USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 543 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 Set 1.1: A 33 HIS : no HE2:sc= 0.0759 K(o=-0.64,f=-2.5!) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= -0.717 USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= -0.298 USER MOD Set 2.2: A 17 ASN :FLIP amide:sc=-0.00536 F(o=-1.2,f=-0.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.39 K(o=-0.39,f=-3.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.12) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.198 F(o=-0.94,f=-0.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00853 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc=-0.00109 K(o=-0.0011,f=-1.2) USER MOD Single : A 25 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0491) USER MOD Single : A 59 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.61) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.13 K(o=1.1,f=-2.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.375 13.605 2.737 1.00 73.12 N ATOM 2 CA MET A 1 5.071 12.989 4.028 1.00 34.34 C ATOM 3 C MET A 1 3.576 12.986 4.287 1.00 12.12 C ATOM 4 O MET A 1 2.965 14.038 4.441 1.00 60.45 O ATOM 5 CB MET A 1 5.777 13.739 5.164 1.00 25.34 C ATOM 6 CG MET A 1 5.473 13.191 6.550 1.00 0.43 C ATOM 7 SD MET A 1 6.257 14.140 7.860 1.00 14.14 S ATOM 8 CE MET A 1 5.663 13.255 9.298 1.00 2.45 C ATOM 0 H1 MET A 1 6.403 13.596 2.582 1.00 73.12 H new ATOM 0 H2 MET A 1 4.905 13.071 1.978 1.00 73.12 H new ATOM 0 H3 MET A 1 5.033 14.587 2.732 1.00 73.12 H new ATOM 0 HA MET A 1 5.430 11.960 3.995 1.00 34.34 H new ATOM 0 HB2 MET A 1 6.853 13.700 4.997 1.00 25.34 H new ATOM 0 HB3 MET A 1 5.487 14.789 5.128 1.00 25.34 H new ATOM 0 HG2 MET A 1 4.394 13.187 6.706 1.00 0.43 H new ATOM 0 HG3 MET A 1 5.807 12.155 6.608 1.00 0.43 H new ATOM 0 HE1 MET A 1 6.060 13.719 10.201 1.00 2.45 H new ATOM 0 HE2 MET A 1 4.574 13.289 9.322 1.00 2.45 H new ATOM 0 HE3 MET A 1 5.993 12.217 9.249 1.00 2.45 H new ATOM 20 N ALA A 2 2.989 11.820 4.314 1.00 30.24 N ATOM 21 CA ALA A 2 1.590 11.677 4.637 1.00 62.53 C ATOM 22 C ALA A 2 1.402 10.404 5.443 1.00 14.21 C ATOM 23 O ALA A 2 1.688 9.314 4.961 1.00 34.24 O ATOM 24 CB ALA A 2 0.759 11.651 3.362 1.00 54.33 C ATOM 0 H ALA A 2 3.465 10.940 4.113 1.00 30.24 H new ATOM 0 HA ALA A 2 1.254 12.526 5.232 1.00 62.53 H new ATOM 0 HB1 ALA A 2 -0.295 11.543 3.617 1.00 54.33 H new ATOM 0 HB2 ALA A 2 0.906 12.581 2.813 1.00 54.33 H new ATOM 0 HB3 ALA A 2 1.070 10.810 2.742 1.00 54.33 H new ATOM 30 N THR A 3 0.969 10.545 6.668 1.00 73.00 N ATOM 31 CA THR A 3 0.779 9.411 7.541 1.00 24.44 C ATOM 32 C THR A 3 -0.704 9.122 7.750 1.00 64.55 C ATOM 33 O THR A 3 -1.520 10.057 7.786 1.00 40.35 O ATOM 34 CB THR A 3 1.480 9.637 8.898 1.00 2.41 C ATOM 35 OG1 THR A 3 1.028 10.874 9.490 1.00 65.43 O ATOM 36 CG2 THR A 3 2.993 9.689 8.720 1.00 52.45 C ATOM 0 H THR A 3 0.738 11.444 7.090 1.00 73.00 H new ATOM 0 HA THR A 3 1.231 8.543 7.060 1.00 24.44 H new ATOM 0 HB THR A 3 1.228 8.804 9.554 1.00 2.41 H new ATOM 0 HG1 THR A 3 1.477 11.008 10.351 1.00 65.43 H new ATOM 0 HG21 THR A 3 3.468 9.849 9.688 1.00 52.45 H new ATOM 0 HG22 THR A 3 3.342 8.748 8.296 1.00 52.45 H new ATOM 0 HG23 THR A 3 3.252 10.508 8.049 1.00 52.45 H new ATOM 44 N ASN A 4 -1.034 7.841 7.882 1.00 51.14 N ATOM 45 CA ASN A 4 -2.412 7.348 8.043 1.00 25.12 C ATOM 46 C ASN A 4 -3.258 7.784 6.853 1.00 43.44 C ATOM 47 O ASN A 4 -3.971 8.804 6.886 1.00 1.33 O ATOM 48 CB ASN A 4 -3.045 7.763 9.399 1.00 43.05 C ATOM 49 CG ASN A 4 -4.436 7.153 9.682 1.00 44.21 C ATOM 50 OD1 ASN A 4 -5.216 6.855 8.780 1.00 15.40 O ATOM 51 ND2 ASN A 4 -4.753 6.990 10.938 1.00 51.52 N ATOM 0 H ASN A 4 -0.340 7.094 7.881 1.00 51.14 H new ATOM 0 HA ASN A 4 -2.379 6.259 8.064 1.00 25.12 H new ATOM 0 HB2 ASN A 4 -2.368 7.475 10.203 1.00 43.05 H new ATOM 0 HB3 ASN A 4 -3.128 8.849 9.427 1.00 43.05 H new ATOM 0 HD21 ASN A 4 -5.665 6.608 11.188 1.00 51.52 H new ATOM 0 HD22 ASN A 4 -4.089 7.245 11.669 1.00 51.52 H new ATOM 58 N ILE A 5 -3.083 7.075 5.788 1.00 52.04 N ATOM 59 CA ILE A 5 -3.748 7.326 4.550 1.00 61.44 C ATOM 60 C ILE A 5 -4.774 6.271 4.291 1.00 54.21 C ATOM 61 O ILE A 5 -4.619 5.127 4.711 1.00 2.44 O ATOM 62 CB ILE A 5 -2.722 7.297 3.409 1.00 31.10 C ATOM 63 CG1 ILE A 5 -1.656 8.322 3.682 1.00 62.42 C ATOM 64 CG2 ILE A 5 -3.365 7.510 2.032 1.00 55.31 C ATOM 65 CD1 ILE A 5 -0.646 8.421 2.607 1.00 44.24 C ATOM 0 H ILE A 5 -2.450 6.276 5.753 1.00 52.04 H new ATOM 0 HA ILE A 5 -4.233 8.301 4.604 1.00 61.44 H new ATOM 0 HB ILE A 5 -2.274 6.304 3.376 1.00 31.10 H new ATOM 0 HG12 ILE A 5 -2.126 9.296 3.819 1.00 62.42 H new ATOM 0 HG13 ILE A 5 -1.156 8.074 4.618 1.00 62.42 H new ATOM 0 HG21 ILE A 5 -2.594 7.480 1.262 1.00 55.31 H new ATOM 0 HG22 ILE A 5 -4.095 6.722 1.846 1.00 55.31 H new ATOM 0 HG23 ILE A 5 -3.863 8.479 2.009 1.00 55.31 H new ATOM 0 HD11 ILE A 5 0.092 9.179 2.870 1.00 44.24 H new ATOM 0 HD12 ILE A 5 -0.150 7.458 2.484 1.00 44.24 H new ATOM 0 HD13 ILE A 5 -1.135 8.699 1.673 1.00 44.24 H new ATOM 77 N VAL A 6 -5.802 6.657 3.614 1.00 63.12 N ATOM 78 CA VAL A 6 -6.835 5.764 3.226 1.00 63.21 C ATOM 79 C VAL A 6 -6.555 5.229 1.846 1.00 62.33 C ATOM 80 O VAL A 6 -6.199 5.982 0.937 1.00 23.12 O ATOM 81 CB VAL A 6 -8.208 6.460 3.184 1.00 2.24 C ATOM 82 CG1 VAL A 6 -9.277 5.515 2.653 1.00 73.31 C ATOM 83 CG2 VAL A 6 -8.590 7.003 4.547 1.00 2.04 C ATOM 0 H VAL A 6 -5.949 7.620 3.310 1.00 63.12 H new ATOM 0 HA VAL A 6 -6.859 4.963 3.965 1.00 63.21 H new ATOM 0 HB VAL A 6 -8.134 7.306 2.500 1.00 2.24 H new ATOM 0 HG11 VAL A 6 -10.238 6.028 2.632 1.00 73.31 H new ATOM 0 HG12 VAL A 6 -9.013 5.197 1.644 1.00 73.31 H new ATOM 0 HG13 VAL A 6 -9.346 4.642 3.302 1.00 73.31 H new ATOM 0 HG21 VAL A 6 -9.564 7.489 4.485 1.00 2.04 H new ATOM 0 HG22 VAL A 6 -8.638 6.184 5.265 1.00 2.04 H new ATOM 0 HG23 VAL A 6 -7.843 7.727 4.872 1.00 2.04 H new ATOM 93 N GLY A 7 -6.682 3.962 1.701 1.00 34.21 N ATOM 94 CA GLY A 7 -6.627 3.381 0.423 1.00 74.21 C ATOM 95 C GLY A 7 -7.279 2.050 0.391 1.00 53.22 C ATOM 96 O GLY A 7 -7.593 1.487 1.410 1.00 43.21 O ATOM 0 H GLY A 7 -6.827 3.304 2.467 1.00 34.21 H new ATOM 0 HA2 GLY A 7 -7.113 4.040 -0.296 1.00 74.21 H new ATOM 0 HA3 GLY A 7 -5.586 3.283 0.114 1.00 74.21 H new ATOM 100 N LYS A 8 -7.536 1.597 -0.767 1.00 42.11 N ATOM 101 CA LYS A 8 -8.059 0.299 -1.007 1.00 72.34 C ATOM 102 C LYS A 8 -6.985 -0.493 -1.698 1.00 11.33 C ATOM 103 O LYS A 8 -6.338 0.021 -2.623 1.00 3.11 O ATOM 104 CB LYS A 8 -9.272 0.389 -1.934 1.00 41.14 C ATOM 105 CG LYS A 8 -9.868 -0.940 -2.304 1.00 21.33 C ATOM 106 CD LYS A 8 -10.854 -0.793 -3.442 1.00 34.42 C ATOM 107 CE LYS A 8 -10.157 -0.448 -4.769 1.00 64.52 C ATOM 108 NZ LYS A 8 -11.106 -0.408 -5.907 1.00 64.31 N ATOM 0 H LYS A 8 -7.384 2.137 -1.619 1.00 42.11 H new ATOM 0 HA LYS A 8 -8.362 -0.167 -0.069 1.00 72.34 H new ATOM 0 HB2 LYS A 8 -10.038 0.996 -1.452 1.00 41.14 H new ATOM 0 HB3 LYS A 8 -8.980 0.909 -2.846 1.00 41.14 H new ATOM 0 HG2 LYS A 8 -9.075 -1.631 -2.592 1.00 21.33 H new ATOM 0 HG3 LYS A 8 -10.369 -1.372 -1.438 1.00 21.33 H new ATOM 0 HD2 LYS A 8 -11.415 -1.721 -3.558 1.00 34.42 H new ATOM 0 HD3 LYS A 8 -11.575 -0.013 -3.198 1.00 34.42 H new ATOM 0 HE2 LYS A 8 -9.662 0.519 -4.677 1.00 64.52 H new ATOM 0 HE3 LYS A 8 -9.380 -1.185 -4.972 1.00 64.52 H new ATOM 0 HZ1 LYS A 8 -10.592 -0.172 -6.780 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 -11.560 -1.338 -6.013 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 -11.833 0.314 -5.728 1.00 64.31 H new ATOM 122 N VAL A 9 -6.768 -1.707 -1.256 1.00 63.04 N ATOM 123 CA VAL A 9 -5.808 -2.568 -1.905 1.00 41.23 C ATOM 124 C VAL A 9 -6.298 -2.825 -3.314 1.00 34.21 C ATOM 125 O VAL A 9 -7.338 -3.476 -3.529 1.00 75.02 O ATOM 126 CB VAL A 9 -5.581 -3.909 -1.150 1.00 31.52 C ATOM 127 CG1 VAL A 9 -4.522 -4.759 -1.858 1.00 64.35 C ATOM 128 CG2 VAL A 9 -5.169 -3.652 0.290 1.00 22.20 C ATOM 0 H VAL A 9 -7.241 -2.121 -0.453 1.00 63.04 H new ATOM 0 HA VAL A 9 -4.840 -2.068 -1.910 1.00 41.23 H new ATOM 0 HB VAL A 9 -6.523 -4.458 -1.150 1.00 31.52 H new ATOM 0 HG11 VAL A 9 -4.380 -5.692 -1.312 1.00 64.35 H new ATOM 0 HG12 VAL A 9 -4.851 -4.979 -2.873 1.00 64.35 H new ATOM 0 HG13 VAL A 9 -3.580 -4.212 -1.893 1.00 64.35 H new ATOM 0 HG21 VAL A 9 -5.015 -4.603 0.800 1.00 22.20 H new ATOM 0 HG22 VAL A 9 -4.243 -3.078 0.306 1.00 22.20 H new ATOM 0 HG23 VAL A 9 -5.953 -3.091 0.798 1.00 22.20 H new ATOM 138 N LYS A 10 -5.582 -2.261 -4.240 1.00 10.01 N ATOM 139 CA LYS A 10 -5.910 -2.290 -5.631 1.00 3.20 C ATOM 140 C LYS A 10 -5.595 -3.668 -6.195 1.00 14.33 C ATOM 141 O LYS A 10 -6.438 -4.293 -6.842 1.00 44.12 O ATOM 142 CB LYS A 10 -5.098 -1.188 -6.278 1.00 3.53 C ATOM 143 CG LYS A 10 -5.264 -0.962 -7.747 1.00 51.03 C ATOM 144 CD LYS A 10 -4.371 0.198 -8.130 1.00 45.13 C ATOM 145 CE LYS A 10 -4.308 0.439 -9.603 1.00 43.44 C ATOM 146 NZ LYS A 10 -5.637 0.692 -10.185 1.00 4.32 N ATOM 0 H LYS A 10 -4.723 -1.750 -4.039 1.00 10.01 H new ATOM 0 HA LYS A 10 -6.969 -2.119 -5.822 1.00 3.20 H new ATOM 0 HB2 LYS A 10 -5.336 -0.255 -5.768 1.00 3.53 H new ATOM 0 HB3 LYS A 10 -4.045 -1.395 -6.089 1.00 3.53 H new ATOM 0 HG2 LYS A 10 -4.992 -1.857 -8.306 1.00 51.03 H new ATOM 0 HG3 LYS A 10 -6.304 -0.741 -7.986 1.00 51.03 H new ATOM 0 HD2 LYS A 10 -4.730 1.101 -7.637 1.00 45.13 H new ATOM 0 HD3 LYS A 10 -3.364 0.010 -7.757 1.00 45.13 H new ATOM 0 HE2 LYS A 10 -3.658 1.291 -9.802 1.00 43.44 H new ATOM 0 HE3 LYS A 10 -3.858 -0.425 -10.092 1.00 43.44 H new ATOM 0 HZ1 LYS A 10 -5.535 0.937 -11.191 1.00 4.32 H new ATOM 0 HZ2 LYS A 10 -6.224 -0.162 -10.094 1.00 4.32 H new ATOM 0 HZ3 LYS A 10 -6.092 1.480 -9.681 1.00 4.32 H new ATOM 160 N TRP A 11 -4.398 -4.137 -5.923 1.00 10.52 N ATOM 161 CA TRP A 11 -3.974 -5.478 -6.282 1.00 63.41 C ATOM 162 C TRP A 11 -2.699 -5.779 -5.574 1.00 35.40 C ATOM 163 O TRP A 11 -2.013 -4.857 -5.124 1.00 2.31 O ATOM 164 CB TRP A 11 -3.805 -5.702 -7.810 1.00 60.42 C ATOM 165 CG TRP A 11 -2.742 -4.880 -8.494 1.00 53.30 C ATOM 166 CD1 TRP A 11 -2.872 -3.642 -9.047 1.00 72.44 C ATOM 167 CD2 TRP A 11 -1.392 -5.277 -8.719 1.00 32.40 C ATOM 168 NE1 TRP A 11 -1.672 -3.243 -9.590 1.00 4.43 N ATOM 169 CE2 TRP A 11 -0.748 -4.234 -9.396 1.00 2.23 C ATOM 170 CE3 TRP A 11 -0.673 -6.417 -8.401 1.00 11.23 C ATOM 171 CZ2 TRP A 11 0.593 -4.303 -9.760 1.00 42.54 C ATOM 172 CZ3 TRP A 11 0.653 -6.487 -8.761 1.00 5.31 C ATOM 173 CH2 TRP A 11 1.275 -5.436 -9.433 1.00 60.23 C ATOM 0 H TRP A 11 -3.681 -3.595 -5.441 1.00 10.52 H new ATOM 0 HA TRP A 11 -4.768 -6.159 -5.974 1.00 63.41 H new ATOM 0 HB2 TRP A 11 -3.583 -6.756 -7.978 1.00 60.42 H new ATOM 0 HB3 TRP A 11 -4.760 -5.496 -8.293 1.00 60.42 H new ATOM 0 HD1 TRP A 11 -3.782 -3.060 -9.058 1.00 72.44 H new ATOM 0 HE1 TRP A 11 -1.499 -2.354 -10.060 1.00 4.43 H new ATOM 0 HE3 TRP A 11 -1.145 -7.237 -7.880 1.00 11.23 H new ATOM 0 HZ2 TRP A 11 1.075 -3.489 -10.282 1.00 42.54 H new ATOM 0 HZ3 TRP A 11 1.222 -7.372 -8.519 1.00 5.31 H new ATOM 0 HH2 TRP A 11 2.318 -5.522 -9.700 1.00 60.23 H new ATOM 184 N TYR A 12 -2.380 -7.032 -5.469 1.00 12.31 N ATOM 185 CA TYR A 12 -1.160 -7.455 -4.814 1.00 2.53 C ATOM 186 C TYR A 12 -0.812 -8.871 -5.222 1.00 11.21 C ATOM 187 O TYR A 12 -1.566 -9.807 -4.955 1.00 53.22 O ATOM 188 CB TYR A 12 -1.294 -7.352 -3.276 1.00 73.14 C ATOM 189 CG TYR A 12 -0.023 -7.680 -2.506 1.00 34.40 C ATOM 190 CD1 TYR A 12 0.957 -6.718 -2.322 1.00 20.33 C ATOM 191 CD2 TYR A 12 0.192 -8.946 -1.967 1.00 4.15 C ATOM 192 CE1 TYR A 12 2.116 -7.000 -1.625 1.00 44.01 C ATOM 193 CE2 TYR A 12 1.349 -9.236 -1.266 1.00 4.32 C ATOM 194 CZ TYR A 12 2.308 -8.257 -1.100 1.00 23.22 C ATOM 195 OH TYR A 12 3.468 -8.540 -0.401 1.00 54.44 O ATOM 0 H TYR A 12 -2.950 -7.796 -5.831 1.00 12.31 H new ATOM 0 HA TYR A 12 -0.354 -6.791 -5.127 1.00 2.53 H new ATOM 0 HB2 TYR A 12 -1.608 -6.340 -3.019 1.00 73.14 H new ATOM 0 HB3 TYR A 12 -2.086 -8.025 -2.948 1.00 73.14 H new ATOM 0 HD1 TYR A 12 0.812 -5.729 -2.731 1.00 20.33 H new ATOM 0 HD2 TYR A 12 -0.556 -9.714 -2.098 1.00 4.15 H new ATOM 0 HE1 TYR A 12 2.868 -6.237 -1.493 1.00 44.01 H new ATOM 0 HE2 TYR A 12 1.501 -10.222 -0.851 1.00 4.32 H new ATOM 0 HH TYR A 12 3.447 -9.471 -0.096 1.00 54.44 H new ATOM 205 N ASN A 13 0.306 -9.032 -5.878 1.00 33.24 N ATOM 206 CA ASN A 13 0.765 -10.349 -6.246 1.00 42.13 C ATOM 207 C ASN A 13 1.663 -10.849 -5.155 1.00 23.03 C ATOM 208 O ASN A 13 2.795 -10.381 -5.014 1.00 12.12 O ATOM 209 CB ASN A 13 1.507 -10.379 -7.602 1.00 63.42 C ATOM 210 CG ASN A 13 0.646 -9.991 -8.804 1.00 13.32 C ATOM 211 OD1 ASN A 13 -0.644 -10.236 -8.734 1.00 31.30 O flip ATOM 212 ND2 ASN A 13 1.155 -9.469 -9.798 1.00 44.51 N flip ATOM 0 H ASN A 13 0.917 -8.269 -6.170 1.00 33.24 H new ATOM 0 HA ASN A 13 -0.107 -10.991 -6.367 1.00 42.13 H new ATOM 0 HB2 ASN A 13 2.361 -9.704 -7.550 1.00 63.42 H new ATOM 0 HB3 ASN A 13 1.903 -11.382 -7.763 1.00 63.42 H new ATOM 0 HD21 ASN A 13 2.159 -9.291 -9.823 1.00 44.51 H new ATOM 0 HD22 ASN A 13 0.572 -9.215 -10.595 1.00 44.51 H new ATOM 219 N SER A 14 1.148 -11.772 -4.378 1.00 5.11 N ATOM 220 CA SER A 14 1.820 -12.335 -3.224 1.00 71.50 C ATOM 221 C SER A 14 3.205 -12.882 -3.583 1.00 32.32 C ATOM 222 O SER A 14 4.179 -12.603 -2.897 1.00 54.53 O ATOM 223 CB SER A 14 0.944 -13.443 -2.660 1.00 64.53 C ATOM 224 OG SER A 14 -0.377 -12.959 -2.436 1.00 30.42 O ATOM 0 H SER A 14 0.220 -12.166 -4.534 1.00 5.11 H new ATOM 0 HA SER A 14 1.972 -11.551 -2.482 1.00 71.50 H new ATOM 0 HB2 SER A 14 0.918 -14.285 -3.352 1.00 64.53 H new ATOM 0 HB3 SER A 14 1.368 -13.812 -1.726 1.00 64.53 H new ATOM 0 HG SER A 14 -0.933 -13.681 -2.075 1.00 30.42 H new ATOM 230 N THR A 15 3.276 -13.616 -4.680 1.00 24.35 N ATOM 231 CA THR A 15 4.503 -14.229 -5.144 1.00 62.13 C ATOM 232 C THR A 15 5.609 -13.178 -5.385 1.00 73.32 C ATOM 233 O THR A 15 6.787 -13.412 -5.085 1.00 0.14 O ATOM 234 CB THR A 15 4.229 -14.989 -6.456 1.00 72.23 C ATOM 235 OG1 THR A 15 3.121 -15.880 -6.258 1.00 33.02 O ATOM 236 CG2 THR A 15 5.444 -15.796 -6.881 1.00 35.32 C ATOM 0 H THR A 15 2.472 -13.804 -5.279 1.00 24.35 H new ATOM 0 HA THR A 15 4.851 -14.915 -4.372 1.00 62.13 H new ATOM 0 HB THR A 15 4.002 -14.264 -7.238 1.00 72.23 H new ATOM 0 HG1 THR A 15 2.939 -16.366 -7.089 1.00 33.02 H new ATOM 0 HG21 THR A 15 5.224 -16.323 -7.810 1.00 35.32 H new ATOM 0 HG22 THR A 15 6.290 -15.126 -7.035 1.00 35.32 H new ATOM 0 HG23 THR A 15 5.691 -16.519 -6.103 1.00 35.32 H new ATOM 244 N LYS A 16 5.228 -12.018 -5.892 1.00 74.43 N ATOM 245 CA LYS A 16 6.203 -10.997 -6.223 1.00 24.43 C ATOM 246 C LYS A 16 6.306 -9.938 -5.140 1.00 60.24 C ATOM 247 O LYS A 16 7.154 -9.048 -5.221 1.00 52.14 O ATOM 248 CB LYS A 16 5.899 -10.363 -7.581 1.00 31.45 C ATOM 249 CG LYS A 16 5.868 -11.354 -8.713 1.00 70.21 C ATOM 250 CD LYS A 16 5.735 -10.664 -10.054 1.00 74.11 C ATOM 251 CE LYS A 16 6.958 -9.807 -10.392 1.00 73.43 C ATOM 252 NZ LYS A 16 6.842 -9.180 -11.728 1.00 75.34 N ATOM 0 H LYS A 16 4.259 -11.762 -6.082 1.00 74.43 H new ATOM 0 HA LYS A 16 7.173 -11.490 -6.288 1.00 24.43 H new ATOM 0 HB2 LYS A 16 4.937 -9.854 -7.528 1.00 31.45 H new ATOM 0 HB3 LYS A 16 6.651 -9.603 -7.795 1.00 31.45 H new ATOM 0 HG2 LYS A 16 6.780 -11.951 -8.699 1.00 70.21 H new ATOM 0 HG3 LYS A 16 5.034 -12.042 -8.573 1.00 70.21 H new ATOM 0 HD2 LYS A 16 5.593 -11.413 -10.833 1.00 74.11 H new ATOM 0 HD3 LYS A 16 4.844 -10.036 -10.050 1.00 74.11 H new ATOM 0 HE2 LYS A 16 7.077 -9.031 -9.636 1.00 73.43 H new ATOM 0 HE3 LYS A 16 7.855 -10.425 -10.358 1.00 73.43 H new ATOM 0 HZ1 LYS A 16 7.690 -8.609 -11.918 1.00 75.34 H new ATOM 0 HZ2 LYS A 16 6.754 -9.921 -12.453 1.00 75.34 H new ATOM 0 HZ3 LYS A 16 6.000 -8.569 -11.753 1.00 75.34 H new ATOM 266 N ASN A 17 5.424 -10.032 -4.130 1.00 3.51 N ATOM 267 CA ASN A 17 5.427 -9.110 -2.971 1.00 31.21 C ATOM 268 C ASN A 17 5.204 -7.670 -3.393 1.00 52.24 C ATOM 269 O ASN A 17 5.602 -6.735 -2.686 1.00 41.41 O ATOM 270 CB ASN A 17 6.752 -9.225 -2.202 1.00 33.45 C ATOM 271 CG ASN A 17 6.939 -10.554 -1.493 1.00 1.22 C ATOM 272 OD1 ASN A 17 5.875 -11.112 -0.973 1.00 71.13 O flip ATOM 273 ND2 ASN A 17 8.058 -11.052 -1.381 1.00 34.31 N flip ATOM 0 H ASN A 17 4.693 -10.742 -4.090 1.00 3.51 H new ATOM 0 HA ASN A 17 4.601 -9.402 -2.322 1.00 31.21 H new ATOM 0 HB2 ASN A 17 7.578 -9.076 -2.897 1.00 33.45 H new ATOM 0 HB3 ASN A 17 6.805 -8.422 -1.467 1.00 33.45 H new ATOM 0 HD21 ASN A 17 8.866 -10.590 -1.799 1.00 34.31 H new ATOM 0 HD22 ASN A 17 8.178 -11.927 -0.870 1.00 34.31 H new ATOM 280 N PHE A 18 4.528 -7.482 -4.488 1.00 5.25 N ATOM 281 CA PHE A 18 4.325 -6.163 -5.027 1.00 74.30 C ATOM 282 C PHE A 18 2.877 -6.000 -5.439 1.00 74.01 C ATOM 283 O PHE A 18 2.199 -6.983 -5.769 1.00 72.52 O ATOM 284 CB PHE A 18 5.252 -5.962 -6.230 1.00 10.22 C ATOM 285 CG PHE A 18 5.251 -4.580 -6.819 1.00 11.25 C ATOM 286 CD1 PHE A 18 5.917 -3.545 -6.188 1.00 13.01 C ATOM 287 CD2 PHE A 18 4.584 -4.322 -8.007 1.00 25.00 C ATOM 288 CE1 PHE A 18 5.918 -2.279 -6.730 1.00 44.10 C ATOM 289 CE2 PHE A 18 4.582 -3.058 -8.552 1.00 33.03 C ATOM 290 CZ PHE A 18 5.249 -2.034 -7.915 1.00 71.14 C ATOM 0 H PHE A 18 4.102 -8.232 -5.033 1.00 5.25 H new ATOM 0 HA PHE A 18 4.558 -5.413 -4.271 1.00 74.30 H new ATOM 0 HB2 PHE A 18 6.270 -6.210 -5.929 1.00 10.22 H new ATOM 0 HB3 PHE A 18 4.969 -6.671 -7.008 1.00 10.22 H new ATOM 0 HD1 PHE A 18 6.441 -3.731 -5.262 1.00 13.01 H new ATOM 0 HD2 PHE A 18 4.060 -5.121 -8.510 1.00 25.00 H new ATOM 0 HE1 PHE A 18 6.441 -1.478 -6.230 1.00 44.10 H new ATOM 0 HE2 PHE A 18 4.058 -2.869 -9.478 1.00 33.03 H new ATOM 0 HZ PHE A 18 5.249 -1.041 -8.341 1.00 71.14 H new ATOM 300 N GLY A 19 2.417 -4.791 -5.403 1.00 42.21 N ATOM 301 CA GLY A 19 1.071 -4.480 -5.757 1.00 70.32 C ATOM 302 C GLY A 19 0.832 -3.000 -5.697 1.00 14.45 C ATOM 303 O GLY A 19 1.779 -2.224 -5.603 1.00 2.32 O ATOM 0 H GLY A 19 2.973 -3.983 -5.124 1.00 42.21 H new ATOM 0 HA2 GLY A 19 0.861 -4.846 -6.762 1.00 70.32 H new ATOM 0 HA3 GLY A 19 0.385 -4.991 -5.081 1.00 70.32 H new ATOM 307 N PHE A 20 -0.414 -2.609 -5.720 1.00 31.11 N ATOM 308 CA PHE A 20 -0.801 -1.211 -5.666 1.00 0.23 C ATOM 309 C PHE A 20 -1.966 -0.985 -4.749 1.00 23.10 C ATOM 310 O PHE A 20 -2.686 -1.927 -4.379 1.00 72.11 O ATOM 311 CB PHE A 20 -1.122 -0.624 -7.042 1.00 52.51 C ATOM 312 CG PHE A 20 0.063 -0.194 -7.868 1.00 52.01 C ATOM 313 CD1 PHE A 20 0.817 -1.107 -8.571 1.00 5.24 C ATOM 314 CD2 PHE A 20 0.413 1.143 -7.932 1.00 32.30 C ATOM 315 CE1 PHE A 20 1.900 -0.702 -9.323 1.00 1.23 C ATOM 316 CE2 PHE A 20 1.491 1.559 -8.683 1.00 21.20 C ATOM 317 CZ PHE A 20 2.238 0.633 -9.379 1.00 51.04 C ATOM 0 H PHE A 20 -1.203 -3.253 -5.777 1.00 31.11 H new ATOM 0 HA PHE A 20 0.072 -0.691 -5.272 1.00 0.23 H new ATOM 0 HB2 PHE A 20 -1.686 -1.365 -7.609 1.00 52.51 H new ATOM 0 HB3 PHE A 20 -1.776 0.237 -6.904 1.00 52.51 H new ATOM 0 HD1 PHE A 20 0.557 -2.154 -8.533 1.00 5.24 H new ATOM 0 HD2 PHE A 20 -0.167 1.872 -7.385 1.00 32.30 H new ATOM 0 HE1 PHE A 20 2.483 -1.430 -9.867 1.00 1.23 H new ATOM 0 HE2 PHE A 20 1.750 2.607 -8.726 1.00 21.20 H new ATOM 0 HZ PHE A 20 3.086 0.953 -9.967 1.00 51.04 H new ATOM 327 N ILE A 21 -2.169 0.266 -4.416 1.00 61.40 N ATOM 328 CA ILE A 21 -3.210 0.715 -3.529 1.00 65.45 C ATOM 329 C ILE A 21 -3.658 2.101 -3.992 1.00 61.33 C ATOM 330 O ILE A 21 -2.831 2.925 -4.374 1.00 13.34 O ATOM 331 CB ILE A 21 -2.704 0.831 -2.039 1.00 63.32 C ATOM 332 CG1 ILE A 21 -2.130 -0.498 -1.539 1.00 43.00 C ATOM 333 CG2 ILE A 21 -3.828 1.291 -1.124 1.00 22.43 C ATOM 334 CD1 ILE A 21 -1.590 -0.452 -0.119 1.00 44.34 C ATOM 0 H ILE A 21 -1.590 1.028 -4.770 1.00 61.40 H new ATOM 0 HA ILE A 21 -4.024 -0.010 -3.556 1.00 65.45 H new ATOM 0 HB ILE A 21 -1.907 1.574 -2.020 1.00 63.32 H new ATOM 0 HG12 ILE A 21 -2.907 -1.260 -1.595 1.00 43.00 H new ATOM 0 HG13 ILE A 21 -1.329 -0.810 -2.210 1.00 43.00 H new ATOM 0 HG21 ILE A 21 -3.458 1.364 -0.101 1.00 22.43 H new ATOM 0 HG22 ILE A 21 -4.187 2.267 -1.451 1.00 22.43 H new ATOM 0 HG23 ILE A 21 -4.646 0.572 -1.163 1.00 22.43 H new ATOM 0 HD11 ILE A 21 -1.203 -1.433 0.155 1.00 44.34 H new ATOM 0 HD12 ILE A 21 -0.788 0.284 -0.058 1.00 44.34 H new ATOM 0 HD13 ILE A 21 -2.391 -0.173 0.566 1.00 44.34 H new ATOM 346 N GLU A 22 -4.938 2.313 -4.027 1.00 62.45 N ATOM 347 CA GLU A 22 -5.519 3.619 -4.305 1.00 31.55 C ATOM 348 C GLU A 22 -6.744 3.692 -3.440 1.00 2.13 C ATOM 349 O GLU A 22 -7.344 2.655 -3.195 1.00 20.31 O ATOM 350 CB GLU A 22 -5.926 3.759 -5.790 1.00 61.41 C ATOM 351 CG GLU A 22 -7.034 2.810 -6.217 1.00 72.14 C ATOM 352 CD GLU A 22 -7.454 2.985 -7.650 1.00 10.43 C ATOM 353 OE1 GLU A 22 -8.239 3.902 -7.933 1.00 4.14 O ATOM 354 OE2 GLU A 22 -7.025 2.198 -8.509 1.00 14.40 O ATOM 0 H GLU A 22 -5.630 1.582 -3.863 1.00 62.45 H new ATOM 0 HA GLU A 22 -4.804 4.416 -4.102 1.00 31.55 H new ATOM 0 HB2 GLU A 22 -6.248 4.784 -5.973 1.00 61.41 H new ATOM 0 HB3 GLU A 22 -5.050 3.584 -6.415 1.00 61.41 H new ATOM 0 HG2 GLU A 22 -6.700 1.783 -6.067 1.00 72.14 H new ATOM 0 HG3 GLU A 22 -7.900 2.961 -5.572 1.00 72.14 H new ATOM 361 N GLN A 23 -7.141 4.838 -2.941 1.00 45.04 N ATOM 362 CA GLN A 23 -8.352 4.805 -2.147 1.00 24.43 C ATOM 363 C GLN A 23 -9.521 4.724 -3.039 1.00 62.11 C ATOM 364 O GLN A 23 -9.526 5.307 -4.131 1.00 61.05 O ATOM 365 CB GLN A 23 -8.517 5.923 -1.109 1.00 50.42 C ATOM 366 CG GLN A 23 -8.799 7.292 -1.641 1.00 2.12 C ATOM 367 CD GLN A 23 -8.902 8.307 -0.528 1.00 74.52 C ATOM 368 OE1 GLN A 23 -9.989 8.562 -0.004 1.00 55.22 O ATOM 369 NE2 GLN A 23 -7.792 8.846 -0.123 1.00 13.54 N ATOM 0 H GLN A 23 -6.686 5.744 -3.055 1.00 45.04 H new ATOM 0 HA GLN A 23 -8.268 3.909 -1.532 1.00 24.43 H new ATOM 0 HB2 GLN A 23 -9.327 5.646 -0.435 1.00 50.42 H new ATOM 0 HB3 GLN A 23 -7.607 5.970 -0.511 1.00 50.42 H new ATOM 0 HG2 GLN A 23 -8.008 7.586 -2.331 1.00 2.12 H new ATOM 0 HG3 GLN A 23 -9.729 7.278 -2.210 1.00 2.12 H new ATOM 0 HE21 GLN A 23 -6.913 8.609 -0.583 1.00 13.54 H new ATOM 0 HE22 GLN A 23 -7.800 9.506 0.655 1.00 13.54 H new ATOM 378 N ASP A 24 -10.491 4.000 -2.580 1.00 4.42 N ATOM 379 CA ASP A 24 -11.736 3.724 -3.318 1.00 62.33 C ATOM 380 C ASP A 24 -12.415 4.993 -3.807 1.00 3.33 C ATOM 381 O ASP A 24 -13.084 5.005 -4.834 1.00 24.31 O ATOM 382 CB ASP A 24 -12.686 2.951 -2.432 1.00 21.01 C ATOM 383 CG ASP A 24 -13.972 2.564 -3.133 1.00 4.13 C ATOM 384 OD1 ASP A 24 -13.945 1.662 -4.005 1.00 73.01 O ATOM 385 OD2 ASP A 24 -15.024 3.155 -2.825 1.00 10.41 O ATOM 0 H ASP A 24 -10.463 3.561 -1.660 1.00 4.42 H new ATOM 0 HA ASP A 24 -11.471 3.137 -4.198 1.00 62.33 H new ATOM 0 HB2 ASP A 24 -12.188 2.049 -2.076 1.00 21.01 H new ATOM 0 HB3 ASP A 24 -12.924 3.552 -1.554 1.00 21.01 H new ATOM 390 N ASN A 25 -12.212 6.059 -3.077 1.00 40.15 N ATOM 391 CA ASN A 25 -12.790 7.349 -3.396 1.00 15.43 C ATOM 392 C ASN A 25 -12.157 7.963 -4.646 1.00 52.41 C ATOM 393 O ASN A 25 -12.672 8.933 -5.192 1.00 62.25 O ATOM 394 CB ASN A 25 -12.591 8.292 -2.222 1.00 33.03 C ATOM 395 CG ASN A 25 -13.258 7.824 -0.940 1.00 14.11 C ATOM 396 OD1 ASN A 25 -13.446 6.634 -0.692 1.00 61.50 O ATOM 397 ND2 ASN A 25 -13.565 8.742 -0.113 1.00 4.23 N ATOM 0 H ASN A 25 -11.636 6.061 -2.235 1.00 40.15 H new ATOM 0 HA ASN A 25 -13.852 7.201 -3.594 1.00 15.43 H new ATOM 0 HB2 ASN A 25 -11.523 8.412 -2.042 1.00 33.03 H new ATOM 0 HB3 ASN A 25 -12.982 9.274 -2.487 1.00 33.03 H new ATOM 0 HD21 ASN A 25 -13.980 8.500 0.787 1.00 4.23 H new ATOM 0 HD22 ASN A 25 -13.396 9.720 -0.350 1.00 4.23 H new ATOM 404 N GLY A 26 -11.060 7.395 -5.104 1.00 70.41 N ATOM 405 CA GLY A 26 -10.380 7.942 -6.239 1.00 72.33 C ATOM 406 C GLY A 26 -9.091 8.604 -5.834 1.00 32.51 C ATOM 407 O GLY A 26 -8.847 9.763 -6.163 1.00 52.22 O ATOM 0 H GLY A 26 -10.630 6.561 -4.705 1.00 70.41 H new ATOM 0 HA2 GLY A 26 -10.175 7.150 -6.959 1.00 72.33 H new ATOM 0 HA3 GLY A 26 -11.024 8.667 -6.737 1.00 72.33 H new ATOM 411 N GLY A 27 -8.282 7.886 -5.081 1.00 23.43 N ATOM 412 CA GLY A 27 -6.998 8.417 -4.657 1.00 13.33 C ATOM 413 C GLY A 27 -5.923 8.064 -5.653 1.00 72.13 C ATOM 414 O GLY A 27 -6.169 7.263 -6.562 1.00 75.03 O ATOM 0 H GLY A 27 -8.486 6.942 -4.752 1.00 23.43 H new ATOM 0 HA2 GLY A 27 -7.063 9.500 -4.552 1.00 13.33 H new ATOM 0 HA3 GLY A 27 -6.739 8.017 -3.677 1.00 13.33 H new ATOM 418 N LYS A 28 -4.745 8.626 -5.495 1.00 45.43 N ATOM 419 CA LYS A 28 -3.675 8.372 -6.433 1.00 72.22 C ATOM 420 C LYS A 28 -3.021 7.034 -6.172 1.00 73.45 C ATOM 421 O LYS A 28 -2.940 6.579 -5.023 1.00 1.51 O ATOM 422 CB LYS A 28 -2.645 9.493 -6.441 1.00 15.21 C ATOM 423 CG LYS A 28 -3.226 10.837 -6.835 1.00 2.43 C ATOM 424 CD LYS A 28 -2.156 11.888 -6.947 1.00 43.14 C ATOM 425 CE LYS A 28 -2.744 13.226 -7.353 1.00 43.14 C ATOM 426 NZ LYS A 28 -1.704 14.261 -7.536 1.00 24.14 N ATOM 0 H LYS A 28 -4.505 9.258 -4.731 1.00 45.43 H new ATOM 0 HA LYS A 28 -4.124 8.339 -7.426 1.00 72.22 H new ATOM 0 HB2 LYS A 28 -2.199 9.574 -5.450 1.00 15.21 H new ATOM 0 HB3 LYS A 28 -1.842 9.235 -7.132 1.00 15.21 H new ATOM 0 HG2 LYS A 28 -3.747 10.744 -7.788 1.00 2.43 H new ATOM 0 HG3 LYS A 28 -3.965 11.146 -6.096 1.00 2.43 H new ATOM 0 HD2 LYS A 28 -1.640 11.989 -5.992 1.00 43.14 H new ATOM 0 HD3 LYS A 28 -1.412 11.577 -7.680 1.00 43.14 H new ATOM 0 HE2 LYS A 28 -3.304 13.108 -8.281 1.00 43.14 H new ATOM 0 HE3 LYS A 28 -3.452 13.555 -6.593 1.00 43.14 H new ATOM 0 HZ1 LYS A 28 -2.152 15.158 -7.813 1.00 24.14 H new ATOM 0 HZ2 LYS A 28 -1.186 14.394 -6.644 1.00 24.14 H new ATOM 0 HZ3 LYS A 28 -1.042 13.960 -8.280 1.00 24.14 H new ATOM 440 N ASP A 29 -2.564 6.426 -7.237 1.00 60.41 N ATOM 441 CA ASP A 29 -1.957 5.102 -7.216 1.00 53.03 C ATOM 442 C ASP A 29 -0.641 5.131 -6.482 1.00 1.24 C ATOM 443 O ASP A 29 0.261 5.896 -6.835 1.00 23.22 O ATOM 444 CB ASP A 29 -1.684 4.593 -8.646 1.00 41.43 C ATOM 445 CG ASP A 29 -2.903 4.546 -9.530 1.00 24.15 C ATOM 446 OD1 ASP A 29 -3.267 5.600 -10.098 1.00 63.02 O ATOM 447 OD2 ASP A 29 -3.497 3.470 -9.697 1.00 23.25 O ATOM 0 H ASP A 29 -2.600 6.840 -8.169 1.00 60.41 H new ATOM 0 HA ASP A 29 -2.660 4.439 -6.712 1.00 53.03 H new ATOM 0 HB2 ASP A 29 -0.937 5.236 -9.111 1.00 41.43 H new ATOM 0 HB3 ASP A 29 -1.253 3.593 -8.587 1.00 41.43 H new ATOM 452 N VAL A 30 -0.538 4.329 -5.479 1.00 23.35 N ATOM 453 CA VAL A 30 0.686 4.158 -4.748 1.00 23.41 C ATOM 454 C VAL A 30 1.016 2.674 -4.723 1.00 41.42 C ATOM 455 O VAL A 30 0.107 1.842 -4.615 1.00 3.31 O ATOM 456 CB VAL A 30 0.582 4.754 -3.302 1.00 2.32 C ATOM 457 CG1 VAL A 30 -0.564 4.164 -2.530 1.00 20.32 C ATOM 458 CG2 VAL A 30 1.853 4.547 -2.534 1.00 24.31 C ATOM 0 H VAL A 30 -1.311 3.761 -5.132 1.00 23.35 H new ATOM 0 HA VAL A 30 1.490 4.704 -5.241 1.00 23.41 H new ATOM 0 HB VAL A 30 0.405 5.823 -3.423 1.00 2.32 H new ATOM 0 HG11 VAL A 30 -0.598 4.606 -1.534 1.00 20.32 H new ATOM 0 HG12 VAL A 30 -1.499 4.371 -3.051 1.00 20.32 H new ATOM 0 HG13 VAL A 30 -0.428 3.086 -2.444 1.00 20.32 H new ATOM 0 HG21 VAL A 30 1.748 4.972 -1.536 1.00 24.31 H new ATOM 0 HG22 VAL A 30 2.060 3.480 -2.455 1.00 24.31 H new ATOM 0 HG23 VAL A 30 2.676 5.039 -3.053 1.00 24.31 H new ATOM 468 N PHE A 31 2.273 2.320 -4.875 1.00 4.32 N ATOM 469 CA PHE A 31 2.616 0.924 -4.894 1.00 55.54 C ATOM 470 C PHE A 31 2.989 0.401 -3.533 1.00 12.03 C ATOM 471 O PHE A 31 3.605 1.096 -2.728 1.00 75.14 O ATOM 472 CB PHE A 31 3.654 0.554 -5.975 1.00 42.41 C ATOM 473 CG PHE A 31 4.961 1.300 -5.961 1.00 21.30 C ATOM 474 CD1 PHE A 31 5.970 0.957 -5.077 1.00 22.12 C ATOM 475 CD2 PHE A 31 5.186 2.332 -6.857 1.00 33.12 C ATOM 476 CE1 PHE A 31 7.173 1.633 -5.084 1.00 45.24 C ATOM 477 CE2 PHE A 31 6.387 3.008 -6.870 1.00 50.40 C ATOM 478 CZ PHE A 31 7.382 2.658 -5.980 1.00 43.30 C ATOM 0 H PHE A 31 3.055 2.966 -4.985 1.00 4.32 H new ATOM 0 HA PHE A 31 1.701 0.409 -5.186 1.00 55.54 H new ATOM 0 HB2 PHE A 31 3.872 -0.510 -5.883 1.00 42.41 H new ATOM 0 HB3 PHE A 31 3.192 0.702 -6.951 1.00 42.41 H new ATOM 0 HD1 PHE A 31 5.814 0.152 -4.374 1.00 22.12 H new ATOM 0 HD2 PHE A 31 4.410 2.611 -7.555 1.00 33.12 H new ATOM 0 HE1 PHE A 31 7.951 1.358 -4.387 1.00 45.24 H new ATOM 0 HE2 PHE A 31 6.549 3.810 -7.575 1.00 50.40 H new ATOM 0 HZ PHE A 31 8.323 3.187 -5.986 1.00 43.30 H new ATOM 488 N VAL A 32 2.596 -0.808 -3.277 1.00 64.53 N ATOM 489 CA VAL A 32 2.861 -1.448 -2.031 1.00 24.14 C ATOM 490 C VAL A 32 3.830 -2.605 -2.262 1.00 34.20 C ATOM 491 O VAL A 32 3.775 -3.295 -3.287 1.00 55.31 O ATOM 492 CB VAL A 32 1.543 -1.946 -1.341 1.00 73.35 C ATOM 493 CG1 VAL A 32 0.804 -2.972 -2.186 1.00 21.31 C ATOM 494 CG2 VAL A 32 1.811 -2.490 0.062 1.00 32.23 C ATOM 0 H VAL A 32 2.075 -1.384 -3.938 1.00 64.53 H new ATOM 0 HA VAL A 32 3.314 -0.724 -1.354 1.00 24.14 H new ATOM 0 HB VAL A 32 0.896 -1.074 -1.246 1.00 73.35 H new ATOM 0 HG11 VAL A 32 -0.101 -3.287 -1.667 1.00 21.31 H new ATOM 0 HG12 VAL A 32 0.537 -2.529 -3.145 1.00 21.31 H new ATOM 0 HG13 VAL A 32 1.446 -3.837 -2.352 1.00 21.31 H new ATOM 0 HG21 VAL A 32 0.874 -2.825 0.507 1.00 32.23 H new ATOM 0 HG22 VAL A 32 2.504 -3.329 0.001 1.00 32.23 H new ATOM 0 HG23 VAL A 32 2.246 -1.704 0.680 1.00 32.23 H new ATOM 504 N HIS A 33 4.718 -2.787 -1.346 1.00 30.51 N ATOM 505 CA HIS A 33 5.702 -3.823 -1.422 1.00 61.20 C ATOM 506 C HIS A 33 5.808 -4.472 -0.052 1.00 74.15 C ATOM 507 O HIS A 33 5.359 -3.891 0.926 1.00 51.20 O ATOM 508 CB HIS A 33 7.042 -3.216 -1.897 1.00 32.31 C ATOM 509 CG HIS A 33 8.129 -4.211 -2.032 1.00 3.31 C ATOM 510 ND1 HIS A 33 7.951 -5.416 -2.636 1.00 63.14 N ATOM 511 CD2 HIS A 33 9.373 -4.225 -1.551 1.00 64.54 C ATOM 512 CE1 HIS A 33 9.027 -6.120 -2.512 1.00 55.53 C ATOM 513 NE2 HIS A 33 9.908 -5.424 -1.864 1.00 1.43 N ATOM 0 H HIS A 33 4.786 -2.212 -0.506 1.00 30.51 H new ATOM 0 HA HIS A 33 5.425 -4.592 -2.143 1.00 61.20 H new ATOM 0 HB2 HIS A 33 6.888 -2.726 -2.858 1.00 32.31 H new ATOM 0 HB3 HIS A 33 7.352 -2.445 -1.192 1.00 32.31 H new ATOM 0 HD1 HIS A 33 7.101 -5.717 -3.112 1.00 63.14 H new ATOM 0 HD2 HIS A 33 9.861 -3.426 -1.012 1.00 64.54 H new ATOM 0 HE1 HIS A 33 9.169 -7.123 -2.886 1.00 55.53 H new ATOM 522 N LYS A 34 6.387 -5.670 0.027 1.00 50.30 N ATOM 523 CA LYS A 34 6.495 -6.393 1.297 1.00 12.20 C ATOM 524 C LYS A 34 7.310 -5.625 2.332 1.00 4.54 C ATOM 525 O LYS A 34 7.206 -5.887 3.514 1.00 13.43 O ATOM 526 CB LYS A 34 6.981 -7.830 1.094 1.00 13.02 C ATOM 527 CG LYS A 34 7.133 -8.649 2.372 1.00 43.43 C ATOM 528 CD LYS A 34 7.441 -10.074 2.047 1.00 11.22 C ATOM 529 CE LYS A 34 7.715 -10.908 3.283 1.00 40.24 C ATOM 530 NZ LYS A 34 8.049 -12.309 2.933 1.00 35.03 N ATOM 0 H LYS A 34 6.789 -6.161 -0.772 1.00 50.30 H new ATOM 0 HA LYS A 34 5.490 -6.468 1.711 1.00 12.20 H new ATOM 0 HB2 LYS A 34 6.282 -8.343 0.433 1.00 13.02 H new ATOM 0 HB3 LYS A 34 7.943 -7.803 0.582 1.00 13.02 H new ATOM 0 HG2 LYS A 34 7.929 -8.230 2.987 1.00 43.43 H new ATOM 0 HG3 LYS A 34 6.215 -8.594 2.958 1.00 43.43 H new ATOM 0 HD2 LYS A 34 6.604 -10.507 1.499 1.00 11.22 H new ATOM 0 HD3 LYS A 34 8.308 -10.113 1.387 1.00 11.22 H new ATOM 0 HE2 LYS A 34 8.538 -10.467 3.845 1.00 40.24 H new ATOM 0 HE3 LYS A 34 6.841 -10.893 3.934 1.00 40.24 H new ATOM 0 HZ1 LYS A 34 8.230 -12.850 3.802 1.00 35.03 H new ATOM 0 HZ2 LYS A 34 7.253 -12.737 2.418 1.00 35.03 H new ATOM 0 HZ3 LYS A 34 8.898 -12.324 2.333 1.00 35.03 H new ATOM 544 N SER A 35 8.101 -4.665 1.877 1.00 11.02 N ATOM 545 CA SER A 35 8.775 -3.717 2.784 1.00 4.25 C ATOM 546 C SER A 35 7.743 -3.054 3.733 1.00 64.03 C ATOM 547 O SER A 35 8.054 -2.718 4.873 1.00 13.34 O ATOM 548 CB SER A 35 9.486 -2.640 1.970 1.00 30.24 C ATOM 549 OG SER A 35 10.373 -3.223 1.040 1.00 12.20 O ATOM 0 H SER A 35 8.299 -4.513 0.888 1.00 11.02 H new ATOM 0 HA SER A 35 9.505 -4.263 3.381 1.00 4.25 H new ATOM 0 HB2 SER A 35 8.751 -2.029 1.446 1.00 30.24 H new ATOM 0 HB3 SER A 35 10.035 -1.976 2.637 1.00 30.24 H new ATOM 0 HG SER A 35 10.818 -2.517 0.526 1.00 12.20 H new ATOM 555 N ALA A 36 6.509 -2.904 3.253 1.00 22.10 N ATOM 556 CA ALA A 36 5.433 -2.344 4.039 1.00 54.50 C ATOM 557 C ALA A 36 4.910 -3.369 5.026 1.00 45.21 C ATOM 558 O ALA A 36 4.514 -3.025 6.145 1.00 2.44 O ATOM 559 CB ALA A 36 4.324 -1.883 3.154 1.00 11.20 C ATOM 0 H ALA A 36 6.237 -3.170 2.307 1.00 22.10 H new ATOM 0 HA ALA A 36 5.823 -1.488 4.590 1.00 54.50 H new ATOM 0 HB1 ALA A 36 3.523 -1.464 3.763 1.00 11.20 H new ATOM 0 HB2 ALA A 36 4.697 -1.120 2.471 1.00 11.20 H new ATOM 0 HB3 ALA A 36 3.941 -2.727 2.581 1.00 11.20 H new ATOM 565 N VAL A 37 4.906 -4.636 4.606 1.00 75.03 N ATOM 566 CA VAL A 37 4.537 -5.721 5.497 1.00 2.30 C ATOM 567 C VAL A 37 5.585 -5.806 6.578 1.00 45.41 C ATOM 568 O VAL A 37 5.277 -5.959 7.712 1.00 33.15 O ATOM 569 CB VAL A 37 4.423 -7.112 4.782 1.00 55.32 C ATOM 570 CG1 VAL A 37 4.133 -8.212 5.818 1.00 12.43 C ATOM 571 CG2 VAL A 37 3.313 -7.076 3.723 1.00 21.01 C ATOM 0 H VAL A 37 5.153 -4.927 3.660 1.00 75.03 H new ATOM 0 HA VAL A 37 3.547 -5.500 5.896 1.00 2.30 H new ATOM 0 HB VAL A 37 5.369 -7.332 4.287 1.00 55.32 H new ATOM 0 HG11 VAL A 37 4.055 -9.175 5.314 1.00 12.43 H new ATOM 0 HG12 VAL A 37 4.943 -8.248 6.547 1.00 12.43 H new ATOM 0 HG13 VAL A 37 3.195 -7.993 6.329 1.00 12.43 H new ATOM 0 HG21 VAL A 37 3.245 -8.048 3.234 1.00 21.01 H new ATOM 0 HG22 VAL A 37 2.362 -6.842 4.201 1.00 21.01 H new ATOM 0 HG23 VAL A 37 3.543 -6.312 2.980 1.00 21.01 H new ATOM 581 N ASP A 38 6.824 -5.660 6.186 1.00 35.15 N ATOM 582 CA ASP A 38 7.949 -5.643 7.110 1.00 24.40 C ATOM 583 C ASP A 38 7.823 -4.467 8.072 1.00 40.34 C ATOM 584 O ASP A 38 8.127 -4.579 9.261 1.00 62.24 O ATOM 585 CB ASP A 38 9.268 -5.546 6.328 1.00 52.41 C ATOM 586 CG ASP A 38 10.493 -5.450 7.217 1.00 32.43 C ATOM 587 OD1 ASP A 38 11.003 -6.502 7.671 1.00 31.32 O ATOM 588 OD2 ASP A 38 10.974 -4.323 7.464 1.00 31.34 O ATOM 0 H ASP A 38 7.092 -5.548 5.208 1.00 35.15 H new ATOM 0 HA ASP A 38 7.945 -6.568 7.686 1.00 24.40 H new ATOM 0 HB2 ASP A 38 9.364 -6.420 5.684 1.00 52.41 H new ATOM 0 HB3 ASP A 38 9.232 -4.672 5.677 1.00 52.41 H new ATOM 593 N ALA A 39 7.327 -3.351 7.553 1.00 1.05 N ATOM 594 CA ALA A 39 7.175 -2.123 8.325 1.00 53.45 C ATOM 595 C ALA A 39 6.196 -2.255 9.503 1.00 60.41 C ATOM 596 O ALA A 39 6.393 -1.622 10.538 1.00 42.45 O ATOM 597 CB ALA A 39 6.752 -0.978 7.417 1.00 31.21 C ATOM 0 H ALA A 39 7.018 -3.271 6.584 1.00 1.05 H new ATOM 0 HA ALA A 39 8.152 -1.912 8.759 1.00 53.45 H new ATOM 0 HB1 ALA A 39 6.642 -0.068 8.006 1.00 31.21 H new ATOM 0 HB2 ALA A 39 7.510 -0.824 6.649 1.00 31.21 H new ATOM 0 HB3 ALA A 39 5.800 -1.221 6.944 1.00 31.21 H new ATOM 603 N ALA A 40 5.151 -3.061 9.357 1.00 13.32 N ATOM 604 CA ALA A 40 4.142 -3.166 10.436 1.00 40.23 C ATOM 605 C ALA A 40 3.812 -4.612 10.831 1.00 11.14 C ATOM 606 O ALA A 40 3.161 -4.850 11.839 1.00 55.10 O ATOM 607 CB ALA A 40 2.876 -2.439 10.023 1.00 53.54 C ATOM 0 H ALA A 40 4.971 -3.639 8.536 1.00 13.32 H new ATOM 0 HA ALA A 40 4.579 -2.700 11.319 1.00 40.23 H new ATOM 0 HB1 ALA A 40 2.135 -2.518 10.819 1.00 53.54 H new ATOM 0 HB2 ALA A 40 3.103 -1.388 9.841 1.00 53.54 H new ATOM 0 HB3 ALA A 40 2.479 -2.888 9.112 1.00 53.54 H new ATOM 613 N GLY A 41 4.272 -5.550 10.049 1.00 23.24 N ATOM 614 CA GLY A 41 3.958 -6.950 10.258 1.00 31.14 C ATOM 615 C GLY A 41 2.555 -7.258 9.841 1.00 45.01 C ATOM 616 O GLY A 41 1.746 -7.772 10.617 1.00 32.43 O ATOM 0 H GLY A 41 4.876 -5.372 9.247 1.00 23.24 H new ATOM 0 HA2 GLY A 41 4.653 -7.570 9.691 1.00 31.14 H new ATOM 0 HA3 GLY A 41 4.091 -7.202 11.310 1.00 31.14 H new ATOM 620 N LEU A 42 2.273 -6.923 8.617 1.00 15.30 N ATOM 621 CA LEU A 42 1.000 -7.159 8.003 1.00 31.12 C ATOM 622 C LEU A 42 0.893 -8.687 7.758 1.00 51.33 C ATOM 623 O LEU A 42 1.910 -9.360 7.589 1.00 25.30 O ATOM 624 CB LEU A 42 0.987 -6.324 6.696 1.00 45.10 C ATOM 625 CG LEU A 42 -0.330 -6.103 5.939 1.00 72.13 C ATOM 626 CD1 LEU A 42 -0.890 -7.366 5.346 1.00 50.31 C ATOM 627 CD2 LEU A 42 -1.350 -5.406 6.811 1.00 25.11 C ATOM 0 H LEU A 42 2.943 -6.464 8.000 1.00 15.30 H new ATOM 0 HA LEU A 42 0.143 -6.861 8.607 1.00 31.12 H new ATOM 0 HB2 LEU A 42 1.392 -5.341 6.936 1.00 45.10 H new ATOM 0 HB3 LEU A 42 1.684 -6.796 6.003 1.00 45.10 H new ATOM 0 HG LEU A 42 -0.094 -5.451 5.098 1.00 72.13 H new ATOM 0 HD11 LEU A 42 -1.821 -7.142 4.825 1.00 50.31 H new ATOM 0 HD12 LEU A 42 -0.172 -7.787 4.642 1.00 50.31 H new ATOM 0 HD13 LEU A 42 -1.084 -8.086 6.141 1.00 50.31 H new ATOM 0 HD21 LEU A 42 -2.273 -5.263 6.248 1.00 25.11 H new ATOM 0 HD22 LEU A 42 -1.553 -6.015 7.692 1.00 25.11 H new ATOM 0 HD23 LEU A 42 -0.961 -4.437 7.122 1.00 25.11 H new ATOM 639 N HIS A 43 -0.292 -9.235 7.785 1.00 13.24 N ATOM 640 CA HIS A 43 -0.439 -10.678 7.617 1.00 60.15 C ATOM 641 C HIS A 43 -0.438 -11.083 6.146 1.00 43.34 C ATOM 642 O HIS A 43 0.447 -11.814 5.697 1.00 54.21 O ATOM 643 CB HIS A 43 -1.687 -11.202 8.337 1.00 63.41 C ATOM 644 CG HIS A 43 -1.673 -10.964 9.822 1.00 33.44 C ATOM 645 ND1 HIS A 43 -2.416 -9.983 10.432 1.00 73.21 N ATOM 646 CD2 HIS A 43 -1.005 -11.593 10.818 1.00 41.34 C ATOM 647 CE1 HIS A 43 -2.209 -10.019 11.725 1.00 13.23 C ATOM 648 NE2 HIS A 43 -1.362 -10.982 11.988 1.00 32.11 N ATOM 0 H HIS A 43 -1.165 -8.724 7.919 1.00 13.24 H new ATOM 0 HA HIS A 43 0.431 -11.143 8.080 1.00 60.15 H new ATOM 0 HB2 HIS A 43 -2.569 -10.725 7.910 1.00 63.41 H new ATOM 0 HB3 HIS A 43 -1.781 -12.272 8.150 1.00 63.41 H new ATOM 0 HD2 HIS A 43 -0.320 -12.421 10.709 1.00 41.34 H new ATOM 0 HE1 HIS A 43 -2.662 -9.363 12.453 1.00 13.23 H new ATOM 0 HE2 HIS A 43 -1.023 -11.236 12.916 1.00 32.11 H new ATOM 657 N SER A 44 -1.400 -10.581 5.406 1.00 54.40 N ATOM 658 CA SER A 44 -1.550 -10.885 3.999 1.00 25.12 C ATOM 659 C SER A 44 -2.521 -9.898 3.354 1.00 64.20 C ATOM 660 O SER A 44 -3.477 -9.443 4.002 1.00 1.33 O ATOM 661 CB SER A 44 -2.001 -12.350 3.801 1.00 75.42 C ATOM 662 OG SER A 44 -3.188 -12.644 4.541 1.00 43.10 O ATOM 0 H SER A 44 -2.109 -9.943 5.767 1.00 54.40 H new ATOM 0 HA SER A 44 -0.584 -10.778 3.505 1.00 25.12 H new ATOM 0 HB2 SER A 44 -2.178 -12.536 2.742 1.00 75.42 H new ATOM 0 HB3 SER A 44 -1.202 -13.022 4.114 1.00 75.42 H new ATOM 0 HG SER A 44 -3.444 -13.578 4.390 1.00 43.10 H new ATOM 668 N LEU A 45 -2.266 -9.546 2.113 1.00 41.20 N ATOM 669 CA LEU A 45 -3.091 -8.585 1.405 1.00 72.32 C ATOM 670 C LEU A 45 -3.897 -9.241 0.313 1.00 14.33 C ATOM 671 O LEU A 45 -3.450 -10.198 -0.338 1.00 25.23 O ATOM 672 CB LEU A 45 -2.241 -7.475 0.791 1.00 53.24 C ATOM 673 CG LEU A 45 -1.456 -6.595 1.766 1.00 35.52 C ATOM 674 CD1 LEU A 45 -0.501 -5.693 1.007 1.00 72.31 C ATOM 675 CD2 LEU A 45 -2.418 -5.744 2.592 1.00 22.14 C ATOM 0 H LEU A 45 -1.487 -9.914 1.567 1.00 41.20 H new ATOM 0 HA LEU A 45 -3.772 -8.158 2.141 1.00 72.32 H new ATOM 0 HB2 LEU A 45 -1.534 -7.931 0.098 1.00 53.24 H new ATOM 0 HB3 LEU A 45 -2.895 -6.832 0.202 1.00 53.24 H new ATOM 0 HG LEU A 45 -0.882 -7.239 2.432 1.00 35.52 H new ATOM 0 HD11 LEU A 45 0.051 -5.072 1.712 1.00 72.31 H new ATOM 0 HD12 LEU A 45 0.199 -6.303 0.435 1.00 72.31 H new ATOM 0 HD13 LEU A 45 -1.066 -5.055 0.327 1.00 72.31 H new ATOM 0 HD21 LEU A 45 -1.851 -5.121 3.283 1.00 22.14 H new ATOM 0 HD22 LEU A 45 -3.004 -5.109 1.928 1.00 22.14 H new ATOM 0 HD23 LEU A 45 -3.087 -6.394 3.155 1.00 22.14 H new ATOM 687 N GLU A 46 -5.053 -8.706 0.116 1.00 63.14 N ATOM 688 CA GLU A 46 -5.983 -9.114 -0.896 1.00 53.01 C ATOM 689 C GLU A 46 -6.676 -7.856 -1.380 1.00 33.32 C ATOM 690 O GLU A 46 -6.771 -6.882 -0.621 1.00 22.21 O ATOM 691 CB GLU A 46 -7.002 -10.135 -0.334 1.00 33.23 C ATOM 692 CG GLU A 46 -7.762 -9.652 0.896 1.00 32.24 C ATOM 693 CD GLU A 46 -8.769 -10.653 1.409 1.00 34.21 C ATOM 694 OE1 GLU A 46 -8.367 -11.618 2.094 1.00 13.54 O ATOM 695 OE2 GLU A 46 -9.975 -10.488 1.138 1.00 4.12 O ATOM 0 H GLU A 46 -5.398 -7.932 0.683 1.00 63.14 H new ATOM 0 HA GLU A 46 -5.471 -9.613 -1.718 1.00 53.01 H new ATOM 0 HB2 GLU A 46 -7.720 -10.382 -1.116 1.00 33.23 H new ATOM 0 HB3 GLU A 46 -6.475 -11.055 -0.083 1.00 33.23 H new ATOM 0 HG2 GLU A 46 -7.049 -9.426 1.689 1.00 32.24 H new ATOM 0 HG3 GLU A 46 -8.276 -8.722 0.654 1.00 32.24 H new ATOM 702 N GLU A 47 -7.141 -7.847 -2.599 1.00 71.43 N ATOM 703 CA GLU A 47 -7.759 -6.662 -3.151 1.00 75.10 C ATOM 704 C GLU A 47 -9.150 -6.448 -2.574 1.00 3.23 C ATOM 705 O GLU A 47 -9.800 -7.395 -2.115 1.00 32.34 O ATOM 706 CB GLU A 47 -7.806 -6.665 -4.699 1.00 41.44 C ATOM 707 CG GLU A 47 -8.591 -7.810 -5.349 1.00 41.12 C ATOM 708 CD GLU A 47 -7.906 -9.156 -5.259 1.00 31.21 C ATOM 709 OE1 GLU A 47 -7.985 -9.811 -4.207 1.00 64.14 O ATOM 710 OE2 GLU A 47 -7.293 -9.581 -6.247 1.00 4.35 O ATOM 0 H GLU A 47 -7.106 -8.645 -3.233 1.00 71.43 H new ATOM 0 HA GLU A 47 -7.124 -5.826 -2.858 1.00 75.10 H new ATOM 0 HB2 GLU A 47 -8.239 -5.721 -5.031 1.00 41.44 H new ATOM 0 HB3 GLU A 47 -6.783 -6.695 -5.073 1.00 41.44 H new ATOM 0 HG2 GLU A 47 -9.570 -7.880 -4.875 1.00 41.12 H new ATOM 0 HG3 GLU A 47 -8.761 -7.570 -6.399 1.00 41.12 H new ATOM 717 N GLY A 48 -9.596 -5.208 -2.588 1.00 52.40 N ATOM 718 CA GLY A 48 -10.914 -4.875 -2.059 1.00 1.21 C ATOM 719 C GLY A 48 -10.887 -4.581 -0.571 1.00 24.53 C ATOM 720 O GLY A 48 -11.927 -4.392 0.060 1.00 13.41 O ATOM 0 H GLY A 48 -9.072 -4.414 -2.957 1.00 52.40 H new ATOM 0 HA2 GLY A 48 -11.306 -4.008 -2.590 1.00 1.21 H new ATOM 0 HA3 GLY A 48 -11.598 -5.702 -2.250 1.00 1.21 H new ATOM 724 N GLN A 49 -9.709 -4.569 -0.011 1.00 53.11 N ATOM 725 CA GLN A 49 -9.514 -4.265 1.386 1.00 55.41 C ATOM 726 C GLN A 49 -9.227 -2.817 1.565 1.00 55.20 C ATOM 727 O GLN A 49 -8.452 -2.241 0.808 1.00 2.22 O ATOM 728 CB GLN A 49 -8.347 -5.075 1.925 1.00 74.11 C ATOM 729 CG GLN A 49 -8.652 -6.535 2.132 1.00 30.01 C ATOM 730 CD GLN A 49 -9.291 -6.862 3.478 1.00 4.30 C ATOM 731 OE1 GLN A 49 -9.987 -5.932 4.077 1.00 72.53 O flip ATOM 732 NE2 GLN A 49 -9.119 -7.957 3.986 1.00 4.01 N flip ATOM 0 H GLN A 49 -8.845 -4.772 -0.515 1.00 53.11 H new ATOM 0 HA GLN A 49 -10.424 -4.518 1.929 1.00 55.41 H new ATOM 0 HB2 GLN A 49 -7.508 -4.985 1.235 1.00 74.11 H new ATOM 0 HB3 GLN A 49 -8.028 -4.644 2.874 1.00 74.11 H new ATOM 0 HG2 GLN A 49 -9.318 -6.871 1.337 1.00 30.01 H new ATOM 0 HG3 GLN A 49 -7.727 -7.104 2.035 1.00 30.01 H new ATOM 0 HE21 GLN A 49 -8.572 -8.666 3.497 1.00 4.01 H new ATOM 0 HE22 GLN A 49 -9.523 -8.164 4.899 1.00 4.01 H new ATOM 741 N ASP A 50 -9.847 -2.225 2.539 1.00 22.13 N ATOM 742 CA ASP A 50 -9.556 -0.854 2.869 1.00 21.41 C ATOM 743 C ASP A 50 -8.388 -0.861 3.804 1.00 22.44 C ATOM 744 O ASP A 50 -8.436 -1.466 4.885 1.00 61.42 O ATOM 745 CB ASP A 50 -10.752 -0.118 3.485 1.00 52.42 C ATOM 746 CG ASP A 50 -11.936 -0.018 2.550 1.00 62.34 C ATOM 747 OD1 ASP A 50 -11.960 0.890 1.685 1.00 74.04 O ATOM 748 OD2 ASP A 50 -12.868 -0.851 2.660 1.00 51.20 O ATOM 0 H ASP A 50 -10.559 -2.665 3.122 1.00 22.13 H new ATOM 0 HA ASP A 50 -9.325 -0.307 1.955 1.00 21.41 H new ATOM 0 HB2 ASP A 50 -11.058 -0.634 4.395 1.00 52.42 H new ATOM 0 HB3 ASP A 50 -10.442 0.885 3.777 1.00 52.42 H new ATOM 753 N VAL A 51 -7.348 -0.231 3.403 1.00 55.52 N ATOM 754 CA VAL A 51 -6.135 -0.281 4.120 1.00 20.24 C ATOM 755 C VAL A 51 -5.628 1.116 4.432 1.00 24.00 C ATOM 756 O VAL A 51 -5.937 2.086 3.738 1.00 44.45 O ATOM 757 CB VAL A 51 -5.073 -1.118 3.344 1.00 51.01 C ATOM 758 CG1 VAL A 51 -4.647 -0.465 2.016 1.00 62.34 C ATOM 759 CG2 VAL A 51 -3.888 -1.484 4.220 1.00 32.04 C ATOM 0 H VAL A 51 -7.317 0.340 2.558 1.00 55.52 H new ATOM 0 HA VAL A 51 -6.319 -0.779 5.072 1.00 20.24 H new ATOM 0 HB VAL A 51 -5.561 -2.053 3.068 1.00 51.01 H new ATOM 0 HG11 VAL A 51 -3.907 -1.094 1.522 1.00 62.34 H new ATOM 0 HG12 VAL A 51 -5.518 -0.353 1.370 1.00 62.34 H new ATOM 0 HG13 VAL A 51 -4.215 0.516 2.215 1.00 62.34 H new ATOM 0 HG21 VAL A 51 -3.173 -2.067 3.640 1.00 32.04 H new ATOM 0 HG22 VAL A 51 -3.408 -0.575 4.581 1.00 32.04 H new ATOM 0 HG23 VAL A 51 -4.232 -2.074 5.070 1.00 32.04 H new ATOM 769 N ILE A 52 -4.901 1.194 5.484 1.00 70.30 N ATOM 770 CA ILE A 52 -4.313 2.400 5.969 1.00 15.34 C ATOM 771 C ILE A 52 -2.811 2.240 5.851 1.00 24.23 C ATOM 772 O ILE A 52 -2.282 1.167 6.150 1.00 50.01 O ATOM 773 CB ILE A 52 -4.685 2.596 7.461 1.00 32.10 C ATOM 774 CG1 ILE A 52 -6.209 2.580 7.624 1.00 72.41 C ATOM 775 CG2 ILE A 52 -4.100 3.899 8.001 1.00 22.52 C ATOM 776 CD1 ILE A 52 -6.687 2.550 9.059 1.00 54.00 C ATOM 0 H ILE A 52 -4.685 0.383 6.063 1.00 70.30 H new ATOM 0 HA ILE A 52 -4.667 3.260 5.401 1.00 15.34 H new ATOM 0 HB ILE A 52 -4.259 1.774 8.037 1.00 32.10 H new ATOM 0 HG12 ILE A 52 -6.623 3.462 7.135 1.00 72.41 H new ATOM 0 HG13 ILE A 52 -6.608 1.710 7.103 1.00 72.41 H new ATOM 0 HG21 ILE A 52 -4.375 4.014 9.050 1.00 22.52 H new ATOM 0 HG22 ILE A 52 -3.014 3.875 7.911 1.00 22.52 H new ATOM 0 HG23 ILE A 52 -4.493 4.739 7.429 1.00 22.52 H new ATOM 0 HD11 ILE A 52 -7.777 2.540 9.079 1.00 54.00 H new ATOM 0 HD12 ILE A 52 -6.307 1.654 9.550 1.00 54.00 H new ATOM 0 HD13 ILE A 52 -6.322 3.434 9.583 1.00 54.00 H new ATOM 788 N PHE A 53 -2.145 3.252 5.380 1.00 14.43 N ATOM 789 CA PHE A 53 -0.699 3.210 5.234 1.00 72.41 C ATOM 790 C PHE A 53 -0.127 4.590 5.362 1.00 61.11 C ATOM 791 O PHE A 53 -0.868 5.555 5.517 1.00 35.34 O ATOM 792 CB PHE A 53 -0.309 2.626 3.865 1.00 22.13 C ATOM 793 CG PHE A 53 -0.925 3.340 2.695 1.00 2.22 C ATOM 794 CD1 PHE A 53 -2.184 2.993 2.247 1.00 30.31 C ATOM 795 CD2 PHE A 53 -0.245 4.350 2.039 1.00 45.45 C ATOM 796 CE1 PHE A 53 -2.746 3.630 1.181 1.00 25.31 C ATOM 797 CE2 PHE A 53 -0.807 4.992 0.970 1.00 2.31 C ATOM 798 CZ PHE A 53 -2.059 4.630 0.538 1.00 24.11 C ATOM 0 H PHE A 53 -2.574 4.129 5.085 1.00 14.43 H new ATOM 0 HA PHE A 53 -0.297 2.573 6.021 1.00 72.41 H new ATOM 0 HB2 PHE A 53 0.776 2.656 3.765 1.00 22.13 H new ATOM 0 HB3 PHE A 53 -0.603 1.577 3.832 1.00 22.13 H new ATOM 0 HD1 PHE A 53 -2.730 2.207 2.747 1.00 30.31 H new ATOM 0 HD2 PHE A 53 0.741 4.635 2.375 1.00 45.45 H new ATOM 0 HE1 PHE A 53 -3.732 3.348 0.842 1.00 25.31 H new ATOM 0 HE2 PHE A 53 -0.268 5.781 0.467 1.00 2.31 H new ATOM 0 HZ PHE A 53 -2.504 5.132 -0.308 1.00 24.11 H new ATOM 808 N ASP A 54 1.174 4.685 5.299 1.00 34.40 N ATOM 809 CA ASP A 54 1.842 5.950 5.274 1.00 60.22 C ATOM 810 C ASP A 54 2.521 6.047 3.944 1.00 72.04 C ATOM 811 O ASP A 54 2.935 5.020 3.381 1.00 13.45 O ATOM 812 CB ASP A 54 2.892 6.096 6.393 1.00 14.13 C ATOM 813 CG ASP A 54 2.340 5.929 7.794 1.00 72.30 C ATOM 814 OD1 ASP A 54 1.169 6.288 8.054 1.00 2.33 O ATOM 815 OD2 ASP A 54 3.085 5.461 8.668 1.00 72.24 O ATOM 0 H ASP A 54 1.800 3.880 5.264 1.00 34.40 H new ATOM 0 HA ASP A 54 1.111 6.743 5.433 1.00 60.22 H new ATOM 0 HB2 ASP A 54 3.679 5.358 6.235 1.00 14.13 H new ATOM 0 HB3 ASP A 54 3.356 7.079 6.313 1.00 14.13 H new ATOM 820 N LEU A 55 2.626 7.224 3.425 1.00 44.23 N ATOM 821 CA LEU A 55 3.212 7.422 2.134 1.00 15.14 C ATOM 822 C LEU A 55 4.181 8.560 2.126 1.00 30.31 C ATOM 823 O LEU A 55 3.929 9.649 2.668 1.00 10.22 O ATOM 824 CB LEU A 55 2.122 7.608 1.066 1.00 22.24 C ATOM 825 CG LEU A 55 2.534 8.054 -0.351 1.00 45.32 C ATOM 826 CD1 LEU A 55 3.568 7.137 -0.949 1.00 22.33 C ATOM 827 CD2 LEU A 55 1.307 8.109 -1.249 1.00 33.34 C ATOM 0 H LEU A 55 2.309 8.079 3.881 1.00 44.23 H new ATOM 0 HA LEU A 55 3.779 6.524 1.890 1.00 15.14 H new ATOM 0 HB2 LEU A 55 1.589 6.662 0.971 1.00 22.24 H new ATOM 0 HB3 LEU A 55 1.409 8.339 1.447 1.00 22.24 H new ATOM 0 HG LEU A 55 2.979 9.046 -0.273 1.00 45.32 H new ATOM 0 HD11 LEU A 55 3.831 7.487 -1.947 1.00 22.33 H new ATOM 0 HD12 LEU A 55 4.458 7.133 -0.320 1.00 22.33 H new ATOM 0 HD13 LEU A 55 3.165 6.126 -1.013 1.00 22.33 H new ATOM 0 HD21 LEU A 55 1.602 8.425 -2.250 1.00 33.34 H new ATOM 0 HD22 LEU A 55 0.849 7.121 -1.300 1.00 33.34 H new ATOM 0 HD23 LEU A 55 0.589 8.821 -0.841 1.00 33.34 H new ATOM 839 N GLU A 56 5.285 8.280 1.544 1.00 60.42 N ATOM 840 CA GLU A 56 6.312 9.211 1.286 1.00 12.21 C ATOM 841 C GLU A 56 6.775 8.974 -0.108 1.00 62.11 C ATOM 842 O GLU A 56 6.917 7.818 -0.534 1.00 42.32 O ATOM 843 CB GLU A 56 7.462 9.080 2.268 1.00 41.42 C ATOM 844 CG GLU A 56 7.093 9.442 3.687 1.00 64.00 C ATOM 845 CD GLU A 56 8.274 9.445 4.593 1.00 54.55 C ATOM 846 OE1 GLU A 56 9.100 10.371 4.481 1.00 50.53 O ATOM 847 OE2 GLU A 56 8.397 8.538 5.446 1.00 41.41 O ATOM 0 H GLU A 56 5.508 7.340 1.216 1.00 60.42 H new ATOM 0 HA GLU A 56 5.931 10.225 1.406 1.00 12.21 H new ATOM 0 HB2 GLU A 56 7.830 8.054 2.248 1.00 41.42 H new ATOM 0 HB3 GLU A 56 8.282 9.719 1.941 1.00 41.42 H new ATOM 0 HG2 GLU A 56 6.626 10.427 3.699 1.00 64.00 H new ATOM 0 HG3 GLU A 56 6.353 8.734 4.060 1.00 64.00 H new ATOM 854 N GLU A 57 6.986 10.019 -0.832 1.00 43.13 N ATOM 855 CA GLU A 57 7.368 9.880 -2.194 1.00 1.52 C ATOM 856 C GLU A 57 8.860 9.692 -2.350 1.00 63.03 C ATOM 857 O GLU A 57 9.674 10.320 -1.651 1.00 31.52 O ATOM 858 CB GLU A 57 6.809 10.993 -3.107 1.00 75.12 C ATOM 859 CG GLU A 57 7.124 12.423 -2.710 1.00 33.42 C ATOM 860 CD GLU A 57 6.431 12.875 -1.439 1.00 54.42 C ATOM 861 OE1 GLU A 57 5.265 13.308 -1.511 1.00 31.34 O ATOM 862 OE2 GLU A 57 7.051 12.803 -0.354 1.00 0.35 O ATOM 0 H GLU A 57 6.900 10.981 -0.503 1.00 43.13 H new ATOM 0 HA GLU A 57 6.897 8.961 -2.543 1.00 1.52 H new ATOM 0 HB2 GLU A 57 7.189 10.828 -4.115 1.00 75.12 H new ATOM 0 HB3 GLU A 57 5.725 10.883 -3.153 1.00 75.12 H new ATOM 0 HG2 GLU A 57 8.201 12.525 -2.580 1.00 33.42 H new ATOM 0 HG3 GLU A 57 6.837 13.088 -3.525 1.00 33.42 H new ATOM 869 N LYS A 58 9.201 8.808 -3.232 1.00 11.41 N ATOM 870 CA LYS A 58 10.555 8.447 -3.530 1.00 62.10 C ATOM 871 C LYS A 58 10.955 9.201 -4.783 1.00 60.51 C ATOM 872 O LYS A 58 10.996 8.635 -5.892 1.00 63.00 O ATOM 873 CB LYS A 58 10.619 6.930 -3.742 1.00 75.34 C ATOM 874 CG LYS A 58 11.992 6.340 -3.982 1.00 23.45 C ATOM 875 CD LYS A 58 11.887 4.833 -4.135 1.00 11.11 C ATOM 876 CE LYS A 58 13.235 4.182 -4.359 1.00 12.11 C ATOM 877 NZ LYS A 58 13.869 4.590 -5.626 1.00 23.12 N ATOM 0 H LYS A 58 8.517 8.295 -3.789 1.00 11.41 H new ATOM 0 HA LYS A 58 11.239 8.704 -2.721 1.00 62.10 H new ATOM 0 HB2 LYS A 58 10.187 6.445 -2.867 1.00 75.34 H new ATOM 0 HB3 LYS A 58 9.985 6.677 -4.592 1.00 75.34 H new ATOM 0 HG2 LYS A 58 12.433 6.776 -4.879 1.00 23.45 H new ATOM 0 HG3 LYS A 58 12.653 6.585 -3.151 1.00 23.45 H new ATOM 0 HD2 LYS A 58 11.426 4.411 -3.242 1.00 11.11 H new ATOM 0 HD3 LYS A 58 11.230 4.600 -4.973 1.00 11.11 H new ATOM 0 HE2 LYS A 58 13.896 4.435 -3.530 1.00 12.11 H new ATOM 0 HE3 LYS A 58 13.115 3.099 -4.352 1.00 12.11 H new ATOM 0 HZ1 LYS A 58 14.738 4.038 -5.773 1.00 23.12 H new ATOM 0 HZ2 LYS A 58 13.212 4.419 -6.414 1.00 23.12 H new ATOM 0 HZ3 LYS A 58 14.105 5.602 -5.586 1.00 23.12 H new ATOM 891 N GLN A 59 11.147 10.511 -4.595 1.00 71.41 N ATOM 892 CA GLN A 59 11.445 11.487 -5.645 1.00 32.22 C ATOM 893 C GLN A 59 10.240 11.590 -6.604 1.00 44.22 C ATOM 894 O GLN A 59 9.469 12.550 -6.537 1.00 0.23 O ATOM 895 CB GLN A 59 12.782 11.152 -6.376 1.00 64.14 C ATOM 896 CG GLN A 59 13.387 12.270 -7.270 1.00 11.42 C ATOM 897 CD GLN A 59 12.550 12.673 -8.474 1.00 11.40 C ATOM 898 OE1 GLN A 59 12.677 12.093 -9.552 1.00 60.44 O ATOM 899 NE2 GLN A 59 11.737 13.688 -8.320 1.00 20.20 N ATOM 0 H GLN A 59 11.097 10.936 -3.669 1.00 71.41 H new ATOM 0 HA GLN A 59 11.598 12.468 -5.196 1.00 32.22 H new ATOM 0 HB2 GLN A 59 13.522 10.880 -5.624 1.00 64.14 H new ATOM 0 HB3 GLN A 59 12.619 10.271 -6.996 1.00 64.14 H new ATOM 0 HG2 GLN A 59 13.553 13.153 -6.653 1.00 11.42 H new ATOM 0 HG3 GLN A 59 14.364 11.939 -7.623 1.00 11.42 H new ATOM 0 HE21 GLN A 59 11.658 14.144 -7.411 1.00 20.20 H new ATOM 0 HE22 GLN A 59 11.183 14.022 -9.109 1.00 20.20 H new ATOM 908 N GLY A 60 10.071 10.602 -7.450 1.00 32.15 N ATOM 909 CA GLY A 60 8.963 10.580 -8.366 1.00 0.52 C ATOM 910 C GLY A 60 8.052 9.388 -8.135 1.00 30.10 C ATOM 911 O GLY A 60 6.901 9.391 -8.564 1.00 51.40 O ATOM 0 H GLY A 60 10.694 9.798 -7.521 1.00 32.15 H new ATOM 0 HA2 GLY A 60 8.388 11.500 -8.261 1.00 0.52 H new ATOM 0 HA3 GLY A 60 9.340 10.555 -9.389 1.00 0.52 H new ATOM 915 N LYS A 61 8.559 8.378 -7.442 1.00 22.35 N ATOM 916 CA LYS A 61 7.785 7.166 -7.165 1.00 51.45 C ATOM 917 C LYS A 61 7.012 7.345 -5.860 1.00 24.14 C ATOM 918 O LYS A 61 7.316 8.239 -5.077 1.00 20.45 O ATOM 919 CB LYS A 61 8.709 5.941 -7.025 1.00 20.14 C ATOM 920 CG LYS A 61 9.649 5.602 -8.200 1.00 20.23 C ATOM 921 CD LYS A 61 8.970 4.999 -9.449 1.00 25.43 C ATOM 922 CE LYS A 61 8.068 5.962 -10.200 1.00 53.22 C ATOM 923 NZ LYS A 61 7.612 5.390 -11.480 1.00 3.15 N ATOM 0 H LYS A 61 9.504 8.370 -7.059 1.00 22.35 H new ATOM 0 HA LYS A 61 7.100 7.001 -7.997 1.00 51.45 H new ATOM 0 HB2 LYS A 61 9.324 6.087 -6.137 1.00 20.14 H new ATOM 0 HB3 LYS A 61 8.081 5.070 -6.838 1.00 20.14 H new ATOM 0 HG2 LYS A 61 10.172 6.511 -8.497 1.00 20.23 H new ATOM 0 HG3 LYS A 61 10.405 4.901 -7.846 1.00 20.23 H new ATOM 0 HD2 LYS A 61 9.742 4.639 -10.129 1.00 25.43 H new ATOM 0 HD3 LYS A 61 8.383 4.132 -9.145 1.00 25.43 H new ATOM 0 HE2 LYS A 61 7.204 6.209 -9.583 1.00 53.22 H new ATOM 0 HE3 LYS A 61 8.603 6.893 -10.387 1.00 53.22 H new ATOM 0 HZ1 LYS A 61 6.998 6.074 -11.967 1.00 3.15 H new ATOM 0 HZ2 LYS A 61 8.436 5.177 -12.078 1.00 3.15 H new ATOM 0 HZ3 LYS A 61 7.080 4.515 -11.299 1.00 3.15 H new ATOM 937 N ALA A 62 6.047 6.499 -5.625 1.00 21.52 N ATOM 938 CA ALA A 62 5.242 6.560 -4.419 1.00 33.54 C ATOM 939 C ALA A 62 5.062 5.159 -3.847 1.00 24.10 C ATOM 940 O ALA A 62 4.491 4.292 -4.504 1.00 52.34 O ATOM 941 CB ALA A 62 3.883 7.182 -4.732 1.00 23.11 C ATOM 0 H ALA A 62 5.790 5.744 -6.260 1.00 21.52 H new ATOM 0 HA ALA A 62 5.749 7.180 -3.680 1.00 33.54 H new ATOM 0 HB1 ALA A 62 3.284 7.225 -3.822 1.00 23.11 H new ATOM 0 HB2 ALA A 62 4.025 8.190 -5.120 1.00 23.11 H new ATOM 0 HB3 ALA A 62 3.368 6.576 -5.477 1.00 23.11 H new ATOM 947 N TYR A 63 5.541 4.938 -2.633 1.00 73.14 N ATOM 948 CA TYR A 63 5.441 3.624 -2.013 1.00 62.51 C ATOM 949 C TYR A 63 4.692 3.674 -0.693 1.00 13.21 C ATOM 950 O TYR A 63 4.922 4.551 0.145 1.00 24.13 O ATOM 951 CB TYR A 63 6.818 2.970 -1.837 1.00 53.24 C ATOM 952 CG TYR A 63 7.805 3.741 -0.966 1.00 32.13 C ATOM 953 CD1 TYR A 63 8.491 4.851 -1.448 1.00 11.43 C ATOM 954 CD2 TYR A 63 8.040 3.353 0.340 1.00 23.34 C ATOM 955 CE1 TYR A 63 9.380 5.543 -0.641 1.00 24.20 C ATOM 956 CE2 TYR A 63 8.924 4.038 1.145 1.00 52.32 C ATOM 957 CZ TYR A 63 9.589 5.132 0.648 1.00 13.34 C ATOM 958 OH TYR A 63 10.481 5.818 1.452 1.00 2.12 O ATOM 0 H TYR A 63 6.000 5.646 -2.060 1.00 73.14 H new ATOM 0 HA TYR A 63 4.863 3.001 -2.696 1.00 62.51 H new ATOM 0 HB2 TYR A 63 6.678 1.979 -1.406 1.00 53.24 H new ATOM 0 HB3 TYR A 63 7.263 2.829 -2.822 1.00 53.24 H new ATOM 0 HD1 TYR A 63 8.329 5.178 -2.464 1.00 11.43 H new ATOM 0 HD2 TYR A 63 7.519 2.494 0.738 1.00 23.34 H new ATOM 0 HE1 TYR A 63 9.906 6.403 -1.028 1.00 24.20 H new ATOM 0 HE2 TYR A 63 9.093 3.716 2.162 1.00 52.32 H new ATOM 0 HH TYR A 63 10.513 5.399 2.337 1.00 2.12 H new ATOM 968 N ALA A 64 3.800 2.746 -0.538 1.00 40.22 N ATOM 969 CA ALA A 64 2.978 2.623 0.652 1.00 22.42 C ATOM 970 C ALA A 64 3.679 1.748 1.662 1.00 35.10 C ATOM 971 O ALA A 64 4.173 0.664 1.327 1.00 52.24 O ATOM 972 CB ALA A 64 1.614 2.039 0.289 1.00 51.13 C ATOM 0 H ALA A 64 3.610 2.033 -1.242 1.00 40.22 H new ATOM 0 HA ALA A 64 2.823 3.610 1.088 1.00 22.42 H new ATOM 0 HB1 ALA A 64 1.005 1.951 1.189 1.00 51.13 H new ATOM 0 HB2 ALA A 64 1.115 2.695 -0.424 1.00 51.13 H new ATOM 0 HB3 ALA A 64 1.747 1.053 -0.157 1.00 51.13 H new ATOM 978 N VAL A 65 3.728 2.224 2.884 1.00 3.25 N ATOM 979 CA VAL A 65 4.377 1.531 3.994 1.00 65.23 C ATOM 980 C VAL A 65 3.551 1.670 5.241 1.00 44.04 C ATOM 981 O VAL A 65 2.627 2.460 5.264 1.00 50.42 O ATOM 982 CB VAL A 65 5.827 2.041 4.279 1.00 45.44 C ATOM 983 CG1 VAL A 65 6.766 1.658 3.157 1.00 63.44 C ATOM 984 CG2 VAL A 65 5.848 3.559 4.487 1.00 44.44 C ATOM 0 H VAL A 65 3.314 3.118 3.149 1.00 3.25 H new ATOM 0 HA VAL A 65 4.455 0.485 3.698 1.00 65.23 H new ATOM 0 HB VAL A 65 6.168 1.562 5.197 1.00 45.44 H new ATOM 0 HG11 VAL A 65 7.768 2.025 3.380 1.00 63.44 H new ATOM 0 HG12 VAL A 65 6.790 0.573 3.057 1.00 63.44 H new ATOM 0 HG13 VAL A 65 6.417 2.100 2.224 1.00 63.44 H new ATOM 0 HG21 VAL A 65 6.869 3.885 4.683 1.00 44.44 H new ATOM 0 HG22 VAL A 65 5.475 4.054 3.591 1.00 44.44 H new ATOM 0 HG23 VAL A 65 5.215 3.819 5.335 1.00 44.44 H new ATOM 994 N ASN A 66 3.892 0.893 6.269 1.00 63.24 N ATOM 995 CA ASN A 66 3.188 0.915 7.567 1.00 54.15 C ATOM 996 C ASN A 66 1.717 0.607 7.363 1.00 72.41 C ATOM 997 O ASN A 66 0.844 1.464 7.562 1.00 5.24 O ATOM 998 CB ASN A 66 3.360 2.260 8.288 1.00 51.24 C ATOM 999 CG ASN A 66 2.842 2.244 9.728 1.00 41.32 C ATOM 1000 OD1 ASN A 66 2.823 1.203 10.392 1.00 12.40 O ATOM 1001 ND2 ASN A 66 2.457 3.389 10.229 1.00 11.23 N ATOM 0 H ASN A 66 4.664 0.227 6.233 1.00 63.24 H new ATOM 0 HA ASN A 66 3.632 0.148 8.201 1.00 54.15 H new ATOM 0 HB2 ASN A 66 4.416 2.530 8.292 1.00 51.24 H new ATOM 0 HB3 ASN A 66 2.835 3.034 7.729 1.00 51.24 H new ATOM 0 HD21 ASN A 66 2.129 3.439 11.194 1.00 11.23 H new ATOM 0 HD22 ASN A 66 2.484 4.232 9.655 1.00 11.23 H new ATOM 1008 N LEU A 67 1.454 -0.587 6.887 1.00 21.23 N ATOM 1009 CA LEU A 67 0.113 -0.959 6.549 1.00 64.01 C ATOM 1010 C LEU A 67 -0.674 -1.386 7.760 1.00 33.14 C ATOM 1011 O LEU A 67 -0.156 -2.037 8.673 1.00 53.01 O ATOM 1012 CB LEU A 67 0.070 -2.089 5.538 1.00 75.30 C ATOM 1013 CG LEU A 67 0.796 -1.909 4.211 1.00 4.41 C ATOM 1014 CD1 LEU A 67 0.433 -3.025 3.324 1.00 72.24 C ATOM 1015 CD2 LEU A 67 0.470 -0.597 3.548 1.00 51.43 C ATOM 0 H LEU A 67 2.154 -1.312 6.728 1.00 21.23 H new ATOM 0 HA LEU A 67 -0.335 -0.065 6.115 1.00 64.01 H new ATOM 0 HB2 LEU A 67 0.476 -2.979 6.019 1.00 75.30 H new ATOM 0 HB3 LEU A 67 -0.977 -2.296 5.317 1.00 75.30 H new ATOM 0 HG LEU A 67 1.868 -1.903 4.407 1.00 4.41 H new ATOM 0 HD11 LEU A 67 0.945 -2.911 2.368 1.00 72.24 H new ATOM 0 HD12 LEU A 67 0.730 -3.967 3.785 1.00 72.24 H new ATOM 0 HD13 LEU A 67 -0.645 -3.024 3.161 1.00 72.24 H new ATOM 0 HD21 LEU A 67 1.014 -0.520 2.606 1.00 51.43 H new ATOM 0 HD22 LEU A 67 -0.601 -0.544 3.354 1.00 51.43 H new ATOM 0 HD23 LEU A 67 0.761 0.224 4.203 1.00 51.43 H new ATOM 1027 N ARG A 68 -1.908 -1.035 7.747 1.00 44.42 N ATOM 1028 CA ARG A 68 -2.840 -1.403 8.755 1.00 5.23 C ATOM 1029 C ARG A 68 -4.164 -1.587 8.045 1.00 13.21 C ATOM 1030 O ARG A 68 -4.565 -0.734 7.290 1.00 13.02 O ATOM 1031 CB ARG A 68 -2.946 -0.257 9.779 1.00 64.41 C ATOM 1032 CG ARG A 68 -3.752 -0.567 11.008 1.00 30.34 C ATOM 1033 CD ARG A 68 -3.061 -1.630 11.829 1.00 35.14 C ATOM 1034 NE ARG A 68 -1.703 -1.217 12.236 1.00 14.31 N ATOM 1035 CZ ARG A 68 -0.915 -1.876 13.100 1.00 54.13 C ATOM 1036 NH1 ARG A 68 -1.366 -2.950 13.744 1.00 2.34 N ATOM 1037 NH2 ARG A 68 0.313 -1.436 13.339 1.00 30.30 N ATOM 0 H ARG A 68 -2.314 -0.462 7.007 1.00 44.42 H new ATOM 0 HA ARG A 68 -2.544 -2.309 9.283 1.00 5.23 H new ATOM 0 HB2 ARG A 68 -1.940 0.028 10.087 1.00 64.41 H new ATOM 0 HB3 ARG A 68 -3.385 0.610 9.285 1.00 64.41 H new ATOM 0 HG2 ARG A 68 -3.882 0.336 11.604 1.00 30.34 H new ATOM 0 HG3 ARG A 68 -4.748 -0.907 10.723 1.00 30.34 H new ATOM 0 HD2 ARG A 68 -3.656 -1.847 12.716 1.00 35.14 H new ATOM 0 HD3 ARG A 68 -3.002 -2.553 11.252 1.00 35.14 H new ATOM 0 HE ARG A 68 -1.333 -0.359 11.826 1.00 14.31 H new ATOM 0 HH11 ARG A 68 -2.318 -3.279 13.583 1.00 2.34 H new ATOM 0 HH12 ARG A 68 -0.760 -3.444 14.399 1.00 2.34 H new ATOM 0 HH21 ARG A 68 0.656 -0.599 12.867 1.00 30.30 H new ATOM 0 HH22 ARG A 68 0.915 -1.934 13.995 1.00 30.30 H new ATOM 1051 N ILE A 69 -4.823 -2.675 8.262 1.00 73.20 N ATOM 1052 CA ILE A 69 -6.068 -2.914 7.614 1.00 51.54 C ATOM 1053 C ILE A 69 -7.227 -2.450 8.447 1.00 42.11 C ATOM 1054 O ILE A 69 -7.210 -2.568 9.683 1.00 11.01 O ATOM 1055 CB ILE A 69 -6.267 -4.395 7.214 1.00 30.51 C ATOM 1056 CG1 ILE A 69 -6.207 -5.398 8.413 1.00 25.42 C ATOM 1057 CG2 ILE A 69 -5.330 -4.799 6.095 1.00 33.13 C ATOM 1058 CD1 ILE A 69 -4.908 -5.476 9.216 1.00 53.02 C ATOM 0 H ILE A 69 -4.517 -3.419 8.889 1.00 73.20 H new ATOM 0 HA ILE A 69 -6.036 -2.327 6.696 1.00 51.54 H new ATOM 0 HB ILE A 69 -7.289 -4.459 6.842 1.00 30.51 H new ATOM 0 HG12 ILE A 69 -7.012 -5.143 9.103 1.00 25.42 H new ATOM 0 HG13 ILE A 69 -6.422 -6.394 8.027 1.00 25.42 H new ATOM 0 HG21 ILE A 69 -5.498 -5.845 5.840 1.00 33.13 H new ATOM 0 HG22 ILE A 69 -5.519 -4.177 5.220 1.00 33.13 H new ATOM 0 HG23 ILE A 69 -4.298 -4.665 6.419 1.00 33.13 H new ATOM 0 HD11 ILE A 69 -5.016 -6.212 10.013 1.00 53.02 H new ATOM 0 HD12 ILE A 69 -4.091 -5.771 8.558 1.00 53.02 H new ATOM 0 HD13 ILE A 69 -4.690 -4.501 9.651 1.00 53.02 H new ATOM 1070 N LYS A 70 -8.196 -1.893 7.787 1.00 15.03 N ATOM 1071 CA LYS A 70 -9.413 -1.461 8.439 1.00 61.02 C ATOM 1072 C LYS A 70 -10.301 -2.663 8.716 1.00 4.21 C ATOM 1073 O LYS A 70 -10.884 -3.219 7.758 1.00 36.98 O ATOM 1074 CB LYS A 70 -10.172 -0.412 7.615 1.00 25.43 C ATOM 1075 CG LYS A 70 -9.425 0.886 7.387 1.00 3.22 C ATOM 1076 CD LYS A 70 -10.271 1.890 6.603 1.00 60.13 C ATOM 1077 CE LYS A 70 -11.489 2.354 7.400 1.00 34.33 C ATOM 1078 NZ LYS A 70 -12.355 3.255 6.614 1.00 62.40 N ATOM 1079 OXT LYS A 70 -10.426 -3.057 9.894 1.00 36.98 O ATOM 0 H LYS A 70 -8.174 -1.721 6.782 1.00 15.03 H new ATOM 0 HA LYS A 70 -9.135 -0.987 9.380 1.00 61.02 H new ATOM 0 HB2 LYS A 70 -10.423 -0.845 6.646 1.00 25.43 H new ATOM 0 HB3 LYS A 70 -11.113 -0.189 8.117 1.00 25.43 H new ATOM 0 HG2 LYS A 70 -9.143 1.318 8.347 1.00 3.22 H new ATOM 0 HG3 LYS A 70 -8.501 0.685 6.844 1.00 3.22 H new ATOM 0 HD2 LYS A 70 -9.659 2.753 6.340 1.00 60.13 H new ATOM 0 HD3 LYS A 70 -10.600 1.436 5.668 1.00 60.13 H new ATOM 0 HE2 LYS A 70 -12.065 1.486 7.720 1.00 34.33 H new ATOM 0 HE3 LYS A 70 -11.157 2.867 8.303 1.00 34.33 H new ATOM 0 HZ1 LYS A 70 -13.169 3.546 7.192 1.00 62.40 H new ATOM 0 HZ2 LYS A 70 -11.814 4.096 6.330 1.00 62.40 H new ATOM 0 HZ3 LYS A 70 -12.693 2.758 5.765 1.00 62.40 H new TER 1093 LYS A 70