new ATOM 0 HZ PHE A 68 -1.949 3.182 3.782 1.00 3.10 H new ATOM 1007 N LEU A 69 -5.561 1.573 -1.218 1.00 0.65 N ATOM 1008 CA LEU A 69 -6.803 1.874 -0.528 1.00 0.71 C ATOM 1009 C LEU A 69 -7.678 0.619 -0.492 1.00 0.61 C ATOM 1010 O LEU A 69 -8.248 0.285 0.546 1.00 0.52 O ATOM 1011 CB LEU A 69 -7.490 3.084 -1.163 1.00 1.04 C ATOM 1012 CG LEU A 69 -8.558 2.774 -2.215 1.00 1.19 C ATOM 1013 CD1 LEU A 69 -9.860 2.315 -1.555 1.00 1.62 C ATOM 1014 CD2 LEU A 69 -8.777 3.971 -3.143 1.00 2.24 C ATOM 0 H LEU A 69 -5.420 2.089 -2.087 1.00 0.65 H new ATOM 0 HA LEU A 69 -6.605 2.156 0.506 1.00 0.71 H new ATOM 0 HB2 LEU A 69 -7.950 3.673 -0.370 1.00 1.04 H new ATOM 0 HB3 LEU A 69 -6.726 3.710 -1.623 1.00 1.04 H new ATOM 0 HG LEU A 69 -8.201 1.949 -2.832 1.00 1.19 H new ATOM 0 HD11 LEU A 69 -10.602 2.101 -2.324 1.00 1.62 H new ATOM 0 HD12 LEU A 69 -9.674 1.414 -0.970 1.00 1.62 H new ATOM 0 HD13 LEU A 69 -10.233 3.102 -0.900 1.00 1.62 H new ATOM 0 HD21 LEU A 69 -9.540 3.724 -3.881 1.00 2.24 H new ATOM 0 HD22 LEU A 69 -9.103 4.831 -2.557 1.00 2.24 H new ATOM 0 HD23 LEU A 69 -7.844 4.212 -3.653 1.00 2.24 H new ATOM 1026 N THR A 70 -7.758 -0.041 -1.638 1.00 0.76 N ATOM 1027 CA THR A 70 -8.554 -1.252 -1.750 1.00 0.88 C ATOM 1028 C THR A 70 -7.996 -2.344 -0.836 1.00 0.76 C ATOM 1029 O THR A 70 -8.754 -3.120 -0.255 1.00 0.92 O ATOM 1030 CB THR A 70 -8.594 -1.656 -3.225 1.00 1.11 C ATOM 1031 OG1 THR A 70 -9.390 -0.646 -3.840 1.00 1.41 O ATOM 1032 CG2 THR A 70 -9.384 -2.945 -3.458 1.00 1.38 C ATOM 0 H THR A 70 -7.285 0.240 -2.497 1.00 0.76 H new ATOM 0 HA THR A 70 -9.578 -1.085 -1.416 1.00 0.88 H new ATOM 0 HB THR A 70 -7.576 -1.782 -3.594 1.00 1.11 H new ATOM 0 HG1 THR A 70 -8.810 0.073 -4.168 1.00 1.41 H new ATOM 0 HG21 THR A 70 -9.381 -3.186 -4.521 1.00 1.38 H new ATOM 0 HG22 THR A 70 -8.924 -3.760 -2.899 1.00 1.38 H new ATOM 0 HG23 THR A 70 -10.411 -2.808 -3.120 1.00 1.38 H new ATOM 1040 N MET A 71 -6.675 -2.370 -0.736 1.00 0.67 N ATOM 1041 CA MET A 71 -6.006 -3.354 0.098 1.00 0.63 C ATOM 1042 C MET A 71 -6.501 -3.275 1.543 1.00 0.66 C ATOM 1043 O MET A 71 -7.037 -4.246 2.074 1.00 0.86 O ATOM 1044 CB MET A 71 -4.496 -3.113 0.061 1.00 0.55 C ATOM 1045 CG MET A 71 -3.777 -3.976 1.100 1.00 0.68 C ATOM 1046 SD MET A 71 -4.075 -5.705 0.769 1.00 2.75 S ATOM 1047 CE MET A 71 -4.681 -6.226 2.365 1.00 3.71 C ATOM 0 H MET A 71 -6.050 -1.725 -1.219 1.00 0.67 H new ATOM 0 HA MET A 71 -6.234 -4.347 -0.290 1.00 0.63 H new ATOM 0 HB2 MET A 71 -4.112 -3.340 -0.934 1.00 0.55 H new ATOM 0 HB3 MET A 71 -4.287 -2.060 0.251 1.00 0.55 H new ATOM 0 HG2 MET A 71 -2.707 -3.772 1.076 1.00 0.68 H new ATOM 0 HG3 MET A 71 -4.128 -3.723 2.101 1.00 0.68 H new ATOM 0 HE1 MET A 71 -4.192 -7.157 2.654 1.00 3.71 H new ATOM 0 HE2 MET A 71 -4.463 -5.457 3.106 1.00 3.71 H new ATOM 0 HE3 MET A 71 -5.758 -6.383 2.311 1.00 3.71 H new ATOM 1057 N MET A 72 -6.303 -2.108 2.140 1.00 0.57 N ATOM 1058 CA MET A 72 -6.722 -1.889 3.514 1.00 0.69 C ATOM 1059 C MET A 72 -8.213 -2.185 3.686 1.00 0.75 C ATOM 1060 O MET A 72 -8.594 -3.017 4.508 1.00 0.94 O ATOM 1061 CB MET A 72 -6.440 -0.438 3.909 1.00 0.71 C ATOM 1062 CG MET A 72 -5.075 -0.311 4.589 1.00 1.08 C ATOM 1063 SD MET A 72 -5.265 -0.412 6.361 1.00 2.20 S ATOM 1064 CE MET A 72 -4.667 -2.070 6.643 1.00 3.42 C ATOM 0 H MET A 72 -5.858 -1.304 1.697 1.00 0.57 H new ATOM 0 HA MET A 72 -6.160 -2.565 4.158 1.00 0.69 H new ATOM 0 HB2 MET A 72 -6.469 0.196 3.023 1.00 0.71 H new ATOM 0 HB3 MET A 72 -7.220 -0.082 4.582 1.00 0.71 H new ATOM 0 HG2 MET A 72 -4.411 -1.102 4.240 1.00 1.08 H new ATOM 0 HG3 MET A 72 -4.611 0.637 4.318 1.00 1.08 H new ATOM 0 HE1 MET A 72 -4.448 -2.202 7.702 1.00 3.42 H new ATOM 0 HE2 MET A 72 -5.428 -2.788 6.337 1.00 3.42 H new ATOM 0 HE3 MET A 72 -3.760 -2.233 6.061 1.00 3.42 H new ATOM 1074 N ALA A 73 -9.017 -1.487 2.897 1.00 0.66 N ATOM 1075 CA ALA A 73 -10.458 -1.664 2.951 1.00 0.79 C ATOM 1076 C ALA A 73 -10.788 -3.156 2.872 1.00 1.06 C ATOM 1077 O ALA A 73 -11.542 -3.673 3.694 1.00 1.34 O ATOM 1078 CB ALA A 73 -11.114 -0.861 1.826 1.00 0.77 C ATOM 0 H ALA A 73 -8.697 -0.798 2.217 1.00 0.66 H new ATOM 0 HA ALA A 73 -10.855 -1.288 3.894 1.00 0.79 H new ATOM 0 HB1 ALA A 73 -12.195 -0.994 1.867 1.00 0.77 H new ATOM 0 HB2 ALA A 73 -10.874 0.195 1.945 1.00 0.77 H new ATOM 0 HB3 ALA A 73 -10.741 -1.212 0.864 1.00 0.77 H new ATOM 1084 N ARG A 74 -10.206 -3.805 1.874 1.00 1.01 N ATOM 1085 CA ARG A 74 -10.429 -5.227 1.676 1.00 1.29 C ATOM 1086 C ARG A 74 -9.925 -6.017 2.886 1.00 1.38 C ATOM 1087 O ARG A 74 -10.544 -6.998 3.293 1.00 1.68 O ATOM 1088 CB ARG A 74 -9.717 -5.726 0.417 1.00 1.28 C ATOM 1089 CG ARG A 74 -10.542 -5.425 -0.835 1.00 1.33 C ATOM 1090 CD ARG A 74 -11.442 -6.608 -1.197 1.00 1.47 C ATOM 1091 NE ARG A 74 -10.990 -7.218 -2.467 1.00 2.26 N ATOM 1092 CZ ARG A 74 -11.345 -6.776 -3.681 1.00 3.33 C ATOM 1093 NH1 ARG A 74 -12.159 -5.718 -3.798 1.00 4.32 N ATOM 1094 NH2 ARG A 74 -10.886 -7.392 -4.780 1.00 4.39 N ATOM 0 H ARG A 74 -9.581 -3.372 1.194 1.00 1.01 H new ATOM 0 HA ARG A 74 -11.502 -5.381 1.558 1.00 1.29 H new ATOM 0 HB2 ARG A 74 -8.739 -5.251 0.335 1.00 1.28 H new ATOM 0 HB3 ARG A 74 -9.544 -6.800 0.494 1.00 1.28 H new ATOM 0 HG2 ARG A 74 -11.152 -4.537 -0.668 1.00 1.33 H new ATOM 0 HG3 ARG A 74 -9.876 -5.202 -1.669 1.00 1.33 H new ATOM 0 HD2 ARG A 74 -11.419 -7.350 -0.399 1.00 1.47 H new ATOM 0 HD3 ARG A 74 -12.475 -6.274 -1.292 1.00 1.47 H new ATOM 0 HE ARG A 74 -10.369 -8.026 -2.415 1.00 2.26 H new ATOM 0 HH11 ARG A 74 -12.509 -5.249 -2.963 1.00 4.32 H new ATOM 0 HH12 ARG A 74 -12.429 -5.382 -4.722 1.00 4.32 H new ATOM 0 HH21 ARG A 74 -10.266 -8.197 -4.692 1.00 4.39 H new ATOM 0 HH22 ARG A 74 -11.157 -7.055 -5.704 1.00 4.39 H new ATOM 1108 N LYS A 75 -8.805 -5.559 3.426 1.00 1.20 N ATOM 1109 CA LYS A 75 -8.210 -6.210 4.581 1.00 1.39 C ATOM 1110 C LYS A 75 -9.195 -6.164 5.750 1.00 1.50 C ATOM 1111 O LYS A 75 -9.643 -7.204 6.230 1.00 1.87 O ATOM 1112 CB LYS A 75 -6.847 -5.593 4.900 1.00 1.32 C ATOM 1113 CG LYS A 75 -5.895 -6.639 5.485 1.00 1.67 C ATOM 1114 CD LYS A 75 -6.340 -7.062 6.887 1.00 2.77 C ATOM 1115 CE LYS A 75 -6.897 -8.486 6.879 1.00 2.78 C ATOM 1116 NZ LYS A 75 -6.265 -9.296 7.944 1.00 3.71 N ATOM 0 H LYS A 75 -8.294 -4.745 3.085 1.00 1.20 H new ATOM 0 HA LYS A 75 -8.016 -7.261 4.369 1.00 1.39 H new ATOM 0 HB2 LYS A 75 -6.415 -5.169 3.994 1.00 1.32 H new ATOM 0 HB3 LYS A 75 -6.971 -4.773 5.607 1.00 1.32 H new ATOM 0 HG2 LYS A 75 -5.861 -7.511 4.832 1.00 1.67 H new ATOM 0 HG3 LYS A 75 -4.884 -6.233 5.527 1.00 1.67 H new ATOM 0 HD2 LYS A 75 -5.496 -7.002 7.574 1.00 2.77 H new ATOM 0 HD3 LYS A 75 -7.100 -6.373 7.255 1.00 2.77 H new ATOM 0 HE2 LYS A 75 -7.977 -8.461 7.025 1.00 2.78 H new ATOM 0 HE3 LYS A 75 -6.717 -8.948 5.908 1.00 2.78 H new ATOM 0 HZ1 LYS A 75 -6.655 -10.260 7.924 1.00 3.71 H new ATOM 0 HZ2 LYS A 75 -5.238 -9.335 7.787 1.00 3.71 H new ATOM 0 HZ3 LYS A 75 -6.458 -8.863 8.870 1.00 3.71 H new ATOM 1130 N MET A 76 -9.503 -4.947 6.175 1.00 1.24 N ATOM 1131 CA MET A 76 -10.427 -4.752 7.279 1.00 1.37 C ATOM 1132 C MET A 76 -11.813 -5.305 6.940 1.00 1.81 C ATOM 1133 O MET A 76 -12.605 -5.596 7.834 1.00 2.28 O ATOM 1134 CB MET A 76 -10.537 -3.259 7.595 1.00 1.10 C ATOM 1135 CG MET A 76 -11.419 -2.545 6.569 1.00 2.44 C ATOM 1136 SD MET A 76 -12.865 -1.872 7.371 1.00 2.89 S ATOM 1137 CE MET A 76 -14.108 -2.271 6.153 1.00 5.10 C ATOM 0 H MET A 76 -9.129 -4.087 5.775 1.00 1.24 H new ATOM 0 HA MET A 76 -10.045 -5.290 8.147 1.00 1.37 H new ATOM 0 HB2 MET A 76 -10.953 -3.125 8.594 1.00 1.10 H new ATOM 0 HB3 MET A 76 -9.544 -2.811 7.601 1.00 1.10 H new ATOM 0 HG2 MET A 76 -10.856 -1.746 6.086 1.00 2.44 H new ATOM 0 HG3 MET A 76 -11.718 -3.242 5.786 1.00 2.44 H new ATOM 0 HE1 MET A 76 -15.025 -1.727 6.377 1.00 5.10 H new ATOM 0 HE2 MET A 76 -13.751 -1.988 5.163 1.00 5.10 H new ATOM 0 HE3 MET A 76 -14.308 -3.342 6.174 1.00 5.10 H new ATOM 1147 N LYS A 77 -12.062 -5.434 5.645 1.00 1.75 N ATOM 1148 CA LYS A 77 -13.338 -5.948 5.176 1.00 2.23 C ATOM 1149 C LYS A 77 -13.516 -7.386 5.667 1.00 2.58 C ATOM 1150 O LYS A 77 -14.464 -7.686 6.390 1.00 3.06 O ATOM 1151 CB LYS A 77 -13.450 -5.798 3.657 1.00 2.18 C ATOM 1152 CG LYS A 77 -14.738 -6.440 3.137 1.00 2.26 C ATOM 1153 CD LYS A 77 -14.653 -6.698 1.631 1.00 2.69 C ATOM 1154 CE LYS A 77 -15.349 -5.586 0.844 1.00 3.08 C ATOM 1155 NZ LYS A 77 -16.438 -6.144 0.012 1.00 3.70 N ATOM 0 H LYS A 77 -11.402 -5.192 4.906 1.00 1.75 H new ATOM 0 HA LYS A 77 -14.160 -5.365 5.592 1.00 2.23 H new ATOM 0 HB2 LYS A 77 -13.432 -4.741 3.390 1.00 2.18 H new ATOM 0 HB3 LYS A 77 -12.588 -6.262 3.177 1.00 2.18 H new ATOM 0 HG2 LYS A 77 -14.918 -7.379 3.661 1.00 2.26 H new ATOM 0 HG3 LYS A 77 -15.585 -5.788 3.351 1.00 2.26 H new ATOM 0 HD2 LYS A 77 -13.608 -6.763 1.328 1.00 2.69 H new ATOM 0 HD3 LYS A 77 -15.114 -7.658 1.396 1.00 2.69 H new ATOM 0 HE2 LYS A 77 -15.753 -4.843 1.532 1.00 3.08 H new ATOM 0 HE3 LYS A 77 -14.625 -5.073 0.210 1.00 3.08 H new ATOM 0 HZ1 LYS A 77 -16.900 -5.376 -0.516 1.00 3.70 H new ATOM 0 HZ2 LYS A 77 -16.044 -6.836 -0.657 1.00 3.70 H new ATOM 0 HZ3 LYS A 77 -17.136 -6.613 0.623 1.00 3.70 H new ATOM 1169 N ASP A 78 -12.588 -8.237 5.255 1.00 2.47 N ATOM 1170 CA ASP A 78 -12.630 -9.636 5.644 1.00 2.96 C ATOM 1171 C ASP A 78 -12.893 -9.735 7.148 1.00 3.37 C ATOM 1172 O ASP A 78 -13.903 -10.297 7.570 1.00 3.91 O ATOM 1173 CB ASP A 78 -11.299 -10.331 5.349 1.00 2.87 C ATOM 1174 CG ASP A 78 -11.384 -11.503 4.371 1.00 3.37 C ATOM 1175 OD1 ASP A 78 -12.183 -12.422 4.654 1.00 4.26 O ATOM 1176 OD2 ASP A 78 -10.648 -11.455 3.361 1.00 3.42 O ATOM 0 H ASP A 78 -11.802 -7.984 4.656 1.00 2.47 H new ATOM 0 HA ASP A 78 -13.423 -10.121 5.074 1.00 2.96 H new ATOM 0 HB2 ASP A 78 -10.602 -9.594 4.949 1.00 2.87 H new ATOM 0 HB3 ASP A 78 -10.878 -10.691 6.288 1.00 2.87 H new ATOM 1181 N THR A 79 -11.966 -9.182 7.915 1.00 3.14 N ATOM 1182 CA THR A 79 -12.084 -9.201 9.364 1.00 3.51 C ATOM 1183 C THR A 79 -13.351 -8.465 9.805 1.00 3.66 C ATOM 1184 O THR A 79 -14.023 -8.887 10.745 1.00 4.23 O ATOM 1185 CB THR A 79 -10.802 -8.607 9.951 1.00 3.23 C ATOM 1186 OG1 THR A 79 -10.901 -8.878 11.346 1.00 3.73 O ATOM 1187 CG2 THR A 79 -10.773 -7.080 9.869 1.00 3.07 C ATOM 0 H THR A 79 -11.130 -8.718 7.561 1.00 3.14 H new ATOM 0 HA THR A 79 -12.189 -10.219 9.739 1.00 3.51 H new ATOM 0 HB THR A 79 -9.939 -9.015 9.425 1.00 3.23 H new ATOM 0 HG1 THR A 79 -10.109 -8.528 11.804 1.00 3.73 H new ATOM 0 HG21 THR A 79 -9.842 -6.710 10.299 1.00 3.07 H new ATOM 0 HG22 THR A 79 -10.839 -6.770 8.826 1.00 3.07 H new ATOM 0 HG23 THR A 79 -11.617 -6.670 10.423 1.00 3.07 H new