USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.24 (180deg=0.585) USER MOD Single : A 2 GLN : amide:sc= 1.16 K(o=1.2,f=-0.0018) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= 0.403 (180deg=0.172) USER MOD Single : A 7 THR OG1 : rot 136:sc= 0.0347 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 22:sc= 0.0361 USER MOD Single : A 14 THR OG1 : rot 33:sc= 0.191 USER MOD Single : A 20 SER OG : rot -47:sc=0.000763 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00553 USER MOD Single : A 25 ASN : amide:sc=-0.00625 X(o=-0.0063,f=-0.31) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0896 K(o=-0.09,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= -0.425 K(o=-0.42,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.473 K(o=0.47,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 174:sc=-0.00758 USER MOD Single : A 60 ASN : amide:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.834 -8.767 2.754 1.00 12.33 N ATOM 2 CA MET A 1 -12.171 -7.462 2.665 1.00 30.21 C ATOM 3 C MET A 1 -10.651 -7.658 2.593 1.00 0.35 C ATOM 4 O MET A 1 -9.924 -7.030 3.363 1.00 75.54 O ATOM 5 CB MET A 1 -12.550 -6.564 3.864 1.00 74.44 C ATOM 6 CG MET A 1 -14.000 -6.083 3.861 1.00 11.41 C ATOM 7 SD MET A 1 -15.260 -7.338 4.192 1.00 33.22 S ATOM 8 CE MET A 1 -16.749 -6.306 4.269 1.00 62.02 C ATOM 0 H1 MET A 1 -13.767 -8.653 3.198 1.00 12.33 H new ATOM 0 H2 MET A 1 -12.951 -9.163 1.799 1.00 12.33 H new ATOM 0 H3 MET A 1 -12.254 -9.412 3.328 1.00 12.33 H new ATOM 0 HA MET A 1 -12.508 -6.961 1.758 1.00 30.21 H new ATOM 0 HB2 MET A 1 -12.365 -7.114 4.787 1.00 74.44 H new ATOM 0 HB3 MET A 1 -11.892 -5.695 3.873 1.00 74.44 H new ATOM 0 HG2 MET A 1 -14.100 -5.293 4.605 1.00 11.41 H new ATOM 0 HG3 MET A 1 -14.210 -5.635 2.890 1.00 11.41 H new ATOM 0 HE1 MET A 1 -17.617 -6.934 4.468 1.00 62.02 H new ATOM 0 HE2 MET A 1 -16.642 -5.572 5.068 1.00 62.02 H new ATOM 0 HE3 MET A 1 -16.884 -5.791 3.318 1.00 62.02 H new ATOM 18 N GLN A 2 -10.134 -8.505 1.692 1.00 24.20 N ATOM 19 CA GLN A 2 -8.694 -8.748 1.539 1.00 11.32 C ATOM 20 C GLN A 2 -8.245 -8.292 0.151 1.00 2.52 C ATOM 21 O GLN A 2 -9.041 -8.202 -0.782 1.00 54.13 O ATOM 22 CB GLN A 2 -8.270 -10.197 1.869 1.00 70.31 C ATOM 23 CG GLN A 2 -9.317 -11.300 1.649 1.00 42.31 C ATOM 24 CD GLN A 2 -8.766 -12.668 2.040 1.00 71.43 C ATOM 25 OE1 GLN A 2 -8.365 -13.454 1.179 1.00 53.34 O ATOM 26 NE2 GLN A 2 -8.695 -12.976 3.320 1.00 2.14 N ATOM 0 H GLN A 2 -10.708 -9.044 1.044 1.00 24.20 H new ATOM 0 HA GLN A 2 -8.172 -8.149 2.285 1.00 11.32 H new ATOM 0 HB2 GLN A 2 -7.393 -10.438 1.268 1.00 70.31 H new ATOM 0 HB3 GLN A 2 -7.959 -10.229 2.913 1.00 70.31 H new ATOM 0 HG2 GLN A 2 -10.208 -11.082 2.237 1.00 42.31 H new ATOM 0 HG3 GLN A 2 -9.621 -11.313 0.602 1.00 42.31 H new ATOM 0 HE21 GLN A 2 -9.030 -12.317 4.023 1.00 2.14 H new ATOM 0 HE22 GLN A 2 -8.305 -13.873 3.608 1.00 2.14 H new ATOM 35 N ILE A 3 -6.964 -7.968 0.028 1.00 22.32 N ATOM 36 CA ILE A 3 -6.276 -7.490 -1.161 1.00 22.44 C ATOM 37 C ILE A 3 -4.867 -8.087 -1.186 1.00 61.21 C ATOM 38 O ILE A 3 -4.417 -8.738 -0.242 1.00 43.33 O ATOM 39 CB ILE A 3 -6.153 -5.943 -1.138 1.00 13.51 C ATOM 40 CG1 ILE A 3 -5.395 -5.454 0.116 1.00 51.12 C ATOM 41 CG2 ILE A 3 -7.496 -5.202 -1.234 1.00 14.14 C ATOM 42 CD1 ILE A 3 -4.503 -4.253 -0.175 1.00 41.32 C ATOM 0 H ILE A 3 -6.329 -8.039 0.823 1.00 22.32 H new ATOM 0 HA ILE A 3 -6.844 -7.790 -2.041 1.00 22.44 H new ATOM 0 HB ILE A 3 -5.587 -5.701 -2.037 1.00 13.51 H new ATOM 0 HG12 ILE A 3 -6.114 -5.190 0.891 1.00 51.12 H new ATOM 0 HG13 ILE A 3 -4.786 -6.268 0.510 1.00 51.12 H new ATOM 0 HG21 ILE A 3 -7.321 -4.126 -1.211 1.00 14.14 H new ATOM 0 HG22 ILE A 3 -7.993 -5.469 -2.167 1.00 14.14 H new ATOM 0 HG23 ILE A 3 -8.128 -5.484 -0.392 1.00 14.14 H new ATOM 0 HD11 ILE A 3 -3.993 -3.949 0.739 1.00 41.32 H new ATOM 0 HD12 ILE A 3 -3.765 -4.523 -0.930 1.00 41.32 H new ATOM 0 HD13 ILE A 3 -5.113 -3.427 -0.542 1.00 41.32 H new ATOM 54 N PHE A 4 -4.168 -7.853 -2.283 1.00 11.32 N ATOM 55 CA PHE A 4 -2.807 -8.258 -2.525 1.00 75.53 C ATOM 56 C PHE A 4 -2.070 -6.990 -2.920 1.00 50.44 C ATOM 57 O PHE A 4 -2.591 -6.187 -3.702 1.00 4.42 O ATOM 58 CB PHE A 4 -2.705 -9.335 -3.622 1.00 31.11 C ATOM 59 CG PHE A 4 -3.190 -8.962 -5.016 1.00 75.14 C ATOM 60 CD1 PHE A 4 -2.407 -8.149 -5.859 1.00 20.35 C ATOM 61 CD2 PHE A 4 -4.431 -9.435 -5.484 1.00 24.13 C ATOM 62 CE1 PHE A 4 -2.880 -7.764 -7.122 1.00 72.00 C ATOM 63 CE2 PHE A 4 -4.906 -9.052 -6.750 1.00 72.42 C ATOM 64 CZ PHE A 4 -4.139 -8.202 -7.562 1.00 44.30 C ATOM 0 H PHE A 4 -4.566 -7.344 -3.072 1.00 11.32 H new ATOM 0 HA PHE A 4 -2.373 -8.718 -1.637 1.00 75.53 H new ATOM 0 HB2 PHE A 4 -1.661 -9.640 -3.699 1.00 31.11 H new ATOM 0 HB3 PHE A 4 -3.269 -10.207 -3.291 1.00 31.11 H new ATOM 0 HD1 PHE A 4 -1.433 -7.819 -5.529 1.00 20.35 H new ATOM 0 HD2 PHE A 4 -5.021 -10.096 -4.867 1.00 24.13 H new ATOM 0 HE1 PHE A 4 -2.276 -7.131 -7.755 1.00 72.00 H new ATOM 0 HE2 PHE A 4 -5.863 -9.412 -7.099 1.00 72.42 H new ATOM 0 HZ PHE A 4 -4.517 -7.886 -8.523 1.00 44.30 H new ATOM 74 N VAL A 5 -0.868 -6.802 -2.392 1.00 60.41 N ATOM 75 CA VAL A 5 -0.056 -5.650 -2.751 1.00 12.45 C ATOM 76 C VAL A 5 1.060 -6.268 -3.582 1.00 64.30 C ATOM 77 O VAL A 5 1.783 -7.149 -3.111 1.00 51.02 O ATOM 78 CB VAL A 5 0.385 -4.842 -1.525 1.00 24.22 C ATOM 79 CG1 VAL A 5 1.265 -3.686 -2.004 1.00 21.44 C ATOM 80 CG2 VAL A 5 -0.843 -4.259 -0.809 1.00 43.50 C ATOM 0 H VAL A 5 -0.436 -7.431 -1.716 1.00 60.41 H new ATOM 0 HA VAL A 5 -0.583 -4.885 -3.322 1.00 12.45 H new ATOM 0 HB VAL A 5 0.929 -5.489 -0.837 1.00 24.22 H new ATOM 0 HG11 VAL A 5 1.590 -3.097 -1.147 1.00 21.44 H new ATOM 0 HG12 VAL A 5 2.137 -4.084 -2.523 1.00 21.44 H new ATOM 0 HG13 VAL A 5 0.695 -3.053 -2.684 1.00 21.44 H new ATOM 0 HG21 VAL A 5 -0.520 -3.687 0.061 1.00 43.50 H new ATOM 0 HG22 VAL A 5 -1.386 -3.606 -1.492 1.00 43.50 H new ATOM 0 HG23 VAL A 5 -1.496 -5.070 -0.487 1.00 43.50 H new ATOM 90 N LYS A 6 1.209 -5.812 -4.829 1.00 63.42 N ATOM 91 CA LYS A 6 2.211 -6.378 -5.715 1.00 33.12 C ATOM 92 C LYS A 6 3.365 -5.398 -5.805 1.00 73.43 C ATOM 93 O LYS A 6 3.233 -4.255 -6.261 1.00 44.12 O ATOM 94 CB LYS A 6 1.532 -6.705 -7.062 1.00 3.23 C ATOM 95 CG LYS A 6 2.082 -7.987 -7.704 1.00 60.31 C ATOM 96 CD LYS A 6 3.460 -7.816 -8.339 1.00 75.41 C ATOM 97 CE LYS A 6 3.364 -7.062 -9.668 1.00 44.52 C ATOM 98 NZ LYS A 6 4.698 -6.689 -10.169 1.00 11.15 N ATOM 0 H LYS A 6 0.652 -5.061 -5.238 1.00 63.42 H new ATOM 0 HA LYS A 6 2.631 -7.315 -5.349 1.00 33.12 H new ATOM 0 HB2 LYS A 6 0.458 -6.812 -6.907 1.00 3.23 H new ATOM 0 HB3 LYS A 6 1.673 -5.870 -7.748 1.00 3.23 H new ATOM 0 HG2 LYS A 6 2.136 -8.768 -6.945 1.00 60.31 H new ATOM 0 HG3 LYS A 6 1.382 -8.330 -8.465 1.00 60.31 H new ATOM 0 HD2 LYS A 6 4.114 -7.274 -7.656 1.00 75.41 H new ATOM 0 HD3 LYS A 6 3.912 -8.794 -8.504 1.00 75.41 H new ATOM 0 HE2 LYS A 6 2.857 -7.684 -10.406 1.00 44.52 H new ATOM 0 HE3 LYS A 6 2.759 -6.165 -9.537 1.00 44.52 H new ATOM 0 HZ1 LYS A 6 4.614 -5.870 -10.805 1.00 11.15 H new ATOM 0 HZ2 LYS A 6 5.313 -6.443 -9.368 1.00 11.15 H new ATOM 0 HZ3 LYS A 6 5.110 -7.490 -10.689 1.00 11.15 H new ATOM 112 N THR A 7 4.526 -5.890 -5.405 1.00 12.43 N ATOM 113 CA THR A 7 5.772 -5.160 -5.375 1.00 31.01 C ATOM 114 C THR A 7 6.378 -5.086 -6.787 1.00 15.30 C ATOM 115 O THR A 7 6.243 -6.011 -7.589 1.00 64.43 O ATOM 116 CB THR A 7 6.704 -5.880 -4.369 1.00 62.41 C ATOM 117 OG1 THR A 7 5.983 -6.607 -3.382 1.00 11.22 O ATOM 118 CG2 THR A 7 7.595 -4.864 -3.667 1.00 32.31 C ATOM 0 H THR A 7 4.624 -6.852 -5.079 1.00 12.43 H new ATOM 0 HA THR A 7 5.623 -4.130 -5.052 1.00 31.01 H new ATOM 0 HB THR A 7 7.301 -6.587 -4.945 1.00 62.41 H new ATOM 0 HG1 THR A 7 6.396 -7.487 -3.257 1.00 11.22 H new ATOM 0 HG21 THR A 7 8.247 -5.378 -2.961 1.00 32.31 H new ATOM 0 HG22 THR A 7 8.201 -4.340 -4.406 1.00 32.31 H new ATOM 0 HG23 THR A 7 6.975 -4.146 -3.131 1.00 32.31 H new ATOM 126 N LEU A 8 7.108 -4.004 -7.082 1.00 33.24 N ATOM 127 CA LEU A 8 7.755 -3.800 -8.383 1.00 43.53 C ATOM 128 C LEU A 8 8.844 -4.858 -8.607 1.00 31.41 C ATOM 129 O LEU A 8 9.052 -5.284 -9.743 1.00 4.24 O ATOM 130 CB LEU A 8 8.306 -2.362 -8.433 1.00 50.54 C ATOM 131 CG LEU A 8 8.849 -1.868 -9.792 1.00 62.22 C ATOM 132 CD1 LEU A 8 8.801 -0.334 -9.811 1.00 22.10 C ATOM 133 CD2 LEU A 8 10.308 -2.287 -10.025 1.00 55.30 C ATOM 0 H LEU A 8 7.267 -3.242 -6.422 1.00 33.24 H new ATOM 0 HA LEU A 8 7.037 -3.920 -9.195 1.00 43.53 H new ATOM 0 HB2 LEU A 8 7.513 -1.684 -8.118 1.00 50.54 H new ATOM 0 HB3 LEU A 8 9.107 -2.280 -7.698 1.00 50.54 H new ATOM 0 HG LEU A 8 8.231 -2.312 -10.572 1.00 62.22 H new ATOM 0 HD11 LEU A 8 9.182 0.030 -10.765 1.00 22.10 H new ATOM 0 HD12 LEU A 8 7.772 -0.001 -9.680 1.00 22.10 H new ATOM 0 HD13 LEU A 8 9.416 0.059 -9.001 1.00 22.10 H new ATOM 0 HD21 LEU A 8 10.643 -1.916 -10.994 1.00 55.30 H new ATOM 0 HD22 LEU A 8 10.937 -1.869 -9.239 1.00 55.30 H new ATOM 0 HD23 LEU A 8 10.381 -3.374 -10.008 1.00 55.30 H new ATOM 145 N THR A 9 9.507 -5.278 -7.526 1.00 20.23 N ATOM 146 CA THR A 9 10.567 -6.280 -7.456 1.00 15.03 C ATOM 147 C THR A 9 10.408 -6.972 -6.093 1.00 24.32 C ATOM 148 O THR A 9 9.852 -6.362 -5.174 1.00 22.45 O ATOM 149 CB THR A 9 11.959 -5.620 -7.559 1.00 41.04 C ATOM 150 OG1 THR A 9 11.967 -4.489 -8.402 1.00 62.25 O ATOM 151 CG2 THR A 9 13.012 -6.580 -8.113 1.00 61.30 C ATOM 0 H THR A 9 9.297 -4.893 -6.605 1.00 20.23 H new ATOM 0 HA THR A 9 10.490 -6.988 -8.281 1.00 15.03 H new ATOM 0 HB THR A 9 12.196 -5.329 -6.536 1.00 41.04 H new ATOM 0 HG1 THR A 9 12.870 -4.109 -8.431 1.00 62.25 H new ATOM 0 HG21 THR A 9 13.975 -6.072 -8.167 1.00 61.30 H new ATOM 0 HG22 THR A 9 13.095 -7.446 -7.457 1.00 61.30 H new ATOM 0 HG23 THR A 9 12.717 -6.907 -9.110 1.00 61.30 H new ATOM 159 N GLY A 10 10.976 -8.166 -5.911 1.00 31.11 N ATOM 160 CA GLY A 10 10.876 -8.928 -4.669 1.00 11.23 C ATOM 161 C GLY A 10 9.611 -9.785 -4.702 1.00 74.21 C ATOM 162 O GLY A 10 8.827 -9.710 -5.655 1.00 2.11 O ATOM 0 H GLY A 10 11.525 -8.635 -6.632 1.00 31.11 H new ATOM 0 HA2 GLY A 10 11.755 -9.561 -4.546 1.00 11.23 H new ATOM 0 HA3 GLY A 10 10.848 -8.251 -3.815 1.00 11.23 H new ATOM 166 N LYS A 11 9.419 -10.652 -3.706 1.00 44.35 N ATOM 167 CA LYS A 11 8.242 -11.512 -3.638 1.00 34.34 C ATOM 168 C LYS A 11 7.033 -10.639 -3.288 1.00 73.44 C ATOM 169 O LYS A 11 7.176 -9.614 -2.620 1.00 73.14 O ATOM 170 CB LYS A 11 8.487 -12.631 -2.607 1.00 14.20 C ATOM 171 CG LYS A 11 7.615 -13.882 -2.802 1.00 43.03 C ATOM 172 CD LYS A 11 7.977 -14.664 -4.077 1.00 41.11 C ATOM 173 CE LYS A 11 7.325 -16.051 -4.057 1.00 22.33 C ATOM 174 NZ LYS A 11 7.752 -16.896 -5.188 1.00 52.33 N ATOM 0 H LYS A 11 10.071 -10.775 -2.931 1.00 44.35 H new ATOM 0 HA LYS A 11 8.044 -11.998 -4.593 1.00 34.34 H new ATOM 0 HB2 LYS A 11 9.536 -12.925 -2.651 1.00 14.20 H new ATOM 0 HB3 LYS A 11 8.309 -12.232 -1.608 1.00 14.20 H new ATOM 0 HG2 LYS A 11 7.725 -14.535 -1.936 1.00 43.03 H new ATOM 0 HG3 LYS A 11 6.567 -13.586 -2.847 1.00 43.03 H new ATOM 0 HD2 LYS A 11 7.645 -14.112 -4.956 1.00 41.11 H new ATOM 0 HD3 LYS A 11 9.060 -14.765 -4.154 1.00 41.11 H new ATOM 0 HE2 LYS A 11 7.573 -16.551 -3.121 1.00 22.33 H new ATOM 0 HE3 LYS A 11 6.241 -15.939 -4.081 1.00 22.33 H new ATOM 0 HZ1 LYS A 11 7.282 -17.822 -5.126 1.00 52.33 H new ATOM 0 HZ2 LYS A 11 7.492 -16.435 -6.083 1.00 52.33 H new ATOM 0 HZ3 LYS A 11 8.783 -17.028 -5.153 1.00 52.33 H new ATOM 188 N THR A 12 5.851 -11.025 -3.752 1.00 12.52 N ATOM 189 CA THR A 12 4.612 -10.297 -3.512 1.00 74.23 C ATOM 190 C THR A 12 4.134 -10.564 -2.079 1.00 2.32 C ATOM 191 O THR A 12 4.453 -11.609 -1.499 1.00 61.23 O ATOM 192 CB THR A 12 3.615 -10.671 -4.620 1.00 51.42 C ATOM 193 OG1 THR A 12 2.436 -9.908 -4.522 1.00 51.15 O ATOM 194 CG2 THR A 12 3.283 -12.162 -4.667 1.00 74.34 C ATOM 0 H THR A 12 5.725 -11.866 -4.315 1.00 12.52 H new ATOM 0 HA THR A 12 4.742 -9.216 -3.569 1.00 74.23 H new ATOM 0 HB THR A 12 4.117 -10.436 -5.559 1.00 51.42 H new ATOM 0 HG1 THR A 12 2.617 -9.091 -4.012 1.00 51.15 H new ATOM 0 HG21 THR A 12 2.574 -12.352 -5.473 1.00 74.34 H new ATOM 0 HG22 THR A 12 4.195 -12.732 -4.844 1.00 74.34 H new ATOM 0 HG23 THR A 12 2.843 -12.467 -3.717 1.00 74.34 H new ATOM 202 N ILE A 13 3.404 -9.616 -1.485 1.00 11.00 N ATOM 203 CA ILE A 13 2.901 -9.721 -0.122 1.00 63.14 C ATOM 204 C ILE A 13 1.405 -9.405 -0.095 1.00 44.41 C ATOM 205 O ILE A 13 0.947 -8.399 -0.634 1.00 12.30 O ATOM 206 CB ILE A 13 3.790 -8.864 0.814 1.00 1.14 C ATOM 207 CG1 ILE A 13 3.372 -8.979 2.297 1.00 4.12 C ATOM 208 CG2 ILE A 13 3.978 -7.401 0.361 1.00 64.25 C ATOM 209 CD1 ILE A 13 2.285 -8.012 2.784 1.00 61.32 C ATOM 0 H ILE A 13 3.145 -8.745 -1.947 1.00 11.00 H new ATOM 0 HA ILE A 13 2.973 -10.739 0.262 1.00 63.14 H new ATOM 0 HB ILE A 13 4.783 -9.305 0.729 1.00 1.14 H new ATOM 0 HG12 ILE A 13 3.026 -9.997 2.475 1.00 4.12 H new ATOM 0 HG13 ILE A 13 4.259 -8.832 2.913 1.00 4.12 H new ATOM 0 HG21 ILE A 13 4.613 -6.878 1.075 1.00 64.25 H new ATOM 0 HG22 ILE A 13 4.446 -7.382 -0.623 1.00 64.25 H new ATOM 0 HG23 ILE A 13 3.007 -6.908 0.310 1.00 64.25 H new ATOM 0 HD11 ILE A 13 2.082 -8.194 3.839 1.00 61.32 H new ATOM 0 HD12 ILE A 13 2.626 -6.985 2.652 1.00 61.32 H new ATOM 0 HD13 ILE A 13 1.374 -8.169 2.207 1.00 61.32 H new ATOM 221 N THR A 14 0.629 -10.298 0.508 1.00 41.12 N ATOM 222 CA THR A 14 -0.808 -10.164 0.643 1.00 51.23 C ATOM 223 C THR A 14 -1.099 -9.737 2.081 1.00 74.35 C ATOM 224 O THR A 14 -0.456 -10.237 3.011 1.00 5.32 O ATOM 225 CB THR A 14 -1.474 -11.492 0.230 1.00 32.24 C ATOM 226 OG1 THR A 14 -2.873 -11.368 0.303 1.00 22.45 O ATOM 227 CG2 THR A 14 -1.050 -12.710 1.065 1.00 11.42 C ATOM 0 H THR A 14 0.995 -11.154 0.925 1.00 41.12 H new ATOM 0 HA THR A 14 -1.226 -9.401 -0.014 1.00 51.23 H new ATOM 0 HB THR A 14 -1.135 -11.677 -0.789 1.00 32.24 H new ATOM 0 HG1 THR A 14 -3.132 -10.450 0.077 1.00 22.45 H new ATOM 0 HG21 THR A 14 -1.569 -13.598 0.703 1.00 11.42 H new ATOM 0 HG22 THR A 14 0.026 -12.856 0.975 1.00 11.42 H new ATOM 0 HG23 THR A 14 -1.307 -12.541 2.111 1.00 11.42 H new ATOM 235 N LEU A 15 -1.972 -8.743 2.266 1.00 43.35 N ATOM 236 CA LEU A 15 -2.353 -8.286 3.607 1.00 61.40 C ATOM 237 C LEU A 15 -3.842 -7.951 3.691 1.00 4.10 C ATOM 238 O LEU A 15 -4.459 -7.577 2.691 1.00 55.31 O ATOM 239 CB LEU A 15 -1.465 -7.146 4.132 1.00 61.13 C ATOM 240 CG LEU A 15 -1.575 -5.817 3.359 1.00 11.20 C ATOM 241 CD1 LEU A 15 -1.684 -4.637 4.326 1.00 44.22 C ATOM 242 CD2 LEU A 15 -0.354 -5.606 2.459 1.00 44.24 C ATOM 0 H LEU A 15 -2.428 -8.239 1.506 1.00 43.35 H new ATOM 0 HA LEU A 15 -2.176 -9.127 4.278 1.00 61.40 H new ATOM 0 HB2 LEU A 15 -1.718 -6.962 5.176 1.00 61.13 H new ATOM 0 HB3 LEU A 15 -0.426 -7.476 4.109 1.00 61.13 H new ATOM 0 HG LEU A 15 -2.473 -5.870 2.744 1.00 11.20 H new ATOM 0 HD11 LEU A 15 -1.761 -3.709 3.760 1.00 44.22 H new ATOM 0 HD12 LEU A 15 -2.571 -4.757 4.948 1.00 44.22 H new ATOM 0 HD13 LEU A 15 -0.798 -4.603 4.960 1.00 44.22 H new ATOM 0 HD21 LEU A 15 -0.455 -4.662 1.924 1.00 44.24 H new ATOM 0 HD22 LEU A 15 0.548 -5.582 3.070 1.00 44.24 H new ATOM 0 HD23 LEU A 15 -0.285 -6.424 1.742 1.00 44.24 H new ATOM 254 N GLU A 16 -4.399 -7.973 4.902 1.00 41.12 N ATOM 255 CA GLU A 16 -5.804 -7.696 5.174 1.00 12.54 C ATOM 256 C GLU A 16 -5.942 -6.606 6.249 1.00 3.34 C ATOM 257 O GLU A 16 -5.155 -6.570 7.203 1.00 52.25 O ATOM 258 CB GLU A 16 -6.466 -9.022 5.591 1.00 14.50 C ATOM 259 CG GLU A 16 -7.988 -8.908 5.716 1.00 1.34 C ATOM 260 CD GLU A 16 -8.639 -10.269 5.976 1.00 22.40 C ATOM 261 OE1 GLU A 16 -8.612 -10.732 7.138 1.00 13.44 O ATOM 262 OE2 GLU A 16 -9.233 -10.839 5.032 1.00 42.34 O ATOM 0 H GLU A 16 -3.866 -8.191 5.744 1.00 41.12 H new ATOM 0 HA GLU A 16 -6.306 -7.309 4.288 1.00 12.54 H new ATOM 0 HB2 GLU A 16 -6.222 -9.791 4.858 1.00 14.50 H new ATOM 0 HB3 GLU A 16 -6.050 -9.347 6.545 1.00 14.50 H new ATOM 0 HG2 GLU A 16 -8.236 -8.225 6.528 1.00 1.34 H new ATOM 0 HG3 GLU A 16 -8.397 -8.478 4.802 1.00 1.34 H new ATOM 269 N VAL A 17 -6.900 -5.694 6.051 1.00 62.24 N ATOM 270 CA VAL A 17 -7.282 -4.570 6.910 1.00 72.34 C ATOM 271 C VAL A 17 -8.820 -4.398 6.815 1.00 3.11 C ATOM 272 O VAL A 17 -9.454 -4.905 5.886 1.00 0.24 O ATOM 273 CB VAL A 17 -6.504 -3.265 6.591 1.00 74.22 C ATOM 274 CG1 VAL A 17 -4.978 -3.426 6.620 1.00 73.20 C ATOM 275 CG2 VAL A 17 -6.906 -2.601 5.271 1.00 33.42 C ATOM 0 H VAL A 17 -7.478 -5.727 5.211 1.00 62.24 H new ATOM 0 HA VAL A 17 -7.004 -4.793 7.940 1.00 72.34 H new ATOM 0 HB VAL A 17 -6.800 -2.608 7.409 1.00 74.22 H new ATOM 0 HG11 VAL A 17 -4.507 -2.471 6.387 1.00 73.20 H new ATOM 0 HG12 VAL A 17 -4.665 -3.753 7.612 1.00 73.20 H new ATOM 0 HG13 VAL A 17 -4.676 -4.169 5.882 1.00 73.20 H new ATOM 0 HG21 VAL A 17 -6.316 -1.697 5.124 1.00 33.42 H new ATOM 0 HG22 VAL A 17 -6.724 -3.291 4.447 1.00 33.42 H new ATOM 0 HG23 VAL A 17 -7.964 -2.342 5.301 1.00 33.42 H new ATOM 285 N GLU A 18 -9.452 -3.709 7.761 1.00 0.03 N ATOM 286 CA GLU A 18 -10.898 -3.476 7.784 1.00 1.55 C ATOM 287 C GLU A 18 -11.325 -2.521 6.651 1.00 32.12 C ATOM 288 O GLU A 18 -10.508 -1.750 6.145 1.00 53.44 O ATOM 289 CB GLU A 18 -11.276 -2.904 9.161 1.00 3.31 C ATOM 290 CG GLU A 18 -11.438 -3.987 10.238 1.00 54.34 C ATOM 291 CD GLU A 18 -12.858 -4.563 10.249 1.00 44.23 C ATOM 292 OE1 GLU A 18 -13.199 -5.429 9.408 1.00 71.43 O ATOM 293 OE2 GLU A 18 -13.681 -4.125 11.083 1.00 75.03 O ATOM 0 H GLU A 18 -8.965 -3.287 8.551 1.00 0.03 H new ATOM 0 HA GLU A 18 -11.423 -4.417 7.620 1.00 1.55 H new ATOM 0 HB2 GLU A 18 -10.509 -2.197 9.477 1.00 3.31 H new ATOM 0 HB3 GLU A 18 -12.208 -2.345 9.073 1.00 3.31 H new ATOM 0 HG2 GLU A 18 -10.721 -4.788 10.060 1.00 54.34 H new ATOM 0 HG3 GLU A 18 -11.208 -3.565 11.216 1.00 54.34 H new ATOM 300 N PRO A 19 -12.618 -2.491 6.271 1.00 12.05 N ATOM 301 CA PRO A 19 -13.115 -1.636 5.195 1.00 63.12 C ATOM 302 C PRO A 19 -13.002 -0.123 5.439 1.00 25.22 C ATOM 303 O PRO A 19 -13.169 0.646 4.488 1.00 40.44 O ATOM 304 CB PRO A 19 -14.545 -2.101 4.922 1.00 13.51 C ATOM 305 CG PRO A 19 -14.989 -2.781 6.211 1.00 35.34 C ATOM 306 CD PRO A 19 -13.689 -3.335 6.790 1.00 43.24 C ATOM 0 HA PRO A 19 -12.477 -1.752 4.319 1.00 63.12 H new ATOM 0 HB2 PRO A 19 -15.193 -1.260 4.675 1.00 13.51 H new ATOM 0 HB3 PRO A 19 -14.582 -2.790 4.079 1.00 13.51 H new ATOM 0 HG2 PRO A 19 -15.464 -2.076 6.893 1.00 35.34 H new ATOM 0 HG3 PRO A 19 -15.712 -3.574 6.018 1.00 35.34 H new ATOM 0 HD2 PRO A 19 -13.708 -3.313 7.880 1.00 43.24 H new ATOM 0 HD3 PRO A 19 -13.543 -4.374 6.495 1.00 43.24 H new ATOM 314 N SER A 20 -12.730 0.325 6.664 1.00 50.14 N ATOM 315 CA SER A 20 -12.585 1.731 7.024 1.00 75.33 C ATOM 316 C SER A 20 -11.158 2.027 7.503 1.00 60.23 C ATOM 317 O SER A 20 -10.935 3.092 8.076 1.00 13.25 O ATOM 318 CB SER A 20 -13.679 2.110 8.034 1.00 62.52 C ATOM 319 OG SER A 20 -13.973 3.495 8.050 1.00 71.12 O ATOM 0 H SER A 20 -12.601 -0.303 7.457 1.00 50.14 H new ATOM 0 HA SER A 20 -12.729 2.365 6.149 1.00 75.33 H new ATOM 0 HB2 SER A 20 -14.588 1.556 7.799 1.00 62.52 H new ATOM 0 HB3 SER A 20 -13.366 1.801 9.031 1.00 62.52 H new ATOM 0 HG SER A 20 -13.138 4.006 8.083 1.00 71.12 H new ATOM 325 N ASP A 21 -10.189 1.124 7.302 1.00 5.22 N ATOM 326 CA ASP A 21 -8.819 1.384 7.741 1.00 74.24 C ATOM 327 C ASP A 21 -8.146 2.447 6.867 1.00 14.41 C ATOM 328 O ASP A 21 -8.399 2.560 5.658 1.00 23.33 O ATOM 329 CB ASP A 21 -7.979 0.092 7.757 1.00 41.02 C ATOM 330 CG ASP A 21 -7.867 -0.502 9.161 1.00 0.51 C ATOM 331 OD1 ASP A 21 -7.572 0.280 10.090 1.00 2.54 O ATOM 332 OD2 ASP A 21 -8.010 -1.733 9.312 1.00 42.55 O ATOM 0 H ASP A 21 -10.328 0.222 6.846 1.00 5.22 H new ATOM 0 HA ASP A 21 -8.875 1.766 8.760 1.00 74.24 H new ATOM 0 HB2 ASP A 21 -8.429 -0.641 7.088 1.00 41.02 H new ATOM 0 HB3 ASP A 21 -6.981 0.304 7.372 1.00 41.02 H new ATOM 337 N THR A 22 -7.238 3.216 7.466 1.00 71.32 N ATOM 338 CA THR A 22 -6.490 4.268 6.792 1.00 42.53 C ATOM 339 C THR A 22 -5.386 3.612 5.943 1.00 63.14 C ATOM 340 O THR A 22 -4.849 2.561 6.320 1.00 44.31 O ATOM 341 CB THR A 22 -5.884 5.195 7.869 1.00 3.44 C ATOM 342 OG1 THR A 22 -6.784 5.403 8.949 1.00 62.40 O ATOM 343 CG2 THR A 22 -5.453 6.562 7.325 1.00 21.31 C ATOM 0 H THR A 22 -6.999 3.121 8.453 1.00 71.32 H new ATOM 0 HA THR A 22 -7.131 4.858 6.137 1.00 42.53 H new ATOM 0 HB THR A 22 -4.994 4.671 8.218 1.00 3.44 H new ATOM 0 HG1 THR A 22 -6.368 5.992 9.613 1.00 62.40 H new ATOM 0 HG21 THR A 22 -5.037 7.161 8.135 1.00 21.31 H new ATOM 0 HG22 THR A 22 -4.698 6.424 6.551 1.00 21.31 H new ATOM 0 HG23 THR A 22 -6.317 7.074 6.902 1.00 21.31 H new ATOM 351 N ILE A 23 -5.008 4.215 4.807 1.00 32.03 N ATOM 352 CA ILE A 23 -3.945 3.684 3.937 1.00 32.14 C ATOM 353 C ILE A 23 -2.590 3.702 4.663 1.00 72.44 C ATOM 354 O ILE A 23 -1.694 2.910 4.379 1.00 43.21 O ATOM 355 CB ILE A 23 -3.885 4.369 2.552 1.00 43.43 C ATOM 356 CG1 ILE A 23 -3.325 5.810 2.595 1.00 53.14 C ATOM 357 CG2 ILE A 23 -5.256 4.306 1.849 1.00 3.12 C ATOM 358 CD1 ILE A 23 -3.055 6.390 1.203 1.00 54.11 C ATOM 0 H ILE A 23 -5.427 5.080 4.465 1.00 32.03 H new ATOM 0 HA ILE A 23 -4.198 2.645 3.724 1.00 32.14 H new ATOM 0 HB ILE A 23 -3.168 3.801 1.959 1.00 43.43 H new ATOM 0 HG12 ILE A 23 -4.032 6.453 3.119 1.00 53.14 H new ATOM 0 HG13 ILE A 23 -2.400 5.817 3.171 1.00 53.14 H new ATOM 0 HG21 ILE A 23 -5.189 4.794 0.877 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.548 3.265 1.713 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.002 4.815 2.460 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -2.664 7.403 1.300 1.00 54.11 H new ATOM 0 HD12 ILE A 23 -2.326 5.767 0.685 1.00 54.11 H new ATOM 0 HD13 ILE A 23 -3.983 6.413 0.632 1.00 54.11 H new ATOM 370 N GLU A 24 -2.436 4.632 5.602 1.00 3.21 N ATOM 371 CA GLU A 24 -1.235 4.844 6.387 1.00 12.01 C ATOM 372 C GLU A 24 -0.787 3.585 7.132 1.00 35.03 C ATOM 373 O GLU A 24 0.411 3.323 7.207 1.00 2.00 O ATOM 374 CB GLU A 24 -1.549 5.991 7.350 1.00 44.23 C ATOM 375 CG GLU A 24 -0.288 6.492 8.056 1.00 73.30 C ATOM 376 CD GLU A 24 -0.461 7.871 8.690 1.00 14.02 C ATOM 377 OE1 GLU A 24 -1.606 8.363 8.805 1.00 13.14 O ATOM 378 OE2 GLU A 24 0.574 8.534 8.912 1.00 13.43 O ATOM 0 H GLU A 24 -3.182 5.285 5.843 1.00 3.21 H new ATOM 0 HA GLU A 24 -0.397 5.092 5.736 1.00 12.01 H new ATOM 0 HB2 GLU A 24 -2.010 6.812 6.801 1.00 44.23 H new ATOM 0 HB3 GLU A 24 -2.274 5.656 8.092 1.00 44.23 H new ATOM 0 HG2 GLU A 24 -0.004 5.777 8.828 1.00 73.30 H new ATOM 0 HG3 GLU A 24 0.532 6.529 7.339 1.00 73.30 H new ATOM 385 N ASN A 25 -1.724 2.766 7.625 1.00 3.10 N ATOM 386 CA ASN A 25 -1.375 1.540 8.343 1.00 52.13 C ATOM 387 C ASN A 25 -0.586 0.592 7.440 1.00 33.45 C ATOM 388 O ASN A 25 0.373 -0.037 7.890 1.00 3.01 O ATOM 389 CB ASN A 25 -2.639 0.872 8.890 1.00 42.34 C ATOM 390 CG ASN A 25 -2.332 -0.415 9.647 1.00 11.24 C ATOM 391 OD1 ASN A 25 -2.140 -1.469 9.049 1.00 41.31 O ATOM 392 ND2 ASN A 25 -2.295 -0.361 10.969 1.00 63.33 N ATOM 0 H ASN A 25 -2.727 2.932 7.539 1.00 3.10 H new ATOM 0 HA ASN A 25 -0.735 1.795 9.188 1.00 52.13 H new ATOM 0 HB2 ASN A 25 -3.156 1.566 9.553 1.00 42.34 H new ATOM 0 HB3 ASN A 25 -3.317 0.653 8.065 1.00 42.34 H new ATOM 0 HD21 ASN A 25 -2.104 -1.205 11.509 1.00 63.33 H new ATOM 0 HD22 ASN A 25 -2.457 0.525 11.448 1.00 63.33 H new ATOM 399 N VAL A 26 -0.975 0.499 6.168 1.00 62.15 N ATOM 400 CA VAL A 26 -0.321 -0.346 5.179 1.00 65.02 C ATOM 401 C VAL A 26 1.111 0.162 4.979 1.00 44.00 C ATOM 402 O VAL A 26 2.062 -0.618 5.030 1.00 74.11 O ATOM 403 CB VAL A 26 -1.149 -0.342 3.875 1.00 42.13 C ATOM 404 CG1 VAL A 26 -0.508 -1.210 2.791 1.00 63.01 C ATOM 405 CG2 VAL A 26 -2.594 -0.803 4.130 1.00 51.24 C ATOM 0 H VAL A 26 -1.768 1.020 5.793 1.00 62.15 H new ATOM 0 HA VAL A 26 -0.263 -1.382 5.514 1.00 65.02 H new ATOM 0 HB VAL A 26 -1.167 0.688 3.518 1.00 42.13 H new ATOM 0 HG11 VAL A 26 -1.122 -1.180 1.891 1.00 63.01 H new ATOM 0 HG12 VAL A 26 0.489 -0.831 2.564 1.00 63.01 H new ATOM 0 HG13 VAL A 26 -0.434 -2.238 3.145 1.00 63.01 H new ATOM 0 HG21 VAL A 26 -3.151 -0.789 3.193 1.00 51.24 H new ATOM 0 HG22 VAL A 26 -2.587 -1.816 4.533 1.00 51.24 H new ATOM 0 HG23 VAL A 26 -3.069 -0.131 4.845 1.00 51.24 H new ATOM 415 N LYS A 27 1.277 1.473 4.780 1.00 2.33 N ATOM 416 CA LYS A 27 2.587 2.087 4.583 1.00 44.50 C ATOM 417 C LYS A 27 3.485 1.813 5.791 1.00 3.20 C ATOM 418 O LYS A 27 4.616 1.359 5.612 1.00 11.31 O ATOM 419 CB LYS A 27 2.422 3.592 4.330 1.00 71.22 C ATOM 420 CG LYS A 27 1.828 3.909 2.948 1.00 21.11 C ATOM 421 CD LYS A 27 1.330 5.358 2.838 1.00 23.30 C ATOM 422 CE LYS A 27 2.423 6.391 3.147 1.00 20.31 C ATOM 423 NZ LYS A 27 1.903 7.769 3.061 1.00 62.14 N ATOM 0 H LYS A 27 0.503 2.137 4.751 1.00 2.33 H new ATOM 0 HA LYS A 27 3.068 1.649 3.709 1.00 44.50 H new ATOM 0 HB2 LYS A 27 1.779 4.016 5.101 1.00 71.22 H new ATOM 0 HB3 LYS A 27 3.393 4.079 4.422 1.00 71.22 H new ATOM 0 HG2 LYS A 27 2.582 3.729 2.182 1.00 21.11 H new ATOM 0 HG3 LYS A 27 1.001 3.228 2.747 1.00 21.11 H new ATOM 0 HD2 LYS A 27 0.949 5.530 1.832 1.00 23.30 H new ATOM 0 HD3 LYS A 27 0.496 5.503 3.524 1.00 23.30 H new ATOM 0 HE2 LYS A 27 2.822 6.213 4.146 1.00 20.31 H new ATOM 0 HE3 LYS A 27 3.250 6.268 2.447 1.00 20.31 H new ATOM 0 HZ1 LYS A 27 2.666 8.442 3.275 1.00 62.14 H new ATOM 0 HZ2 LYS A 27 1.545 7.946 2.101 1.00 62.14 H new ATOM 0 HZ3 LYS A 27 1.131 7.892 3.746 1.00 62.14 H new ATOM 437 N ALA A 28 2.988 2.048 7.008 1.00 11.35 N ATOM 438 CA ALA A 28 3.725 1.831 8.249 1.00 10.14 C ATOM 439 C ALA A 28 4.146 0.363 8.412 1.00 53.24 C ATOM 440 O ALA A 28 5.258 0.083 8.862 1.00 52.20 O ATOM 441 CB ALA A 28 2.870 2.293 9.429 1.00 33.30 C ATOM 0 H ALA A 28 2.043 2.401 7.158 1.00 11.35 H new ATOM 0 HA ALA A 28 4.643 2.418 8.217 1.00 10.14 H new ATOM 0 HB1 ALA A 28 3.416 2.133 10.359 1.00 33.30 H new ATOM 0 HB2 ALA A 28 2.642 3.353 9.320 1.00 33.30 H new ATOM 0 HB3 ALA A 28 1.941 1.723 9.451 1.00 33.30 H new ATOM 447 N LYS A 29 3.289 -0.590 8.026 1.00 63.30 N ATOM 448 CA LYS A 29 3.591 -2.021 8.119 1.00 23.41 C ATOM 449 C LYS A 29 4.870 -2.319 7.337 1.00 34.13 C ATOM 450 O LYS A 29 5.784 -2.983 7.836 1.00 24.32 O ATOM 451 CB LYS A 29 2.394 -2.820 7.567 1.00 2.11 C ATOM 452 CG LYS A 29 2.491 -4.343 7.726 1.00 62.33 C ATOM 453 CD LYS A 29 2.488 -4.756 9.199 1.00 31.40 C ATOM 454 CE LYS A 29 2.022 -6.207 9.353 1.00 64.04 C ATOM 455 NZ LYS A 29 1.830 -6.558 10.773 1.00 12.54 N ATOM 0 H LYS A 29 2.366 -0.389 7.640 1.00 63.30 H new ATOM 0 HA LYS A 29 3.753 -2.314 9.156 1.00 23.41 H new ATOM 0 HB2 LYS A 29 1.488 -2.476 8.066 1.00 2.11 H new ATOM 0 HB3 LYS A 29 2.282 -2.589 6.508 1.00 2.11 H new ATOM 0 HG2 LYS A 29 1.654 -4.817 7.213 1.00 62.33 H new ATOM 0 HG3 LYS A 29 3.403 -4.702 7.249 1.00 62.33 H new ATOM 0 HD2 LYS A 29 3.489 -4.644 9.615 1.00 31.40 H new ATOM 0 HD3 LYS A 29 1.831 -4.096 9.766 1.00 31.40 H new ATOM 0 HE2 LYS A 29 1.088 -6.351 8.811 1.00 64.04 H new ATOM 0 HE3 LYS A 29 2.757 -6.877 8.906 1.00 64.04 H new ATOM 0 HZ1 LYS A 29 1.514 -7.546 10.847 1.00 12.54 H new ATOM 0 HZ2 LYS A 29 2.729 -6.442 11.284 1.00 12.54 H new ATOM 0 HZ3 LYS A 29 1.111 -5.933 11.191 1.00 12.54 H new ATOM 469 N ILE A 30 4.921 -1.807 6.107 1.00 34.12 N ATOM 470 CA ILE A 30 6.041 -1.975 5.203 1.00 2.11 C ATOM 471 C ILE A 30 7.258 -1.167 5.669 1.00 20.15 C ATOM 472 O ILE A 30 8.365 -1.623 5.414 1.00 31.41 O ATOM 473 CB ILE A 30 5.587 -1.640 3.765 1.00 22.15 C ATOM 474 CG1 ILE A 30 4.411 -2.522 3.287 1.00 53.01 C ATOM 475 CG2 ILE A 30 6.713 -1.758 2.731 1.00 10.02 C ATOM 476 CD1 ILE A 30 4.633 -4.042 3.291 1.00 4.14 C ATOM 0 H ILE A 30 4.163 -1.252 5.710 1.00 34.12 H new ATOM 0 HA ILE A 30 6.371 -3.014 5.207 1.00 2.11 H new ATOM 0 HB ILE A 30 5.265 -0.600 3.828 1.00 22.15 H new ATOM 0 HG12 ILE A 30 3.547 -2.304 3.915 1.00 53.01 H new ATOM 0 HG13 ILE A 30 4.152 -2.220 2.272 1.00 53.01 H new ATOM 0 HG21 ILE A 30 6.327 -1.509 1.743 1.00 10.02 H new ATOM 0 HG22 ILE A 30 7.518 -1.070 2.990 1.00 10.02 H new ATOM 0 HG23 ILE A 30 7.096 -2.779 2.725 1.00 10.02 H new ATOM 0 HD11 ILE A 30 3.733 -4.542 2.934 1.00 4.14 H new ATOM 0 HD12 ILE A 30 5.469 -4.289 2.637 1.00 4.14 H new ATOM 0 HD13 ILE A 30 4.855 -4.375 4.305 1.00 4.14 H new ATOM 488 N GLN A 31 7.106 -0.034 6.369 1.00 33.20 N ATOM 489 CA GLN A 31 8.250 0.757 6.835 1.00 42.51 C ATOM 490 C GLN A 31 9.134 -0.110 7.732 1.00 11.41 C ATOM 491 O GLN A 31 10.331 -0.220 7.484 1.00 42.14 O ATOM 492 CB GLN A 31 7.757 2.032 7.557 1.00 32.31 C ATOM 493 CG GLN A 31 8.684 2.561 8.671 1.00 3.00 C ATOM 494 CD GLN A 31 8.173 3.850 9.306 1.00 73.44 C ATOM 495 OE1 GLN A 31 6.972 4.063 9.471 1.00 33.01 O ATOM 496 NE2 GLN A 31 9.067 4.759 9.653 1.00 3.12 N ATOM 0 H GLN A 31 6.198 0.355 6.625 1.00 33.20 H new ATOM 0 HA GLN A 31 8.851 1.082 5.986 1.00 42.51 H new ATOM 0 HB2 GLN A 31 7.622 2.820 6.816 1.00 32.31 H new ATOM 0 HB3 GLN A 31 6.777 1.829 7.989 1.00 32.31 H new ATOM 0 HG2 GLN A 31 8.788 1.798 9.443 1.00 3.00 H new ATOM 0 HG3 GLN A 31 9.678 2.734 8.258 1.00 3.00 H new ATOM 0 HE21 GLN A 31 10.061 4.576 9.514 1.00 3.12 H new ATOM 0 HE22 GLN A 31 8.763 5.643 10.060 1.00 3.12 H new ATOM 505 N ASP A 32 8.537 -0.771 8.726 1.00 24.45 N ATOM 506 CA ASP A 32 9.281 -1.633 9.646 1.00 34.43 C ATOM 507 C ASP A 32 9.845 -2.855 8.917 1.00 64.44 C ATOM 508 O ASP A 32 10.936 -3.331 9.229 1.00 11.14 O ATOM 509 CB ASP A 32 8.359 -2.067 10.792 1.00 54.04 C ATOM 510 CG ASP A 32 8.965 -3.188 11.642 1.00 4.21 C ATOM 511 OD1 ASP A 32 9.640 -2.886 12.648 1.00 21.30 O ATOM 512 OD2 ASP A 32 8.686 -4.373 11.326 1.00 60.23 O ATOM 0 H ASP A 32 7.536 -0.725 8.915 1.00 24.45 H new ATOM 0 HA ASP A 32 10.123 -1.073 10.052 1.00 34.43 H new ATOM 0 HB2 ASP A 32 8.147 -1.208 11.428 1.00 54.04 H new ATOM 0 HB3 ASP A 32 7.407 -2.402 10.381 1.00 54.04 H new ATOM 517 N LYS A 33 9.121 -3.367 7.919 1.00 32.13 N ATOM 518 CA LYS A 33 9.558 -4.536 7.168 1.00 13.14 C ATOM 519 C LYS A 33 10.740 -4.227 6.247 1.00 64.54 C ATOM 520 O LYS A 33 11.636 -5.056 6.116 1.00 3.14 O ATOM 521 CB LYS A 33 8.364 -5.094 6.370 1.00 33.34 C ATOM 522 CG LYS A 33 8.514 -6.583 6.022 1.00 32.45 C ATOM 523 CD LYS A 33 8.233 -7.494 7.230 1.00 75.14 C ATOM 524 CE LYS A 33 8.477 -8.956 6.840 1.00 35.33 C ATOM 525 NZ LYS A 33 8.219 -9.894 7.952 1.00 74.02 N ATOM 0 H LYS A 33 8.226 -2.985 7.615 1.00 32.13 H new ATOM 0 HA LYS A 33 9.912 -5.287 7.874 1.00 13.14 H new ATOM 0 HB2 LYS A 33 7.451 -4.952 6.948 1.00 33.34 H new ATOM 0 HB3 LYS A 33 8.251 -4.522 5.449 1.00 33.34 H new ATOM 0 HG2 LYS A 33 7.830 -6.836 5.212 1.00 32.45 H new ATOM 0 HG3 LYS A 33 9.524 -6.769 5.656 1.00 32.45 H new ATOM 0 HD2 LYS A 33 8.877 -7.217 8.064 1.00 75.14 H new ATOM 0 HD3 LYS A 33 7.204 -7.363 7.565 1.00 75.14 H new ATOM 0 HE2 LYS A 33 7.837 -9.214 5.996 1.00 35.33 H new ATOM 0 HE3 LYS A 33 9.508 -9.071 6.505 1.00 35.33 H new ATOM 0 HZ1 LYS A 33 8.399 -10.868 7.634 1.00 74.02 H new ATOM 0 HZ2 LYS A 33 8.847 -9.668 8.749 1.00 74.02 H new ATOM 0 HZ3 LYS A 33 7.228 -9.807 8.257 1.00 74.02 H new ATOM 539 N GLU A 34 10.761 -3.059 5.607 1.00 72.24 N ATOM 540 CA GLU A 34 11.799 -2.642 4.667 1.00 60.32 C ATOM 541 C GLU A 34 12.912 -1.799 5.290 1.00 3.04 C ATOM 542 O GLU A 34 13.921 -1.584 4.623 1.00 41.14 O ATOM 543 CB GLU A 34 11.152 -1.838 3.526 1.00 72.34 C ATOM 544 CG GLU A 34 10.075 -2.594 2.736 1.00 71.33 C ATOM 545 CD GLU A 34 10.617 -3.744 1.892 1.00 22.11 C ATOM 546 OE1 GLU A 34 11.477 -3.513 1.022 1.00 43.31 O ATOM 547 OE2 GLU A 34 10.085 -4.880 2.004 1.00 53.22 O ATOM 0 H GLU A 34 10.033 -2.355 5.733 1.00 72.24 H new ATOM 0 HA GLU A 34 12.267 -3.558 4.308 1.00 60.32 H new ATOM 0 HB2 GLU A 34 10.709 -0.934 3.943 1.00 72.34 H new ATOM 0 HB3 GLU A 34 11.933 -1.521 2.836 1.00 72.34 H new ATOM 0 HG2 GLU A 34 9.335 -2.986 3.434 1.00 71.33 H new ATOM 0 HG3 GLU A 34 9.557 -1.891 2.084 1.00 71.33 H new ATOM 554 N GLY A 35 12.773 -1.319 6.528 1.00 4.14 N ATOM 555 CA GLY A 35 13.794 -0.504 7.180 1.00 45.03 C ATOM 556 C GLY A 35 13.951 0.885 6.562 1.00 43.52 C ATOM 557 O GLY A 35 15.046 1.451 6.624 1.00 4.11 O ATOM 0 H GLY A 35 11.948 -1.486 7.105 1.00 4.14 H new ATOM 0 HA2 GLY A 35 13.543 -0.397 8.235 1.00 45.03 H new ATOM 0 HA3 GLY A 35 14.750 -1.025 7.131 1.00 45.03 H new ATOM 561 N ILE A 36 12.933 1.402 5.865 1.00 55.31 N ATOM 562 CA ILE A 36 12.956 2.726 5.239 1.00 1.02 C ATOM 563 C ILE A 36 11.744 3.564 5.673 1.00 51.12 C ATOM 564 O ILE A 36 10.667 3.001 5.894 1.00 50.01 O ATOM 565 CB ILE A 36 13.096 2.613 3.704 1.00 74.21 C ATOM 566 CG1 ILE A 36 11.965 1.801 3.033 1.00 50.12 C ATOM 567 CG2 ILE A 36 14.465 1.996 3.353 1.00 14.11 C ATOM 568 CD1 ILE A 36 11.695 2.243 1.590 1.00 52.21 C ATOM 0 H ILE A 36 12.056 0.903 5.718 1.00 55.31 H new ATOM 0 HA ILE A 36 13.839 3.260 5.589 1.00 1.02 H new ATOM 0 HB ILE A 36 13.018 3.626 3.310 1.00 74.21 H new ATOM 0 HG12 ILE A 36 12.229 0.743 3.041 1.00 50.12 H new ATOM 0 HG13 ILE A 36 11.051 1.907 3.618 1.00 50.12 H new ATOM 0 HG21 ILE A 36 14.562 1.917 2.270 1.00 14.11 H new ATOM 0 HG22 ILE A 36 15.261 2.630 3.743 1.00 14.11 H new ATOM 0 HG23 ILE A 36 14.541 1.004 3.797 1.00 14.11 H new ATOM 0 HD11 ILE A 36 10.892 1.639 1.169 1.00 52.21 H new ATOM 0 HD12 ILE A 36 11.403 3.293 1.580 1.00 52.21 H new ATOM 0 HD13 ILE A 36 12.598 2.112 0.994 1.00 52.21 H new ATOM 580 N PRO A 37 11.857 4.905 5.756 1.00 31.33 N ATOM 581 CA PRO A 37 10.729 5.742 6.138 1.00 1.24 C ATOM 582 C PRO A 37 9.666 5.679 5.028 1.00 51.15 C ATOM 583 O PRO A 37 10.011 5.535 3.849 1.00 42.51 O ATOM 584 CB PRO A 37 11.303 7.150 6.335 1.00 35.33 C ATOM 585 CG PRO A 37 12.545 7.159 5.446 1.00 44.15 C ATOM 586 CD PRO A 37 13.044 5.717 5.533 1.00 31.31 C ATOM 0 HA PRO A 37 10.238 5.418 7.055 1.00 1.24 H new ATOM 0 HB2 PRO A 37 10.590 7.919 6.036 1.00 35.33 H new ATOM 0 HB3 PRO A 37 11.556 7.338 7.379 1.00 35.33 H new ATOM 0 HG2 PRO A 37 12.305 7.441 4.421 1.00 44.15 H new ATOM 0 HG3 PRO A 37 13.292 7.867 5.805 1.00 44.15 H new ATOM 0 HD2 PRO A 37 13.554 5.423 4.616 1.00 31.31 H new ATOM 0 HD3 PRO A 37 13.759 5.598 6.347 1.00 31.31 H new ATOM 594 N PRO A 38 8.375 5.888 5.342 1.00 24.40 N ATOM 595 CA PRO A 38 7.308 5.819 4.353 1.00 25.14 C ATOM 596 C PRO A 38 7.440 6.804 3.188 1.00 21.33 C ATOM 597 O PRO A 38 6.849 6.557 2.143 1.00 12.11 O ATOM 598 CB PRO A 38 5.988 5.950 5.118 1.00 70.14 C ATOM 599 CG PRO A 38 6.398 6.578 6.445 1.00 44.12 C ATOM 600 CD PRO A 38 7.819 6.077 6.666 1.00 12.33 C ATOM 0 HA PRO A 38 7.361 4.860 3.837 1.00 25.14 H new ATOM 0 HB2 PRO A 38 5.275 6.577 4.582 1.00 70.14 H new ATOM 0 HB3 PRO A 38 5.512 4.980 5.264 1.00 70.14 H new ATOM 0 HG2 PRO A 38 6.361 7.666 6.400 1.00 44.12 H new ATOM 0 HG3 PRO A 38 5.736 6.270 7.254 1.00 44.12 H new ATOM 0 HD2 PRO A 38 8.404 6.797 7.238 1.00 12.33 H new ATOM 0 HD3 PRO A 38 7.823 5.144 7.230 1.00 12.33 H new ATOM 608 N ASP A 39 8.222 7.879 3.308 1.00 13.14 N ATOM 609 CA ASP A 39 8.395 8.841 2.217 1.00 74.02 C ATOM 610 C ASP A 39 9.326 8.305 1.125 1.00 31.11 C ATOM 611 O ASP A 39 9.420 8.905 0.051 1.00 4.45 O ATOM 612 CB ASP A 39 8.818 10.217 2.743 1.00 1.10 C ATOM 613 CG ASP A 39 7.559 11.034 3.012 1.00 11.30 C ATOM 614 OD1 ASP A 39 6.934 11.528 2.045 1.00 1.31 O ATOM 615 OD2 ASP A 39 7.121 11.119 4.174 1.00 21.22 O ATOM 0 H ASP A 39 8.747 8.106 4.153 1.00 13.14 H new ATOM 0 HA ASP A 39 7.424 8.979 1.741 1.00 74.02 H new ATOM 0 HB2 ASP A 39 9.404 10.111 3.656 1.00 1.10 H new ATOM 0 HB3 ASP A 39 9.451 10.724 2.015 1.00 1.10 H new ATOM 620 N GLN A 40 10.038 7.201 1.383 1.00 72.41 N ATOM 621 CA GLN A 40 10.930 6.541 0.428 1.00 13.50 C ATOM 622 C GLN A 40 10.121 5.485 -0.360 1.00 13.22 C ATOM 623 O GLN A 40 10.687 4.715 -1.136 1.00 22.11 O ATOM 624 CB GLN A 40 12.171 5.959 1.137 1.00 64.30 C ATOM 625 CG GLN A 40 13.217 7.021 1.531 1.00 62.04 C ATOM 626 CD GLN A 40 14.130 7.434 0.366 1.00 60.40 C ATOM 627 OE1 GLN A 40 13.676 7.896 -0.677 1.00 44.15 O ATOM 628 NE2 GLN A 40 15.441 7.309 0.519 1.00 52.13 N ATOM 0 H GLN A 40 10.007 6.731 2.288 1.00 72.41 H new ATOM 0 HA GLN A 40 11.320 7.265 -0.287 1.00 13.50 H new ATOM 0 HB2 GLN A 40 11.850 5.428 2.033 1.00 64.30 H new ATOM 0 HB3 GLN A 40 12.641 5.225 0.483 1.00 64.30 H new ATOM 0 HG2 GLN A 40 12.703 7.904 1.912 1.00 62.04 H new ATOM 0 HG3 GLN A 40 13.830 6.633 2.345 1.00 62.04 H new ATOM 0 HE21 GLN A 40 15.819 6.925 1.385 1.00 52.13 H new ATOM 0 HE22 GLN A 40 16.072 7.597 -0.229 1.00 52.13 H new ATOM 637 N GLN A 41 8.800 5.402 -0.158 1.00 1.33 N ATOM 638 CA GLN A 41 7.903 4.482 -0.845 1.00 14.20 C ATOM 639 C GLN A 41 6.632 5.242 -1.231 1.00 64.42 C ATOM 640 O GLN A 41 6.412 6.377 -0.803 1.00 32.43 O ATOM 641 CB GLN A 41 7.597 3.237 0.016 1.00 53.13 C ATOM 642 CG GLN A 41 6.953 3.550 1.378 1.00 62.45 C ATOM 643 CD GLN A 41 6.441 2.336 2.163 1.00 12.21 C ATOM 644 OE1 GLN A 41 6.324 1.220 1.666 1.00 1.33 O ATOM 645 NE2 GLN A 41 6.083 2.544 3.421 1.00 35.14 N ATOM 0 H GLN A 41 8.315 5.998 0.513 1.00 1.33 H new ATOM 0 HA GLN A 41 8.384 4.108 -1.749 1.00 14.20 H new ATOM 0 HB2 GLN A 41 6.933 2.577 -0.543 1.00 53.13 H new ATOM 0 HB3 GLN A 41 8.524 2.689 0.183 1.00 53.13 H new ATOM 0 HG2 GLN A 41 7.683 4.076 1.993 1.00 62.45 H new ATOM 0 HG3 GLN A 41 6.120 4.234 1.217 1.00 62.45 H new ATOM 0 HE21 GLN A 41 6.181 3.472 3.832 1.00 35.14 H new ATOM 0 HE22 GLN A 41 5.709 1.776 3.979 1.00 35.14 H new ATOM 654 N ARG A 42 5.850 4.695 -2.156 1.00 71.11 N ATOM 655 CA ARG A 42 4.584 5.285 -2.590 1.00 44.20 C ATOM 656 C ARG A 42 3.639 4.161 -2.979 1.00 71.32 C ATOM 657 O ARG A 42 4.082 3.028 -3.208 1.00 3.35 O ATOM 658 CB ARG A 42 4.744 6.430 -3.618 1.00 12.24 C ATOM 659 CG ARG A 42 5.753 6.227 -4.749 1.00 1.34 C ATOM 660 CD ARG A 42 6.171 7.560 -5.384 1.00 2.23 C ATOM 661 NE ARG A 42 7.485 7.412 -6.029 1.00 10.11 N ATOM 662 CZ ARG A 42 7.777 7.527 -7.327 1.00 61.34 C ATOM 663 NH1 ARG A 42 6.872 7.959 -8.205 1.00 21.14 N ATOM 664 NH2 ARG A 42 8.990 7.181 -7.749 1.00 15.44 N ATOM 0 H ARG A 42 6.077 3.822 -2.631 1.00 71.11 H new ATOM 0 HA ARG A 42 4.123 5.821 -1.761 1.00 44.20 H new ATOM 0 HB2 ARG A 42 3.769 6.618 -4.067 1.00 12.24 H new ATOM 0 HB3 ARG A 42 5.024 7.333 -3.075 1.00 12.24 H new ATOM 0 HG2 ARG A 42 6.635 5.716 -4.362 1.00 1.34 H new ATOM 0 HG3 ARG A 42 5.319 5.581 -5.512 1.00 1.34 H new ATOM 0 HD2 ARG A 42 5.428 7.873 -6.118 1.00 2.23 H new ATOM 0 HD3 ARG A 42 6.215 8.339 -4.623 1.00 2.23 H new ATOM 0 HE ARG A 42 8.267 7.196 -5.411 1.00 10.11 H new ATOM 0 HH11 ARG A 42 5.935 8.209 -7.890 1.00 21.14 H new ATOM 0 HH12 ARG A 42 7.117 8.039 -9.192 1.00 21.14 H new ATOM 0 HH21 ARG A 42 9.681 6.834 -7.084 1.00 15.44 H new ATOM 0 HH22 ARG A 42 9.229 7.263 -8.737 1.00 15.44 H new ATOM 678 N LEU A 43 2.340 4.436 -2.953 1.00 0.22 N ATOM 679 CA LEU A 43 1.285 3.498 -3.305 1.00 34.43 C ATOM 680 C LEU A 43 0.628 4.052 -4.554 1.00 15.05 C ATOM 681 O LEU A 43 0.400 5.257 -4.657 1.00 25.34 O ATOM 682 CB LEU A 43 0.228 3.371 -2.188 1.00 42.33 C ATOM 683 CG LEU A 43 0.670 2.633 -0.913 1.00 2.32 C ATOM 684 CD1 LEU A 43 -0.490 2.599 0.088 1.00 53.12 C ATOM 685 CD2 LEU A 43 1.134 1.195 -1.179 1.00 42.40 C ATOM 0 H LEU A 43 1.982 5.350 -2.676 1.00 0.22 H new ATOM 0 HA LEU A 43 1.706 2.504 -3.457 1.00 34.43 H new ATOM 0 HB2 LEU A 43 -0.096 4.373 -1.908 1.00 42.33 H new ATOM 0 HB3 LEU A 43 -0.642 2.857 -2.597 1.00 42.33 H new ATOM 0 HG LEU A 43 1.521 3.183 -0.512 1.00 2.32 H new ATOM 0 HD11 LEU A 43 -0.176 2.076 0.991 1.00 53.12 H new ATOM 0 HD12 LEU A 43 -0.782 3.618 0.342 1.00 53.12 H new ATOM 0 HD13 LEU A 43 -1.339 2.079 -0.356 1.00 53.12 H new ATOM 0 HD21 LEU A 43 1.432 0.729 -0.240 1.00 42.40 H new ATOM 0 HD22 LEU A 43 0.318 0.626 -1.623 1.00 42.40 H new ATOM 0 HD23 LEU A 43 1.982 1.207 -1.863 1.00 42.40 H new ATOM 697 N ILE A 44 0.315 3.189 -5.510 1.00 51.23 N ATOM 698 CA ILE A 44 -0.330 3.562 -6.758 1.00 71.00 C ATOM 699 C ILE A 44 -1.437 2.543 -7.015 1.00 54.34 C ATOM 700 O ILE A 44 -1.256 1.341 -6.781 1.00 73.45 O ATOM 701 CB ILE A 44 0.690 3.653 -7.921 1.00 45.54 C ATOM 702 CG1 ILE A 44 1.975 4.402 -7.494 1.00 24.33 C ATOM 703 CG2 ILE A 44 0.062 4.337 -9.153 1.00 60.54 C ATOM 704 CD1 ILE A 44 2.991 4.618 -8.612 1.00 71.54 C ATOM 0 H ILE A 44 0.507 2.190 -5.437 1.00 51.23 H new ATOM 0 HA ILE A 44 -0.764 4.559 -6.689 1.00 71.00 H new ATOM 0 HB ILE A 44 0.966 2.633 -8.189 1.00 45.54 H new ATOM 0 HG12 ILE A 44 1.694 5.372 -7.085 1.00 24.33 H new ATOM 0 HG13 ILE A 44 2.454 3.844 -6.690 1.00 24.33 H new ATOM 0 HG21 ILE A 44 0.798 4.389 -9.955 1.00 60.54 H new ATOM 0 HG22 ILE A 44 -0.801 3.761 -9.489 1.00 60.54 H new ATOM 0 HG23 ILE A 44 -0.256 5.345 -8.887 1.00 60.54 H new ATOM 0 HD11 ILE A 44 3.857 5.150 -8.219 1.00 71.54 H new ATOM 0 HD12 ILE A 44 3.307 3.653 -9.008 1.00 71.54 H new ATOM 0 HD13 ILE A 44 2.535 5.206 -9.409 1.00 71.54 H new ATOM 716 N PHE A 45 -2.585 3.041 -7.463 1.00 61.31 N ATOM 717 CA PHE A 45 -3.775 2.275 -7.804 1.00 34.03 C ATOM 718 C PHE A 45 -4.337 2.891 -9.081 1.00 21.01 C ATOM 719 O PHE A 45 -4.511 4.107 -9.140 1.00 72.41 O ATOM 720 CB PHE A 45 -4.799 2.357 -6.660 1.00 65.23 C ATOM 721 CG PHE A 45 -6.212 1.917 -7.013 1.00 13.24 C ATOM 722 CD1 PHE A 45 -6.575 0.557 -6.966 1.00 22.52 C ATOM 723 CD2 PHE A 45 -7.181 2.881 -7.363 1.00 21.25 C ATOM 724 CE1 PHE A 45 -7.892 0.167 -7.278 1.00 40.20 C ATOM 725 CE2 PHE A 45 -8.493 2.486 -7.679 1.00 13.05 C ATOM 726 CZ PHE A 45 -8.844 1.128 -7.654 1.00 75.20 C ATOM 0 H PHE A 45 -2.715 4.043 -7.605 1.00 61.31 H new ATOM 0 HA PHE A 45 -3.542 1.221 -7.955 1.00 34.03 H new ATOM 0 HB2 PHE A 45 -4.443 1.744 -5.832 1.00 65.23 H new ATOM 0 HB3 PHE A 45 -4.836 3.386 -6.302 1.00 65.23 H new ATOM 0 HD1 PHE A 45 -5.843 -0.188 -6.690 1.00 22.52 H new ATOM 0 HD2 PHE A 45 -6.914 3.927 -7.388 1.00 21.25 H new ATOM 0 HE1 PHE A 45 -8.171 -0.875 -7.228 1.00 40.20 H new ATOM 0 HE2 PHE A 45 -9.231 3.229 -7.941 1.00 13.05 H new ATOM 0 HZ PHE A 45 -9.844 0.822 -7.923 1.00 75.20 H new ATOM 736 N ALA A 46 -4.645 2.076 -10.092 1.00 70.34 N ATOM 737 CA ALA A 46 -5.205 2.510 -11.373 1.00 10.40 C ATOM 738 C ALA A 46 -4.449 3.683 -12.032 1.00 64.41 C ATOM 739 O ALA A 46 -5.053 4.528 -12.698 1.00 3.54 O ATOM 740 CB ALA A 46 -6.701 2.806 -11.183 1.00 14.30 C ATOM 0 H ALA A 46 -4.508 1.067 -10.040 1.00 70.34 H new ATOM 0 HA ALA A 46 -5.079 1.694 -12.084 1.00 10.40 H new ATOM 0 HB1 ALA A 46 -7.131 3.131 -12.131 1.00 14.30 H new ATOM 0 HB2 ALA A 46 -7.210 1.904 -10.844 1.00 14.30 H new ATOM 0 HB3 ALA A 46 -6.825 3.594 -10.440 1.00 14.30 H new ATOM 746 N GLY A 47 -3.127 3.764 -11.860 1.00 31.13 N ATOM 747 CA GLY A 47 -2.312 4.829 -12.436 1.00 41.42 C ATOM 748 C GLY A 47 -2.434 6.161 -11.690 1.00 52.22 C ATOM 749 O GLY A 47 -2.058 7.208 -12.233 1.00 31.14 O ATOM 0 H GLY A 47 -2.592 3.088 -11.314 1.00 31.13 H new ATOM 0 HA2 GLY A 47 -1.268 4.517 -12.438 1.00 41.42 H new ATOM 0 HA3 GLY A 47 -2.602 4.976 -13.476 1.00 41.42 H new ATOM 753 N LYS A 48 -2.981 6.152 -10.473 1.00 64.21 N ATOM 754 CA LYS A 48 -3.152 7.312 -9.614 1.00 23.52 C ATOM 755 C LYS A 48 -2.298 7.032 -8.388 1.00 42.14 C ATOM 756 O LYS A 48 -2.406 5.948 -7.811 1.00 1.32 O ATOM 757 CB LYS A 48 -4.635 7.450 -9.223 1.00 72.02 C ATOM 758 CG LYS A 48 -4.927 8.694 -8.367 1.00 12.20 C ATOM 759 CD LYS A 48 -4.851 10.006 -9.151 1.00 10.33 C ATOM 760 CE LYS A 48 -5.993 10.126 -10.165 1.00 12.11 C ATOM 761 NZ LYS A 48 -5.699 11.169 -11.161 1.00 12.33 N ATOM 0 H LYS A 48 -3.331 5.294 -10.046 1.00 64.21 H new ATOM 0 HA LYS A 48 -2.857 8.241 -10.102 1.00 23.52 H new ATOM 0 HB2 LYS A 48 -5.240 7.491 -10.129 1.00 72.02 H new ATOM 0 HB3 LYS A 48 -4.943 6.560 -8.674 1.00 72.02 H new ATOM 0 HG2 LYS A 48 -5.921 8.599 -7.929 1.00 12.20 H new ATOM 0 HG3 LYS A 48 -4.217 8.732 -7.541 1.00 12.20 H new ATOM 0 HD2 LYS A 48 -4.889 10.847 -8.458 1.00 10.33 H new ATOM 0 HD3 LYS A 48 -3.895 10.065 -9.671 1.00 10.33 H new ATOM 0 HE2 LYS A 48 -6.142 9.170 -10.666 1.00 12.11 H new ATOM 0 HE3 LYS A 48 -6.922 10.363 -9.647 1.00 12.11 H new ATOM 0 HZ1 LYS A 48 -6.485 11.234 -11.838 1.00 12.33 H new ATOM 0 HZ2 LYS A 48 -5.579 12.084 -10.681 1.00 12.33 H new ATOM 0 HZ3 LYS A 48 -4.824 10.928 -11.669 1.00 12.33 H new ATOM 775 N GLN A 49 -1.388 7.939 -8.047 1.00 41.40 N ATOM 776 CA GLN A 49 -0.554 7.759 -6.870 1.00 73.43 C ATOM 777 C GLN A 49 -1.489 8.093 -5.710 1.00 32.23 C ATOM 778 O GLN A 49 -2.117 9.154 -5.712 1.00 21.10 O ATOM 779 CB GLN A 49 0.705 8.637 -6.916 1.00 24.12 C ATOM 780 CG GLN A 49 1.543 8.381 -8.185 1.00 63.43 C ATOM 781 CD GLN A 49 2.914 9.054 -8.137 1.00 35.41 C ATOM 782 OE1 GLN A 49 3.959 8.397 -8.167 1.00 62.42 O ATOM 783 NE2 GLN A 49 2.934 10.371 -8.078 1.00 64.34 N ATOM 0 H GLN A 49 -1.212 8.799 -8.566 1.00 41.40 H new ATOM 0 HA GLN A 49 -0.150 6.750 -6.782 1.00 73.43 H new ATOM 0 HB2 GLN A 49 0.416 9.687 -6.878 1.00 24.12 H new ATOM 0 HB3 GLN A 49 1.315 8.443 -6.034 1.00 24.12 H new ATOM 0 HG2 GLN A 49 1.675 7.307 -8.317 1.00 63.43 H new ATOM 0 HG3 GLN A 49 0.996 8.744 -9.055 1.00 63.43 H new ATOM 0 HE21 GLN A 49 2.058 10.894 -8.054 1.00 64.34 H new ATOM 0 HE22 GLN A 49 3.825 10.867 -8.056 1.00 64.34 H new ATOM 792 N LEU A 50 -1.632 7.178 -4.757 1.00 34.22 N ATOM 793 CA LEU A 50 -2.507 7.359 -3.609 1.00 40.42 C ATOM 794 C LEU A 50 -1.873 8.332 -2.617 1.00 61.32 C ATOM 795 O LEU A 50 -0.823 8.067 -2.021 1.00 62.11 O ATOM 796 CB LEU A 50 -2.826 6.013 -2.943 1.00 13.40 C ATOM 797 CG LEU A 50 -3.615 5.026 -3.830 1.00 41.42 C ATOM 798 CD1 LEU A 50 -4.035 3.820 -2.983 1.00 71.44 C ATOM 799 CD2 LEU A 50 -4.853 5.656 -4.490 1.00 40.54 C ATOM 0 H LEU A 50 -1.140 6.285 -4.761 1.00 34.22 H new ATOM 0 HA LEU A 50 -3.450 7.784 -3.952 1.00 40.42 H new ATOM 0 HB2 LEU A 50 -1.891 5.542 -2.641 1.00 13.40 H new ATOM 0 HB3 LEU A 50 -3.397 6.199 -2.033 1.00 13.40 H new ATOM 0 HG LEU A 50 -2.954 4.721 -4.642 1.00 41.42 H new ATOM 0 HD11 LEU A 50 -4.593 3.117 -3.602 1.00 71.44 H new ATOM 0 HD12 LEU A 50 -3.147 3.328 -2.585 1.00 71.44 H new ATOM 0 HD13 LEU A 50 -4.664 4.156 -2.158 1.00 71.44 H new ATOM 0 HD21 LEU A 50 -5.361 4.908 -5.099 1.00 40.54 H new ATOM 0 HD22 LEU A 50 -5.532 6.018 -3.718 1.00 40.54 H new ATOM 0 HD23 LEU A 50 -4.544 6.489 -5.121 1.00 40.54 H new ATOM 811 N GLU A 51 -2.521 9.485 -2.495 1.00 60.54 N ATOM 812 CA GLU A 51 -2.156 10.585 -1.625 1.00 25.41 C ATOM 813 C GLU A 51 -2.413 10.162 -0.167 1.00 61.24 C ATOM 814 O GLU A 51 -3.391 9.453 0.103 1.00 14.10 O ATOM 815 CB GLU A 51 -3.015 11.815 -1.965 1.00 3.03 C ATOM 816 CG GLU A 51 -3.278 12.153 -3.449 1.00 64.31 C ATOM 817 CD GLU A 51 -2.076 12.699 -4.229 1.00 12.34 C ATOM 818 OE1 GLU A 51 -1.440 13.691 -3.807 1.00 54.52 O ATOM 819 OE2 GLU A 51 -1.843 12.280 -5.384 1.00 72.25 O ATOM 0 H GLU A 51 -3.364 9.683 -3.034 1.00 60.54 H new ATOM 0 HA GLU A 51 -1.104 10.837 -1.760 1.00 25.41 H new ATOM 0 HB2 GLU A 51 -3.982 11.686 -1.480 1.00 3.03 H new ATOM 0 HB3 GLU A 51 -2.542 12.684 -1.508 1.00 3.03 H new ATOM 0 HG2 GLU A 51 -3.635 11.253 -3.950 1.00 64.31 H new ATOM 0 HG3 GLU A 51 -4.083 12.886 -3.499 1.00 64.31 H new ATOM 826 N ASP A 52 -1.543 10.597 0.745 1.00 0.34 N ATOM 827 CA ASP A 52 -1.577 10.333 2.188 1.00 31.04 C ATOM 828 C ASP A 52 -2.816 10.897 2.894 1.00 42.34 C ATOM 829 O ASP A 52 -3.458 11.841 2.420 1.00 14.12 O ATOM 830 CB ASP A 52 -0.285 10.752 2.908 1.00 31.24 C ATOM 831 CG ASP A 52 -0.059 12.256 2.992 1.00 51.30 C ATOM 832 OD1 ASP A 52 -0.661 12.922 3.871 1.00 0.01 O ATOM 833 OD2 ASP A 52 0.762 12.755 2.195 1.00 22.02 O ATOM 0 H ASP A 52 -0.747 11.178 0.483 1.00 0.34 H new ATOM 0 HA ASP A 52 -1.651 9.248 2.260 1.00 31.04 H new ATOM 0 HB2 ASP A 52 -0.300 10.344 3.919 1.00 31.24 H new ATOM 0 HB3 ASP A 52 0.563 10.299 2.395 1.00 31.24 H new ATOM 838 N GLY A 53 -3.217 10.218 3.974 1.00 44.55 N ATOM 839 CA GLY A 53 -4.359 10.568 4.811 1.00 32.35 C ATOM 840 C GLY A 53 -5.672 9.971 4.325 1.00 41.15 C ATOM 841 O GLY A 53 -6.728 10.242 4.899 1.00 10.31 O ATOM 0 H GLY A 53 -2.734 9.380 4.297 1.00 44.55 H new ATOM 0 HA2 GLY A 53 -4.170 10.230 5.830 1.00 32.35 H new ATOM 0 HA3 GLY A 53 -4.454 11.653 4.848 1.00 32.35 H new ATOM 845 N ARG A 54 -5.648 9.141 3.280 1.00 51.23 N ATOM 846 CA ARG A 54 -6.875 8.561 2.763 1.00 11.11 C ATOM 847 C ARG A 54 -7.259 7.303 3.519 1.00 63.42 C ATOM 848 O ARG A 54 -6.431 6.636 4.141 1.00 61.13 O ATOM 849 CB ARG A 54 -6.710 8.248 1.267 1.00 44.05 C ATOM 850 CG ARG A 54 -7.991 8.530 0.464 1.00 3.24 C ATOM 851 CD ARG A 54 -8.159 10.040 0.325 1.00 12.33 C ATOM 852 NE ARG A 54 -9.441 10.428 -0.274 1.00 4.02 N ATOM 853 CZ ARG A 54 -9.886 11.690 -0.248 1.00 71.33 C ATOM 854 NH1 ARG A 54 -9.164 12.638 0.343 1.00 60.51 N ATOM 855 NH2 ARG A 54 -11.047 11.980 -0.823 1.00 12.33 N ATOM 0 H ARG A 54 -4.801 8.862 2.785 1.00 51.23 H new ATOM 0 HA ARG A 54 -7.676 9.287 2.899 1.00 11.11 H new ATOM 0 HB2 ARG A 54 -5.892 8.844 0.862 1.00 44.05 H new ATOM 0 HB3 ARG A 54 -6.432 7.201 1.146 1.00 44.05 H new ATOM 0 HG2 ARG A 54 -7.930 8.064 -0.520 1.00 3.24 H new ATOM 0 HG3 ARG A 54 -8.856 8.098 0.968 1.00 3.24 H new ATOM 0 HD2 ARG A 54 -8.071 10.501 1.309 1.00 12.33 H new ATOM 0 HD3 ARG A 54 -7.346 10.434 -0.285 1.00 12.33 H new ATOM 0 HE ARG A 54 -10.012 9.713 -0.725 1.00 4.02 H new ATOM 0 HH11 ARG A 54 -8.271 12.403 0.776 1.00 60.51 H new ATOM 0 HH12 ARG A 54 -9.503 13.600 0.363 1.00 60.51 H new ATOM 0 HH21 ARG A 54 -11.589 11.245 -1.278 1.00 12.33 H new ATOM 0 HH22 ARG A 54 -11.397 12.938 -0.810 1.00 12.33 H new ATOM 869 N THR A 55 -8.533 6.969 3.405 1.00 64.13 N ATOM 870 CA THR A 55 -9.154 5.804 3.990 1.00 64.24 C ATOM 871 C THR A 55 -9.684 4.972 2.816 1.00 33.14 C ATOM 872 O THR A 55 -9.906 5.513 1.723 1.00 53.11 O ATOM 873 CB THR A 55 -10.251 6.283 4.960 1.00 60.23 C ATOM 874 OG1 THR A 55 -9.753 7.298 5.819 1.00 41.04 O ATOM 875 CG2 THR A 55 -10.740 5.134 5.836 1.00 13.44 C ATOM 0 H THR A 55 -9.193 7.536 2.873 1.00 64.13 H new ATOM 0 HA THR A 55 -8.476 5.183 4.575 1.00 64.24 H new ATOM 0 HB THR A 55 -11.070 6.669 4.353 1.00 60.23 H new ATOM 0 HG1 THR A 55 -10.464 7.591 6.426 1.00 41.04 H new ATOM 0 HG21 THR A 55 -11.514 5.496 6.513 1.00 13.44 H new ATOM 0 HG22 THR A 55 -11.149 4.345 5.206 1.00 13.44 H new ATOM 0 HG23 THR A 55 -9.906 4.739 6.417 1.00 13.44 H new ATOM 883 N LEU A 56 -9.894 3.665 3.005 1.00 4.41 N ATOM 884 CA LEU A 56 -10.427 2.801 1.965 1.00 31.44 C ATOM 885 C LEU A 56 -11.829 3.287 1.631 1.00 1.33 C ATOM 886 O LEU A 56 -12.141 3.465 0.462 1.00 22.43 O ATOM 887 CB LEU A 56 -10.506 1.343 2.439 1.00 41.21 C ATOM 888 CG LEU A 56 -9.168 0.669 2.762 1.00 41.20 C ATOM 889 CD1 LEU A 56 -9.419 -0.813 3.023 1.00 62.43 C ATOM 890 CD2 LEU A 56 -8.122 0.811 1.659 1.00 22.54 C ATOM 0 H LEU A 56 -9.698 3.185 3.883 1.00 4.41 H new ATOM 0 HA LEU A 56 -9.771 2.840 1.095 1.00 31.44 H new ATOM 0 HB2 LEU A 56 -11.134 1.304 3.329 1.00 41.21 H new ATOM 0 HB3 LEU A 56 -11.009 0.758 1.669 1.00 41.21 H new ATOM 0 HG LEU A 56 -8.763 1.174 3.639 1.00 41.20 H new ATOM 0 HD11 LEU A 56 -8.475 -1.307 3.254 1.00 62.43 H new ATOM 0 HD12 LEU A 56 -10.102 -0.924 3.865 1.00 62.43 H new ATOM 0 HD13 LEU A 56 -9.859 -1.269 2.136 1.00 62.43 H new ATOM 0 HD21 LEU A 56 -7.203 0.308 1.962 1.00 22.54 H new ATOM 0 HD22 LEU A 56 -8.498 0.359 0.741 1.00 22.54 H new ATOM 0 HD23 LEU A 56 -7.917 1.867 1.486 1.00 22.54 H new ATOM 902 N SER A 57 -12.616 3.618 2.655 1.00 24.41 N ATOM 903 CA SER A 57 -13.979 4.090 2.528 1.00 75.32 C ATOM 904 C SER A 57 -14.044 5.371 1.687 1.00 54.13 C ATOM 905 O SER A 57 -14.794 5.431 0.714 1.00 43.32 O ATOM 906 CB SER A 57 -14.480 4.322 3.959 1.00 52.43 C ATOM 907 OG SER A 57 -15.851 4.615 3.977 1.00 60.21 O ATOM 0 H SER A 57 -12.304 3.560 3.624 1.00 24.41 H new ATOM 0 HA SER A 57 -14.607 3.365 2.010 1.00 75.32 H new ATOM 0 HB2 SER A 57 -14.287 3.435 4.562 1.00 52.43 H new ATOM 0 HB3 SER A 57 -13.924 5.143 4.413 1.00 52.43 H new ATOM 0 HG SER A 57 -16.143 4.756 4.902 1.00 60.21 H new ATOM 913 N ASP A 58 -13.164 6.339 1.958 1.00 55.43 N ATOM 914 CA ASP A 58 -13.132 7.621 1.255 1.00 32.24 C ATOM 915 C ASP A 58 -12.887 7.523 -0.245 1.00 42.31 C ATOM 916 O ASP A 58 -13.428 8.332 -1.003 1.00 44.54 O ATOM 917 CB ASP A 58 -12.122 8.565 1.912 1.00 33.14 C ATOM 918 CG ASP A 58 -12.848 9.405 2.951 1.00 63.51 C ATOM 919 OD1 ASP A 58 -13.409 10.450 2.551 1.00 53.24 O ATOM 920 OD2 ASP A 58 -12.880 8.994 4.131 1.00 65.32 O ATOM 0 H ASP A 58 -12.448 6.252 2.679 1.00 55.43 H new ATOM 0 HA ASP A 58 -14.138 8.029 1.349 1.00 32.24 H new ATOM 0 HB2 ASP A 58 -11.320 7.994 2.380 1.00 33.14 H new ATOM 0 HB3 ASP A 58 -11.661 9.207 1.162 1.00 33.14 H new ATOM 925 N TYR A 59 -12.058 6.576 -0.687 1.00 35.41 N ATOM 926 CA TYR A 59 -11.760 6.366 -2.107 1.00 50.12 C ATOM 927 C TYR A 59 -12.583 5.170 -2.628 1.00 15.13 C ATOM 928 O TYR A 59 -12.438 4.759 -3.780 1.00 22.14 O ATOM 929 CB TYR A 59 -10.238 6.209 -2.303 1.00 34.54 C ATOM 930 CG TYR A 59 -9.690 6.659 -3.652 1.00 11.23 C ATOM 931 CD1 TYR A 59 -9.785 5.837 -4.793 1.00 31.51 C ATOM 932 CD2 TYR A 59 -9.071 7.919 -3.770 1.00 40.22 C ATOM 933 CE1 TYR A 59 -9.320 6.281 -6.043 1.00 13.05 C ATOM 934 CE2 TYR A 59 -8.590 8.366 -5.014 1.00 25.33 C ATOM 935 CZ TYR A 59 -8.724 7.553 -6.162 1.00 54.33 C ATOM 936 OH TYR A 59 -8.328 8.001 -7.384 1.00 12.54 O ATOM 0 H TYR A 59 -11.571 5.929 -0.067 1.00 35.41 H new ATOM 0 HA TYR A 59 -12.055 7.231 -2.701 1.00 50.12 H new ATOM 0 HB2 TYR A 59 -9.730 6.773 -1.520 1.00 34.54 H new ATOM 0 HB3 TYR A 59 -9.979 5.160 -2.159 1.00 34.54 H new ATOM 0 HD1 TYR A 59 -10.221 4.853 -4.706 1.00 31.51 H new ATOM 0 HD2 TYR A 59 -8.965 8.547 -2.898 1.00 40.22 H new ATOM 0 HE1 TYR A 59 -9.419 5.648 -6.912 1.00 13.05 H new ATOM 0 HE2 TYR A 59 -8.117 9.334 -5.092 1.00 25.33 H new ATOM 0 HH TYR A 59 -8.024 8.930 -7.309 1.00 12.54 H new ATOM 946 N ASN A 60 -13.495 4.634 -1.803 1.00 52.50 N ATOM 947 CA ASN A 60 -14.359 3.492 -2.081 1.00 63.35 C ATOM 948 C ASN A 60 -13.513 2.323 -2.595 1.00 74.25 C ATOM 949 O ASN A 60 -13.836 1.736 -3.630 1.00 3.21 O ATOM 950 CB ASN A 60 -15.518 3.898 -3.015 1.00 2.43 C ATOM 951 CG ASN A 60 -16.541 4.761 -2.296 1.00 0.31 C ATOM 952 OD1 ASN A 60 -16.647 5.965 -2.546 1.00 13.40 O ATOM 953 ND2 ASN A 60 -17.315 4.160 -1.410 1.00 24.32 N ATOM 0 H ASN A 60 -13.653 5.014 -0.870 1.00 52.50 H new ATOM 0 HA ASN A 60 -14.839 3.147 -1.165 1.00 63.35 H new ATOM 0 HB2 ASN A 60 -15.121 4.441 -3.873 1.00 2.43 H new ATOM 0 HB3 ASN A 60 -16.004 3.003 -3.402 1.00 2.43 H new ATOM 0 HD21 ASN A 60 -18.026 4.693 -0.909 1.00 24.32 H new ATOM 0 HD22 ASN A 60 -17.202 3.163 -1.227 1.00 24.32 H new ATOM 960 N ILE A 61 -12.403 2.017 -1.908 1.00 61.55 N ATOM 961 CA ILE A 61 -11.504 0.944 -2.303 1.00 24.40 C ATOM 962 C ILE A 61 -12.168 -0.410 -2.092 1.00 32.41 C ATOM 963 O ILE A 61 -12.577 -0.744 -0.974 1.00 74.21 O ATOM 964 CB ILE A 61 -10.157 1.012 -1.550 1.00 51.45 C ATOM 965 CG1 ILE A 61 -9.414 2.352 -1.726 1.00 2.41 C ATOM 966 CG2 ILE A 61 -9.236 -0.153 -1.957 1.00 25.21 C ATOM 967 CD1 ILE A 61 -9.019 2.696 -3.169 1.00 3.22 C ATOM 0 H ILE A 61 -12.111 2.511 -1.065 1.00 61.55 H new ATOM 0 HA ILE A 61 -11.289 1.071 -3.364 1.00 24.40 H new ATOM 0 HB ILE A 61 -10.411 0.929 -0.493 1.00 51.45 H new ATOM 0 HG12 ILE A 61 -10.044 3.152 -1.338 1.00 2.41 H new ATOM 0 HG13 ILE A 61 -8.512 2.332 -1.114 1.00 2.41 H new ATOM 0 HG21 ILE A 61 -8.295 -0.080 -1.412 1.00 25.21 H new ATOM 0 HG22 ILE A 61 -9.721 -1.100 -1.720 1.00 25.21 H new ATOM 0 HG23 ILE A 61 -9.040 -0.104 -3.028 1.00 25.21 H new ATOM 0 HD11 ILE A 61 -8.503 3.656 -3.186 1.00 3.22 H new ATOM 0 HD12 ILE A 61 -8.359 1.922 -3.560 1.00 3.22 H new ATOM 0 HD13 ILE A 61 -9.915 2.755 -3.787 1.00 3.22 H new ATOM 979 N GLN A 62 -12.272 -1.184 -3.169 1.00 65.12 N ATOM 980 CA GLN A 62 -12.841 -2.518 -3.121 1.00 1.21 C ATOM 981 C GLN A 62 -11.720 -3.525 -2.832 1.00 1.43 C ATOM 982 O GLN A 62 -10.521 -3.238 -2.939 1.00 1.22 O ATOM 983 CB GLN A 62 -13.570 -2.851 -4.437 1.00 1.01 C ATOM 984 CG GLN A 62 -12.652 -2.942 -5.669 1.00 75.21 C ATOM 985 CD GLN A 62 -13.429 -3.083 -6.976 1.00 64.53 C ATOM 986 OE1 GLN A 62 -14.422 -3.800 -7.066 1.00 1.41 O ATOM 987 NE2 GLN A 62 -12.969 -2.433 -8.034 1.00 21.54 N ATOM 0 H GLN A 62 -11.962 -0.899 -4.098 1.00 65.12 H new ATOM 0 HA GLN A 62 -13.582 -2.572 -2.324 1.00 1.21 H new ATOM 0 HB2 GLN A 62 -14.093 -3.800 -4.318 1.00 1.01 H new ATOM 0 HB3 GLN A 62 -14.329 -2.090 -4.620 1.00 1.01 H new ATOM 0 HG2 GLN A 62 -12.027 -2.050 -5.717 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -11.983 -3.795 -5.556 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -12.144 -1.840 -7.949 1.00 21.54 H new ATOM 0 HE22 GLN A 62 -13.440 -2.525 -8.934 1.00 21.54 H new ATOM 996 N LYS A 63 -12.125 -4.729 -2.458 1.00 10.11 N ATOM 997 CA LYS A 63 -11.264 -5.863 -2.170 1.00 64.23 C ATOM 998 C LYS A 63 -10.584 -6.300 -3.472 1.00 10.54 C ATOM 999 O LYS A 63 -11.050 -5.956 -4.560 1.00 54.44 O ATOM 1000 CB LYS A 63 -12.115 -6.992 -1.553 1.00 64.43 C ATOM 1001 CG LYS A 63 -13.114 -7.701 -2.487 1.00 31.54 C ATOM 1002 CD LYS A 63 -14.102 -6.797 -3.244 1.00 74.42 C ATOM 1003 CE LYS A 63 -15.250 -7.558 -3.905 1.00 1.12 C ATOM 1004 NZ LYS A 63 -16.366 -7.800 -2.971 1.00 41.44 N ATOM 0 H LYS A 63 -13.114 -4.952 -2.342 1.00 10.11 H new ATOM 0 HA LYS A 63 -10.487 -5.601 -1.452 1.00 64.23 H new ATOM 0 HB2 LYS A 63 -11.438 -7.744 -1.147 1.00 64.43 H new ATOM 0 HB3 LYS A 63 -12.672 -6.577 -0.713 1.00 64.43 H new ATOM 0 HG2 LYS A 63 -12.548 -8.277 -3.219 1.00 31.54 H new ATOM 0 HG3 LYS A 63 -13.688 -8.414 -1.895 1.00 31.54 H new ATOM 0 HD2 LYS A 63 -14.515 -6.065 -2.550 1.00 74.42 H new ATOM 0 HD3 LYS A 63 -13.559 -6.241 -4.008 1.00 74.42 H new ATOM 0 HE2 LYS A 63 -15.612 -6.992 -4.763 1.00 1.12 H new ATOM 0 HE3 LYS A 63 -14.882 -8.511 -4.284 1.00 1.12 H new ATOM 0 HZ1 LYS A 63 -17.123 -8.319 -3.461 1.00 41.44 H new ATOM 0 HZ2 LYS A 63 -16.028 -8.362 -2.164 1.00 41.44 H new ATOM 0 HZ3 LYS A 63 -16.736 -6.890 -2.629 1.00 41.44 H new ATOM 1018 N GLU A 64 -9.493 -7.053 -3.368 1.00 41.43 N ATOM 1019 CA GLU A 64 -8.744 -7.558 -4.514 1.00 14.10 C ATOM 1020 C GLU A 64 -8.361 -6.457 -5.542 1.00 52.54 C ATOM 1021 O GLU A 64 -8.435 -6.662 -6.761 1.00 0.33 O ATOM 1022 CB GLU A 64 -9.525 -8.761 -5.083 1.00 34.14 C ATOM 1023 CG GLU A 64 -8.654 -9.764 -5.845 1.00 32.12 C ATOM 1024 CD GLU A 64 -7.825 -10.708 -4.963 1.00 22.21 C ATOM 1025 OE1 GLU A 64 -7.334 -10.320 -3.881 1.00 33.12 O ATOM 1026 OE2 GLU A 64 -7.617 -11.865 -5.393 1.00 24.44 O ATOM 0 H GLU A 64 -9.098 -7.334 -2.470 1.00 41.43 H new ATOM 0 HA GLU A 64 -7.760 -7.908 -4.202 1.00 14.10 H new ATOM 0 HB2 GLU A 64 -10.024 -9.278 -4.263 1.00 34.14 H new ATOM 0 HB3 GLU A 64 -10.305 -8.393 -5.749 1.00 34.14 H new ATOM 0 HG2 GLU A 64 -9.297 -10.364 -6.489 1.00 32.12 H new ATOM 0 HG3 GLU A 64 -7.977 -9.212 -6.496 1.00 32.12 H new ATOM 1033 N SER A 65 -8.027 -5.247 -5.072 1.00 11.43 N ATOM 1034 CA SER A 65 -7.612 -4.106 -5.891 1.00 12.42 C ATOM 1035 C SER A 65 -6.121 -4.273 -6.201 1.00 12.55 C ATOM 1036 O SER A 65 -5.326 -4.426 -5.271 1.00 21.20 O ATOM 1037 CB SER A 65 -7.851 -2.808 -5.109 1.00 33.30 C ATOM 1038 OG SER A 65 -9.221 -2.459 -5.160 1.00 61.33 O ATOM 0 H SER A 65 -8.040 -5.031 -4.075 1.00 11.43 H new ATOM 0 HA SER A 65 -8.183 -4.061 -6.818 1.00 12.42 H new ATOM 0 HB2 SER A 65 -7.538 -2.935 -4.073 1.00 33.30 H new ATOM 0 HB3 SER A 65 -7.246 -2.004 -5.529 1.00 33.30 H new ATOM 0 HG SER A 65 -9.691 -2.866 -4.403 1.00 61.33 H new ATOM 1044 N THR A 66 -5.705 -4.214 -7.467 1.00 21.11 N ATOM 1045 CA THR A 66 -4.296 -4.392 -7.809 1.00 73.01 C ATOM 1046 C THR A 66 -3.552 -3.101 -7.436 1.00 21.21 C ATOM 1047 O THR A 66 -3.742 -2.042 -8.046 1.00 62.53 O ATOM 1048 CB THR A 66 -4.156 -4.909 -9.262 1.00 41.42 C ATOM 1049 OG1 THR A 66 -2.827 -5.269 -9.583 1.00 51.24 O ATOM 1050 CG2 THR A 66 -4.696 -4.009 -10.377 1.00 20.55 C ATOM 0 H THR A 66 -6.318 -4.046 -8.265 1.00 21.11 H new ATOM 0 HA THR A 66 -3.809 -5.178 -7.232 1.00 73.01 H new ATOM 0 HB THR A 66 -4.807 -5.783 -9.240 1.00 41.42 H new ATOM 0 HG1 THR A 66 -2.789 -5.590 -10.508 1.00 51.24 H new ATOM 0 HG21 THR A 66 -4.535 -4.489 -11.342 1.00 20.55 H new ATOM 0 HG22 THR A 66 -5.763 -3.845 -10.227 1.00 20.55 H new ATOM 0 HG23 THR A 66 -4.175 -3.052 -10.356 1.00 20.55 H new ATOM 1058 N LEU A 67 -2.757 -3.166 -6.368 1.00 21.45 N ATOM 1059 CA LEU A 67 -1.960 -2.072 -5.823 1.00 45.30 C ATOM 1060 C LEU A 67 -0.507 -2.279 -6.235 1.00 34.43 C ATOM 1061 O LEU A 67 0.046 -3.356 -6.005 1.00 54.33 O ATOM 1062 CB LEU A 67 -2.094 -2.095 -4.293 1.00 34.44 C ATOM 1063 CG LEU A 67 -3.363 -1.354 -3.838 1.00 14.45 C ATOM 1064 CD1 LEU A 67 -3.855 -1.942 -2.521 1.00 55.31 C ATOM 1065 CD2 LEU A 67 -3.090 0.148 -3.667 1.00 44.11 C ATOM 0 H LEU A 67 -2.647 -4.028 -5.834 1.00 21.45 H new ATOM 0 HA LEU A 67 -2.302 -1.108 -6.200 1.00 45.30 H new ATOM 0 HB2 LEU A 67 -2.126 -3.127 -3.943 1.00 34.44 H new ATOM 0 HB3 LEU A 67 -1.217 -1.632 -3.841 1.00 34.44 H new ATOM 0 HG LEU A 67 -4.129 -1.478 -4.604 1.00 14.45 H new ATOM 0 HD11 LEU A 67 -4.754 -1.415 -2.201 1.00 55.31 H new ATOM 0 HD12 LEU A 67 -4.083 -2.999 -2.657 1.00 55.31 H new ATOM 0 HD13 LEU A 67 -3.081 -1.833 -1.762 1.00 55.31 H new ATOM 0 HD21 LEU A 67 -4.003 0.649 -3.345 1.00 44.11 H new ATOM 0 HD22 LEU A 67 -2.312 0.293 -2.917 1.00 44.11 H new ATOM 0 HD23 LEU A 67 -2.761 0.569 -4.617 1.00 44.11 H new ATOM 1077 N HIS A 68 0.105 -1.246 -6.816 1.00 12.15 N ATOM 1078 CA HIS A 68 1.482 -1.247 -7.284 1.00 31.44 C ATOM 1079 C HIS A 68 2.381 -0.571 -6.238 1.00 62.53 C ATOM 1080 O HIS A 68 2.452 0.660 -6.167 1.00 34.33 O ATOM 1081 CB HIS A 68 1.516 -0.537 -8.645 1.00 44.34 C ATOM 1082 CG HIS A 68 2.730 -0.881 -9.457 1.00 10.42 C ATOM 1083 ND1 HIS A 68 3.913 -0.175 -9.539 1.00 74.03 N ATOM 1084 CD2 HIS A 68 2.837 -1.986 -10.249 1.00 52.24 C ATOM 1085 CE1 HIS A 68 4.729 -0.857 -10.361 1.00 42.00 C ATOM 1086 NE2 HIS A 68 4.124 -1.978 -10.793 1.00 3.54 N ATOM 0 H HIS A 68 -0.366 -0.356 -6.977 1.00 12.15 H new ATOM 0 HA HIS A 68 1.863 -2.260 -7.415 1.00 31.44 H new ATOM 0 HB2 HIS A 68 0.622 -0.802 -9.209 1.00 44.34 H new ATOM 0 HB3 HIS A 68 1.485 0.541 -8.487 1.00 44.34 H new ATOM 0 HD2 HIS A 68 2.071 -2.728 -10.423 1.00 52.24 H new ATOM 0 HE1 HIS A 68 5.727 -0.549 -10.635 1.00 42.00 H new ATOM 0 HE2 HIS A 68 4.529 -2.688 -11.403 1.00 3.54 H new ATOM 1094 N LEU A 69 3.081 -1.374 -5.432 1.00 14.44 N ATOM 1095 CA LEU A 69 3.973 -0.902 -4.373 1.00 1.23 C ATOM 1096 C LEU A 69 5.389 -0.674 -4.897 1.00 50.42 C ATOM 1097 O LEU A 69 6.031 -1.597 -5.417 1.00 74.44 O ATOM 1098 CB LEU A 69 3.958 -1.919 -3.222 1.00 33.30 C ATOM 1099 CG LEU A 69 5.009 -1.694 -2.119 1.00 34.42 C ATOM 1100 CD1 LEU A 69 4.838 -0.336 -1.433 1.00 53.04 C ATOM 1101 CD2 LEU A 69 4.915 -2.812 -1.075 1.00 62.44 C ATOM 0 H LEU A 69 3.042 -2.391 -5.500 1.00 14.44 H new ATOM 0 HA LEU A 69 3.618 0.061 -4.007 1.00 1.23 H new ATOM 0 HB2 LEU A 69 2.969 -1.907 -2.764 1.00 33.30 H new ATOM 0 HB3 LEU A 69 4.104 -2.915 -3.640 1.00 33.30 H new ATOM 0 HG LEU A 69 5.990 -1.707 -2.593 1.00 34.42 H new ATOM 0 HD11 LEU A 69 5.600 -0.219 -0.662 1.00 53.04 H new ATOM 0 HD12 LEU A 69 4.943 0.460 -2.170 1.00 53.04 H new ATOM 0 HD13 LEU A 69 3.849 -0.280 -0.977 1.00 53.04 H new ATOM 0 HD21 LEU A 69 5.661 -2.647 -0.297 1.00 62.44 H new ATOM 0 HD22 LEU A 69 3.920 -2.811 -0.630 1.00 62.44 H new ATOM 0 HD23 LEU A 69 5.097 -3.774 -1.554 1.00 62.44 H new ATOM 1113 N VAL A 70 5.907 0.543 -4.716 1.00 31.43 N ATOM 1114 CA VAL A 70 7.244 0.929 -5.148 1.00 62.12 C ATOM 1115 C VAL A 70 8.057 1.380 -3.929 1.00 41.13 C ATOM 1116 O VAL A 70 7.599 2.235 -3.168 1.00 42.51 O ATOM 1117 CB VAL A 70 7.182 1.931 -6.320 1.00 13.11 C ATOM 1118 CG1 VAL A 70 6.258 1.413 -7.433 1.00 73.01 C ATOM 1119 CG2 VAL A 70 6.704 3.329 -5.932 1.00 52.21 C ATOM 0 H VAL A 70 5.397 1.298 -4.257 1.00 31.43 H new ATOM 0 HA VAL A 70 7.781 0.077 -5.565 1.00 62.12 H new ATOM 0 HB VAL A 70 8.214 2.015 -6.661 1.00 13.11 H new ATOM 0 HG11 VAL A 70 6.230 2.136 -8.248 1.00 73.01 H new ATOM 0 HG12 VAL A 70 6.635 0.461 -7.805 1.00 73.01 H new ATOM 0 HG13 VAL A 70 5.252 1.275 -7.036 1.00 73.01 H new ATOM 0 HG21 VAL A 70 6.691 3.967 -6.815 1.00 52.21 H new ATOM 0 HG22 VAL A 70 5.699 3.267 -5.514 1.00 52.21 H new ATOM 0 HG23 VAL A 70 7.380 3.752 -5.189 1.00 52.21 H new ATOM 1129 N LEU A 71 9.234 0.773 -3.730 1.00 14.54 N ATOM 1130 CA LEU A 71 10.170 1.055 -2.645 1.00 20.43 C ATOM 1131 C LEU A 71 11.428 1.603 -3.312 1.00 33.34 C ATOM 1132 O LEU A 71 12.072 0.890 -4.085 1.00 62.23 O ATOM 1133 CB LEU A 71 10.564 -0.200 -1.838 1.00 74.31 C ATOM 1134 CG LEU A 71 9.511 -0.996 -1.045 1.00 2.14 C ATOM 1135 CD1 LEU A 71 8.527 -0.105 -0.296 1.00 64.05 C ATOM 1136 CD2 LEU A 71 8.749 -1.987 -1.923 1.00 52.43 C ATOM 0 H LEU A 71 9.571 0.039 -4.352 1.00 14.54 H new ATOM 0 HA LEU A 71 9.702 1.746 -1.944 1.00 20.43 H new ATOM 0 HB2 LEU A 71 11.030 -0.895 -2.536 1.00 74.31 H new ATOM 0 HB3 LEU A 71 11.334 0.105 -1.129 1.00 74.31 H new ATOM 0 HG LEU A 71 10.081 -1.557 -0.304 1.00 2.14 H new ATOM 0 HD11 LEU A 71 7.811 -0.726 0.243 1.00 64.05 H new ATOM 0 HD12 LEU A 71 9.070 0.521 0.412 1.00 64.05 H new ATOM 0 HD13 LEU A 71 7.996 0.528 -1.007 1.00 64.05 H new ATOM 0 HD21 LEU A 71 8.019 -2.523 -1.317 1.00 52.43 H new ATOM 0 HD22 LEU A 71 8.235 -1.448 -2.718 1.00 52.43 H new ATOM 0 HD23 LEU A 71 9.449 -2.698 -2.361 1.00 52.43 H new ATOM 1148 N ARG A 72 11.755 2.871 -3.069 1.00 5.00 N ATOM 1149 CA ARG A 72 12.932 3.515 -3.651 1.00 2.11 C ATOM 1150 C ARG A 72 14.236 3.026 -3.005 1.00 41.21 C ATOM 1151 O ARG A 72 15.303 3.293 -3.557 1.00 43.13 O ATOM 1152 CB ARG A 72 12.738 5.039 -3.515 1.00 13.34 C ATOM 1153 CG ARG A 72 13.819 5.905 -4.168 1.00 11.31 C ATOM 1154 CD ARG A 72 13.379 7.375 -4.217 1.00 15.50 C ATOM 1155 NE ARG A 72 12.804 7.743 -5.524 1.00 51.02 N ATOM 1156 CZ ARG A 72 12.158 8.880 -5.814 1.00 21.24 C ATOM 1157 NH1 ARG A 72 11.690 9.677 -4.860 1.00 13.21 N ATOM 1158 NH2 ARG A 72 11.983 9.225 -7.084 1.00 23.41 N ATOM 0 H ARG A 72 11.210 3.483 -2.461 1.00 5.00 H new ATOM 0 HA ARG A 72 13.026 3.249 -4.704 1.00 2.11 H new ATOM 0 HB2 ARG A 72 11.774 5.305 -3.949 1.00 13.34 H new ATOM 0 HB3 ARG A 72 12.690 5.288 -2.455 1.00 13.34 H new ATOM 0 HG2 ARG A 72 14.750 5.817 -3.608 1.00 11.31 H new ATOM 0 HG3 ARG A 72 14.019 5.546 -5.178 1.00 11.31 H new ATOM 0 HD2 ARG A 72 12.643 7.558 -3.434 1.00 15.50 H new ATOM 0 HD3 ARG A 72 14.235 8.016 -4.006 1.00 15.50 H new ATOM 0 HE ARG A 72 12.908 7.066 -6.280 1.00 51.02 H new ATOM 0 HH11 ARG A 72 11.819 9.429 -3.879 1.00 13.21 H new ATOM 0 HH12 ARG A 72 11.202 10.537 -5.108 1.00 13.21 H new ATOM 0 HH21 ARG A 72 12.339 8.626 -7.829 1.00 23.41 H new ATOM 0 HH22 ARG A 72 11.492 10.089 -7.315 1.00 23.41 H new ATOM 1172 N LEU A 73 14.181 2.335 -1.861 1.00 61.33 N ATOM 1173 CA LEU A 73 15.350 1.828 -1.145 1.00 74.31 C ATOM 1174 C LEU A 73 14.960 0.539 -0.396 1.00 63.10 C ATOM 1175 O LEU A 73 13.768 0.296 -0.182 1.00 44.41 O ATOM 1176 CB LEU A 73 15.805 2.975 -0.218 1.00 53.12 C ATOM 1177 CG LEU A 73 17.167 2.817 0.478 1.00 52.02 C ATOM 1178 CD1 LEU A 73 18.315 2.814 -0.540 1.00 12.13 C ATOM 1179 CD2 LEU A 73 17.348 4.004 1.433 1.00 60.22 C ATOM 0 H LEU A 73 13.300 2.109 -1.399 1.00 61.33 H new ATOM 0 HA LEU A 73 16.178 1.551 -1.797 1.00 74.31 H new ATOM 0 HB2 LEU A 73 15.830 3.894 -0.804 1.00 53.12 H new ATOM 0 HB3 LEU A 73 15.045 3.109 0.552 1.00 53.12 H new ATOM 0 HG LEU A 73 17.188 1.868 1.014 1.00 52.02 H new ATOM 0 HD11 LEU A 73 19.265 2.701 -0.017 1.00 12.13 H new ATOM 0 HD12 LEU A 73 18.183 1.985 -1.235 1.00 12.13 H new ATOM 0 HD13 LEU A 73 18.314 3.754 -1.092 1.00 12.13 H new ATOM 0 HD21 LEU A 73 18.308 3.918 1.942 1.00 60.22 H new ATOM 0 HD22 LEU A 73 17.320 4.935 0.866 1.00 60.22 H new ATOM 0 HD23 LEU A 73 16.545 4.004 2.170 1.00 60.22 H new ATOM 1191 N ARG A 74 15.924 -0.290 0.031 1.00 54.45 N ATOM 1192 CA ARG A 74 15.677 -1.541 0.758 1.00 24.54 C ATOM 1193 C ARG A 74 16.709 -1.714 1.867 1.00 61.35 C ATOM 1194 O ARG A 74 17.908 -1.769 1.578 1.00 62.23 O ATOM 1195 CB ARG A 74 15.750 -2.750 -0.198 1.00 60.03 C ATOM 1196 CG ARG A 74 15.251 -4.045 0.474 1.00 35.24 C ATOM 1197 CD ARG A 74 15.473 -5.285 -0.400 1.00 34.14 C ATOM 1198 NE ARG A 74 14.625 -5.278 -1.603 1.00 51.01 N ATOM 1199 CZ ARG A 74 14.618 -6.211 -2.562 1.00 31.43 C ATOM 1200 NH1 ARG A 74 15.483 -7.214 -2.543 1.00 4.34 N ATOM 1201 NH2 ARG A 74 13.761 -6.122 -3.570 1.00 41.40 N ATOM 0 H ARG A 74 16.915 -0.105 -0.123 1.00 54.45 H new ATOM 0 HA ARG A 74 14.678 -1.491 1.192 1.00 24.54 H new ATOM 0 HB2 ARG A 74 15.151 -2.548 -1.086 1.00 60.03 H new ATOM 0 HB3 ARG A 74 16.778 -2.887 -0.532 1.00 60.03 H new ATOM 0 HG2 ARG A 74 15.766 -4.178 1.425 1.00 35.24 H new ATOM 0 HG3 ARG A 74 14.189 -3.948 0.698 1.00 35.24 H new ATOM 0 HD2 ARG A 74 16.521 -5.335 -0.697 1.00 34.14 H new ATOM 0 HD3 ARG A 74 15.264 -6.181 0.184 1.00 34.14 H new ATOM 0 HE ARG A 74 13.985 -4.491 -1.716 1.00 51.01 H new ATOM 0 HH11 ARG A 74 16.167 -7.283 -1.790 1.00 4.34 H new ATOM 0 HH12 ARG A 74 15.465 -7.917 -3.282 1.00 4.34 H new ATOM 0 HH21 ARG A 74 13.106 -5.341 -3.615 1.00 41.40 H new ATOM 0 HH22 ARG A 74 13.757 -6.834 -4.300 1.00 41.40 H new ATOM 1215 N GLY A 75 16.261 -1.815 3.111 1.00 13.13 N ATOM 1216 CA GLY A 75 17.092 -2.008 4.285 1.00 4.04 C ATOM 1217 C GLY A 75 17.284 -3.504 4.539 1.00 71.21 C ATOM 1218 O GLY A 75 17.383 -4.311 3.605 1.00 22.23 O ATOM 0 H GLY A 75 15.267 -1.762 3.336 1.00 13.13 H new ATOM 0 HA2 GLY A 75 18.059 -1.526 4.141 1.00 4.04 H new ATOM 0 HA3 GLY A 75 16.628 -1.538 5.152 1.00 4.04 H new ATOM 1222 N GLY A 76 17.349 -3.870 5.814 1.00 20.31 N ATOM 1223 CA GLY A 76 17.519 -5.217 6.326 1.00 44.13 C ATOM 1224 C GLY A 76 17.546 -5.103 7.834 1.00 45.20 C ATOM 1225 O GLY A 76 18.062 -4.074 8.327 1.00 42.42 O ATOM 0 H GLY A 76 17.279 -3.184 6.565 1.00 20.31 H new ATOM 0 HA2 GLY A 76 16.703 -5.862 6.000 1.00 44.13 H new ATOM 0 HA3 GLY A 76 18.443 -5.660 5.954 1.00 44.13 H new TER 1229 GLY A 76