USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 594 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 47 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.156 K(o=-0.16,f=-5.3!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0126 K(o=-0.013,f=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.037 (180deg=-0.363) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc=-0.00518 (180deg=-0.149) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 62:sc= 0.464 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.8 F(o=-1.4,f=-0.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.02! C(o=-3!,f=-7.6!) USER MOD Single : A 49 LYS NZ :NH3+ 157:sc= -0.123 (180deg=-0.734) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.51 K(o=-2.5,f=-4.6!) USER MOD Single : A 56 GLN : amide:sc= -10.8! C(o=-11!,f=-24!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0119) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0705 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.654 -0.812 -1.816 1.00 0.00 N ATOM 2 CA GLY A 1 17.366 -0.172 -2.014 1.00 0.00 C ATOM 3 C GLY A 1 17.464 1.341 -2.012 1.00 0.00 C ATOM 4 O GLY A 1 18.053 1.933 -2.916 1.00 0.00 O ATOM 0 H1 GLY A 1 18.533 -1.845 -1.825 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.302 -0.532 -2.580 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.051 -0.518 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.940 -0.504 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.681 -0.490 -1.228 1.00 0.00 H new ATOM 8 N SER A 2 16.884 1.968 -0.994 1.00 0.00 N ATOM 9 CA SER A 2 16.903 3.422 -0.880 1.00 0.00 C ATOM 10 C SER A 2 17.467 3.853 0.470 1.00 0.00 C ATOM 11 O SER A 2 17.506 3.070 1.418 1.00 0.00 O ATOM 12 CB SER A 2 15.493 3.987 -1.061 1.00 0.00 C ATOM 13 OG SER A 2 14.902 3.512 -2.258 1.00 0.00 O ATOM 0 H SER A 2 16.395 1.492 -0.236 1.00 0.00 H new ATOM 0 HA SER A 2 17.548 3.816 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.873 3.706 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.534 5.076 -1.079 1.00 0.00 H new ATOM 0 HG SER A 2 14.001 3.886 -2.349 1.00 0.00 H new ATOM 19 N SER A 3 17.905 5.106 0.548 1.00 0.00 N ATOM 20 CA SER A 3 18.471 5.643 1.780 1.00 0.00 C ATOM 21 C SER A 3 17.371 5.974 2.784 1.00 0.00 C ATOM 22 O SER A 3 16.235 6.258 2.407 1.00 0.00 O ATOM 23 CB SER A 3 19.300 6.894 1.483 1.00 0.00 C ATOM 24 OG SER A 3 18.486 7.934 0.969 1.00 0.00 O ATOM 0 H SER A 3 17.879 5.768 -0.228 1.00 0.00 H new ATOM 0 HA SER A 3 19.119 4.882 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.795 7.231 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.084 6.653 0.765 1.00 0.00 H new ATOM 0 HG SER A 3 19.038 8.723 0.789 1.00 0.00 H new ATOM 30 N GLY A 4 17.718 5.936 4.067 1.00 0.00 N ATOM 31 CA GLY A 4 16.750 6.234 5.107 1.00 0.00 C ATOM 32 C GLY A 4 17.324 6.060 6.499 1.00 0.00 C ATOM 33 O GLY A 4 16.906 5.174 7.244 1.00 0.00 O ATOM 0 H GLY A 4 18.652 5.704 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.397 7.258 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.884 5.583 4.990 1.00 0.00 H new ATOM 37 N SER A 5 18.285 6.909 6.852 1.00 0.00 N ATOM 38 CA SER A 5 18.920 6.842 8.162 1.00 0.00 C ATOM 39 C SER A 5 17.946 7.257 9.261 1.00 0.00 C ATOM 40 O SER A 5 17.609 6.464 10.140 1.00 0.00 O ATOM 41 CB SER A 5 20.159 7.739 8.198 1.00 0.00 C ATOM 42 OG SER A 5 21.077 7.301 9.185 1.00 0.00 O ATOM 0 H SER A 5 18.640 7.651 6.249 1.00 0.00 H new ATOM 0 HA SER A 5 19.222 5.810 8.339 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.642 7.737 7.221 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.862 8.767 8.404 1.00 0.00 H new ATOM 0 HG SER A 5 21.861 7.889 9.187 1.00 0.00 H new ATOM 48 N SER A 6 17.497 8.507 9.203 1.00 0.00 N ATOM 49 CA SER A 6 16.564 9.031 10.194 1.00 0.00 C ATOM 50 C SER A 6 15.139 9.033 9.650 1.00 0.00 C ATOM 51 O SER A 6 14.922 9.153 8.445 1.00 0.00 O ATOM 52 CB SER A 6 16.967 10.448 10.605 1.00 0.00 C ATOM 53 OG SER A 6 18.297 10.478 11.095 1.00 0.00 O ATOM 0 H SER A 6 17.764 9.175 8.480 1.00 0.00 H new ATOM 0 HA SER A 6 16.599 8.382 11.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.876 11.118 9.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.285 10.815 11.372 1.00 0.00 H new ATOM 0 HG SER A 6 18.531 11.395 11.349 1.00 0.00 H new ATOM 59 N GLY A 7 14.169 8.898 10.550 1.00 0.00 N ATOM 60 CA GLY A 7 12.776 8.886 10.143 1.00 0.00 C ATOM 61 C GLY A 7 12.196 7.486 10.100 1.00 0.00 C ATOM 62 O GLY A 7 12.064 6.895 9.029 1.00 0.00 O ATOM 0 H GLY A 7 14.323 8.797 11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.194 9.496 10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.685 9.344 9.158 1.00 0.00 H new ATOM 66 N ASN A 8 11.850 6.955 11.268 1.00 0.00 N ATOM 67 CA ASN A 8 11.283 5.614 11.359 1.00 0.00 C ATOM 68 C ASN A 8 9.779 5.675 11.610 1.00 0.00 C ATOM 69 O ASN A 8 9.323 5.510 12.741 1.00 0.00 O ATOM 70 CB ASN A 8 11.967 4.824 12.477 1.00 0.00 C ATOM 71 CG ASN A 8 11.897 5.536 13.814 1.00 0.00 C ATOM 72 OD1 ASN A 8 12.221 6.719 13.918 1.00 0.00 O ATOM 73 ND2 ASN A 8 11.473 4.816 14.846 1.00 0.00 N ATOM 0 H ASN A 8 11.952 7.432 12.164 1.00 0.00 H new ATOM 0 HA ASN A 8 11.454 5.108 10.409 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.498 3.844 12.565 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.011 4.655 12.213 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.406 5.241 15.771 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.215 3.838 14.714 1.00 0.00 H new ATOM 80 N GLN A 9 9.017 5.913 10.548 1.00 0.00 N ATOM 81 CA GLN A 9 7.565 5.995 10.654 1.00 0.00 C ATOM 82 C GLN A 9 6.893 4.973 9.744 1.00 0.00 C ATOM 83 O GLN A 9 6.444 5.304 8.646 1.00 0.00 O ATOM 84 CB GLN A 9 7.086 7.404 10.299 1.00 0.00 C ATOM 85 CG GLN A 9 7.546 8.469 11.282 1.00 0.00 C ATOM 86 CD GLN A 9 7.055 9.855 10.913 1.00 0.00 C ATOM 87 OE1 GLN A 9 5.886 10.185 11.116 1.00 0.00 O ATOM 88 NE2 GLN A 9 7.946 10.674 10.369 1.00 0.00 N ATOM 0 H GLN A 9 9.380 6.052 9.605 1.00 0.00 H new ATOM 0 HA GLN A 9 7.288 5.773 11.685 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.446 7.661 9.303 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.997 7.408 10.255 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.189 8.215 12.280 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.635 8.473 11.324 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.904 10.358 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.673 11.619 10.101 1.00 0.00 H new ATOM 97 N LEU A 10 6.828 3.729 10.206 1.00 0.00 N ATOM 98 CA LEU A 10 6.212 2.657 9.433 1.00 0.00 C ATOM 99 C LEU A 10 4.737 2.506 9.791 1.00 0.00 C ATOM 100 O LEU A 10 4.316 2.862 10.892 1.00 0.00 O ATOM 101 CB LEU A 10 6.946 1.337 9.678 1.00 0.00 C ATOM 102 CG LEU A 10 8.201 1.101 8.838 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.333 2.003 9.305 1.00 0.00 C ATOM 104 CD2 LEU A 10 8.619 -0.361 8.902 1.00 0.00 C ATOM 0 H LEU A 10 7.195 3.438 11.112 1.00 0.00 H new ATOM 0 HA LEU A 10 6.286 2.916 8.377 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.224 1.289 10.731 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.251 0.518 9.494 1.00 0.00 H new ATOM 0 HG LEU A 10 7.973 1.347 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.218 1.821 8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.032 3.046 9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.561 1.789 10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.514 -0.510 8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.829 -0.634 9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.814 -0.987 8.518 1.00 0.00 H new ATOM 116 N TRP A 11 3.958 1.974 8.856 1.00 0.00 N ATOM 117 CA TRP A 11 2.530 1.774 9.075 1.00 0.00 C ATOM 118 C TRP A 11 2.279 1.020 10.377 1.00 0.00 C ATOM 119 O TRP A 11 3.213 0.534 11.015 1.00 0.00 O ATOM 120 CB TRP A 11 1.916 1.008 7.902 1.00 0.00 C ATOM 121 CG TRP A 11 1.804 1.827 6.652 1.00 0.00 C ATOM 122 CD1 TRP A 11 2.781 2.596 6.086 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.650 1.960 5.814 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.303 3.199 4.947 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.000 2.825 4.758 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.643 1.432 5.852 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.101 3.171 3.752 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.533 1.778 4.854 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.158 2.640 3.815 1.00 0.00 C ATOM 0 H TRP A 11 4.291 1.674 7.940 1.00 0.00 H new ATOM 0 HA TRP A 11 2.058 2.754 9.147 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.522 0.125 7.697 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.925 0.655 8.187 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.781 2.713 6.476 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.834 3.824 4.341 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.941 0.765 6.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.388 3.835 2.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.536 1.377 4.875 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.877 2.890 3.049 1.00 0.00 H new ATOM 140 N THR A 12 1.011 0.926 10.766 1.00 0.00 N ATOM 141 CA THR A 12 0.638 0.232 11.992 1.00 0.00 C ATOM 142 C THR A 12 -0.293 -0.939 11.700 1.00 0.00 C ATOM 143 O THR A 12 -1.186 -0.840 10.858 1.00 0.00 O ATOM 144 CB THR A 12 -0.050 1.184 12.989 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.372 0.481 14.195 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.316 1.775 12.387 1.00 0.00 C ATOM 0 H THR A 12 0.226 1.322 10.250 1.00 0.00 H new ATOM 0 HA THR A 12 1.560 -0.143 12.436 1.00 0.00 H new ATOM 0 HB THR A 12 0.639 1.997 13.216 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.807 1.093 14.824 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.784 2.444 13.109 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.064 2.334 11.486 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.008 0.972 12.134 1.00 0.00 H new ATOM 154 N VAL A 13 -0.080 -2.048 12.400 1.00 0.00 N ATOM 155 CA VAL A 13 -0.902 -3.238 12.217 1.00 0.00 C ATOM 156 C VAL A 13 -2.357 -2.866 11.954 1.00 0.00 C ATOM 157 O VAL A 13 -3.016 -3.463 11.103 1.00 0.00 O ATOM 158 CB VAL A 13 -0.834 -4.163 13.447 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.284 -3.422 14.697 1.00 0.00 C ATOM 160 CG2 VAL A 13 -1.677 -5.409 13.224 1.00 0.00 C ATOM 0 H VAL A 13 0.655 -2.147 13.100 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.503 -3.767 11.352 1.00 0.00 H new ATOM 0 HB VAL A 13 0.201 -4.474 13.590 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.229 -4.091 15.556 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.634 -2.563 14.864 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.311 -3.081 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.617 -6.051 14.103 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.715 -5.121 13.055 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.304 -5.950 12.354 1.00 0.00 H new ATOM 170 N GLU A 14 -2.851 -1.876 12.691 1.00 0.00 N ATOM 171 CA GLU A 14 -4.229 -1.425 12.537 1.00 0.00 C ATOM 172 C GLU A 14 -4.495 -0.967 11.106 1.00 0.00 C ATOM 173 O GLU A 14 -5.527 -1.294 10.521 1.00 0.00 O ATOM 174 CB GLU A 14 -4.528 -0.285 13.513 1.00 0.00 C ATOM 175 CG GLU A 14 -5.020 -0.759 14.870 1.00 0.00 C ATOM 176 CD GLU A 14 -6.501 -1.087 14.872 1.00 0.00 C ATOM 177 OE1 GLU A 14 -7.313 -0.160 15.080 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.848 -2.268 14.666 1.00 0.00 O ATOM 0 H GLU A 14 -2.318 -1.372 13.400 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.886 -2.266 12.759 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.625 0.310 13.651 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.279 0.371 13.073 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.456 -1.642 15.169 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.822 0.012 15.614 1.00 0.00 H new ATOM 185 N GLU A 15 -3.557 -0.208 10.550 1.00 0.00 N ATOM 186 CA GLU A 15 -3.691 0.296 9.188 1.00 0.00 C ATOM 187 C GLU A 15 -3.305 -0.775 8.171 1.00 0.00 C ATOM 188 O GLU A 15 -4.071 -1.082 7.259 1.00 0.00 O ATOM 189 CB GLU A 15 -2.819 1.538 8.992 1.00 0.00 C ATOM 190 CG GLU A 15 -3.440 2.811 9.543 1.00 0.00 C ATOM 191 CD GLU A 15 -4.222 2.573 10.820 1.00 0.00 C ATOM 192 OE1 GLU A 15 -5.234 1.844 10.770 1.00 0.00 O ATOM 193 OE2 GLU A 15 -3.820 3.117 11.870 1.00 0.00 O ATOM 0 H GLU A 15 -2.696 0.072 11.021 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.735 0.565 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.856 1.375 9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.624 1.670 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.654 3.541 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.101 3.243 8.792 1.00 0.00 H new ATOM 200 N GLN A 16 -2.113 -1.338 8.337 1.00 0.00 N ATOM 201 CA GLN A 16 -1.625 -2.373 7.433 1.00 0.00 C ATOM 202 C GLN A 16 -2.761 -3.291 6.994 1.00 0.00 C ATOM 203 O GLN A 16 -2.976 -3.504 5.801 1.00 0.00 O ATOM 204 CB GLN A 16 -0.523 -3.191 8.108 1.00 0.00 C ATOM 205 CG GLN A 16 0.817 -2.476 8.166 1.00 0.00 C ATOM 206 CD GLN A 16 1.866 -3.263 8.926 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.557 -3.959 9.893 1.00 0.00 O ATOM 208 NE2 GLN A 16 3.117 -3.157 8.491 1.00 0.00 N ATOM 0 H GLN A 16 -1.467 -1.095 9.089 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.215 -1.885 6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.836 -3.440 9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.400 -4.132 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.171 -2.292 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.685 -1.503 8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.329 -2.569 7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.866 -3.664 8.963 1.00 0.00 H new ATOM 217 N LYS A 17 -3.485 -3.835 7.967 1.00 0.00 N ATOM 218 CA LYS A 17 -4.599 -4.731 7.682 1.00 0.00 C ATOM 219 C LYS A 17 -5.757 -3.972 7.041 1.00 0.00 C ATOM 220 O LYS A 17 -6.423 -4.480 6.139 1.00 0.00 O ATOM 221 CB LYS A 17 -5.072 -5.414 8.967 1.00 0.00 C ATOM 222 CG LYS A 17 -5.476 -4.440 10.061 1.00 0.00 C ATOM 223 CD LYS A 17 -5.235 -5.022 11.443 1.00 0.00 C ATOM 224 CE LYS A 17 -6.232 -6.124 11.765 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.628 -5.609 11.828 1.00 0.00 N ATOM 0 H LYS A 17 -3.320 -3.671 8.960 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.253 -5.490 6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.920 -6.059 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.275 -6.057 9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.911 -3.514 9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.530 -4.185 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.221 -5.419 11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.311 -4.232 12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.167 -6.905 11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.971 -6.583 12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.227 -6.291 12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.640 -4.698 12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.994 -5.478 10.863 1.00 0.00 H new ATOM 239 N LYS A 18 -5.991 -2.752 7.512 1.00 0.00 N ATOM 240 CA LYS A 18 -7.067 -1.921 6.984 1.00 0.00 C ATOM 241 C LYS A 18 -6.906 -1.712 5.481 1.00 0.00 C ATOM 242 O LYS A 18 -7.866 -1.838 4.720 1.00 0.00 O ATOM 243 CB LYS A 18 -7.091 -0.567 7.697 1.00 0.00 C ATOM 244 CG LYS A 18 -8.457 0.097 7.697 1.00 0.00 C ATOM 245 CD LYS A 18 -8.748 0.774 6.368 1.00 0.00 C ATOM 246 CE LYS A 18 -10.201 1.210 6.271 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.609 2.043 7.436 1.00 0.00 N ATOM 0 H LYS A 18 -5.450 -2.316 8.259 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.011 -2.436 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.762 -0.703 8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.373 0.099 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.225 -0.649 7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.505 0.833 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.098 1.641 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.517 0.090 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.350 1.775 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.841 0.330 6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.529 2.486 7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.687 1.443 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.896 2.782 7.601 1.00 0.00 H new ATOM 261 N LEU A 19 -5.686 -1.396 5.060 1.00 0.00 N ATOM 262 CA LEU A 19 -5.399 -1.172 3.648 1.00 0.00 C ATOM 263 C LEU A 19 -5.809 -2.379 2.810 1.00 0.00 C ATOM 264 O LEU A 19 -6.528 -2.244 1.821 1.00 0.00 O ATOM 265 CB LEU A 19 -3.910 -0.882 3.449 1.00 0.00 C ATOM 266 CG LEU A 19 -3.403 -0.927 2.007 1.00 0.00 C ATOM 267 CD1 LEU A 19 -4.147 0.084 1.148 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.904 -0.670 1.960 1.00 0.00 C ATOM 0 H LEU A 19 -4.880 -1.289 5.676 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.979 -0.310 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.695 0.105 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.339 -1.601 4.036 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.593 -1.923 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.773 0.038 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.212 -0.146 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.990 1.086 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.561 -0.706 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.690 0.313 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.386 -1.433 2.541 1.00 0.00 H new ATOM 280 N GLU A 20 -5.349 -3.558 3.216 1.00 0.00 N ATOM 281 CA GLU A 20 -5.669 -4.790 2.503 1.00 0.00 C ATOM 282 C GLU A 20 -7.137 -4.810 2.086 1.00 0.00 C ATOM 283 O GLU A 20 -7.460 -5.075 0.929 1.00 0.00 O ATOM 284 CB GLU A 20 -5.359 -6.007 3.377 1.00 0.00 C ATOM 285 CG GLU A 20 -3.907 -6.086 3.816 1.00 0.00 C ATOM 286 CD GLU A 20 -3.667 -7.174 4.844 1.00 0.00 C ATOM 287 OE1 GLU A 20 -4.358 -8.213 4.781 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.789 -6.988 5.713 1.00 0.00 O ATOM 0 H GLU A 20 -4.754 -3.687 4.034 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.053 -4.831 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.996 -5.981 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.614 -6.913 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.277 -6.269 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.604 -5.125 4.232 1.00 0.00 H new ATOM 295 N GLN A 21 -8.021 -4.529 3.039 1.00 0.00 N ATOM 296 CA GLN A 21 -9.454 -4.516 2.771 1.00 0.00 C ATOM 297 C GLN A 21 -9.810 -3.426 1.765 1.00 0.00 C ATOM 298 O GLN A 21 -10.584 -3.654 0.834 1.00 0.00 O ATOM 299 CB GLN A 21 -10.235 -4.304 4.069 1.00 0.00 C ATOM 300 CG GLN A 21 -10.134 -5.471 5.038 1.00 0.00 C ATOM 301 CD GLN A 21 -11.156 -5.392 6.155 1.00 0.00 C ATOM 302 OE1 GLN A 21 -10.915 -4.768 7.189 1.00 0.00 O ATOM 303 NE2 GLN A 21 -12.305 -6.026 5.952 1.00 0.00 N ATOM 0 H GLN A 21 -7.770 -4.308 4.002 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.727 -5.481 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.869 -3.402 4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.284 -4.133 3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.270 -6.405 4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.133 -5.496 5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.462 -6.531 5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.031 -6.008 6.668 1.00 0.00 H new ATOM 312 N LEU A 22 -9.242 -2.241 1.959 1.00 0.00 N ATOM 313 CA LEU A 22 -9.500 -1.114 1.068 1.00 0.00 C ATOM 314 C LEU A 22 -9.076 -1.441 -0.360 1.00 0.00 C ATOM 315 O LEU A 22 -9.895 -1.431 -1.280 1.00 0.00 O ATOM 316 CB LEU A 22 -8.759 0.130 1.560 1.00 0.00 C ATOM 317 CG LEU A 22 -9.294 0.766 2.844 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.210 1.587 3.525 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.511 1.630 2.543 1.00 0.00 C ATOM 0 H LEU A 22 -8.600 -2.035 2.725 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.572 -0.917 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.713 -0.133 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.784 0.880 0.769 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.597 -0.031 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.609 2.032 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.368 0.942 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.875 2.377 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.879 2.075 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.233 2.420 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.294 1.014 2.100 1.00 0.00 H new ATOM 331 N LEU A 23 -7.792 -1.733 -0.538 1.00 0.00 N ATOM 332 CA LEU A 23 -7.259 -2.065 -1.855 1.00 0.00 C ATOM 333 C LEU A 23 -8.286 -2.834 -2.680 1.00 0.00 C ATOM 334 O LEU A 23 -8.519 -2.519 -3.848 1.00 0.00 O ATOM 335 CB LEU A 23 -5.979 -2.892 -1.715 1.00 0.00 C ATOM 336 CG LEU A 23 -4.713 -2.113 -1.355 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.553 -3.065 -1.109 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.367 -1.121 -2.456 1.00 0.00 C ATOM 0 H LEU A 23 -7.101 -1.747 0.212 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.028 -1.133 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.143 -3.652 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.804 -3.416 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.900 -1.556 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.661 -2.493 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.801 -3.736 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.364 -3.649 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.464 -0.575 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.199 -1.658 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.190 -0.418 -2.585 1.00 0.00 H new ATOM 350 N ILE A 24 -8.897 -3.840 -2.066 1.00 0.00 N ATOM 351 CA ILE A 24 -9.902 -4.651 -2.743 1.00 0.00 C ATOM 352 C ILE A 24 -11.155 -3.836 -3.043 1.00 0.00 C ATOM 353 O ILE A 24 -11.729 -3.935 -4.128 1.00 0.00 O ATOM 354 CB ILE A 24 -10.293 -5.881 -1.903 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.053 -6.717 -1.576 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.325 -6.721 -2.641 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.171 -7.490 -0.281 1.00 0.00 C ATOM 0 H ILE A 24 -8.714 -4.114 -1.101 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.457 -4.987 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.735 -5.538 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.870 -7.416 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.186 -6.059 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.591 -7.587 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.216 -6.121 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.909 -7.058 -3.590 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.257 -8.060 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.323 -6.795 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.018 -8.173 -0.341 1.00 0.00 H new ATOM 369 N LYS A 25 -11.574 -3.027 -2.076 1.00 0.00 N ATOM 370 CA LYS A 25 -12.758 -2.191 -2.236 1.00 0.00 C ATOM 371 C LYS A 25 -12.565 -1.186 -3.367 1.00 0.00 C ATOM 372 O LYS A 25 -13.492 -0.908 -4.128 1.00 0.00 O ATOM 373 CB LYS A 25 -13.066 -1.453 -0.931 1.00 0.00 C ATOM 374 CG LYS A 25 -14.217 -0.469 -1.046 1.00 0.00 C ATOM 375 CD LYS A 25 -14.130 0.619 0.011 1.00 0.00 C ATOM 376 CE LYS A 25 -15.466 1.319 0.203 1.00 0.00 C ATOM 377 NZ LYS A 25 -16.298 0.652 1.242 1.00 0.00 N ATOM 0 H LYS A 25 -11.111 -2.932 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.598 -2.838 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.300 -2.184 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.173 -0.919 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.211 -0.016 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.163 -1.001 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.807 0.184 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.374 1.349 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.294 2.357 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.008 1.332 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.200 1.159 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.484 -0.332 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.792 0.662 2.151 1.00 0.00 H new ATOM 391 N TYR A 26 -11.356 -0.646 -3.473 1.00 0.00 N ATOM 392 CA TYR A 26 -11.043 0.328 -4.511 1.00 0.00 C ATOM 393 C TYR A 26 -10.203 -0.305 -5.617 1.00 0.00 C ATOM 394 O TYR A 26 -8.975 -0.351 -5.550 1.00 0.00 O ATOM 395 CB TYR A 26 -10.299 1.523 -3.911 1.00 0.00 C ATOM 396 CG TYR A 26 -11.195 2.476 -3.153 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.017 3.372 -3.827 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.220 2.482 -1.764 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.837 4.245 -3.139 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.038 3.350 -1.068 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.844 4.230 -1.760 1.00 0.00 C ATOM 402 OH TYR A 26 -13.659 5.097 -1.070 1.00 0.00 O ATOM 0 H TYR A 26 -10.577 -0.866 -2.853 1.00 0.00 H new ATOM 0 HA TYR A 26 -11.982 0.673 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.522 1.157 -3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.798 2.068 -4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.014 3.386 -4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.589 1.796 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.469 4.935 -3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.047 3.340 0.012 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.545 4.957 -0.107 1.00 0.00 H new ATOM 412 N PRO A 27 -10.882 -0.804 -6.661 1.00 0.00 N ATOM 413 CA PRO A 27 -10.220 -1.443 -7.802 1.00 0.00 C ATOM 414 C PRO A 27 -9.447 -0.444 -8.657 1.00 0.00 C ATOM 415 O PRO A 27 -9.600 0.771 -8.527 1.00 0.00 O ATOM 416 CB PRO A 27 -11.383 -2.039 -8.598 1.00 0.00 C ATOM 417 CG PRO A 27 -12.560 -1.200 -8.236 1.00 0.00 C ATOM 418 CD PRO A 27 -12.347 -0.783 -6.807 1.00 0.00 C ATOM 0 HA PRO A 27 -9.481 -2.179 -7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -11.187 -2.005 -9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.547 -3.084 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.635 -0.331 -8.889 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.488 -1.762 -8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.756 0.208 -6.612 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.830 -1.469 -6.112 1.00 0.00 H new ATOM 426 N PRO A 28 -8.595 -0.965 -9.553 1.00 0.00 N ATOM 427 CA PRO A 28 -7.782 -0.136 -10.448 1.00 0.00 C ATOM 428 C PRO A 28 -8.621 0.568 -11.508 1.00 0.00 C ATOM 429 O PRO A 28 -9.176 -0.074 -12.400 1.00 0.00 O ATOM 430 CB PRO A 28 -6.832 -1.144 -11.099 1.00 0.00 C ATOM 431 CG PRO A 28 -7.555 -2.445 -11.031 1.00 0.00 C ATOM 432 CD PRO A 28 -8.362 -2.404 -9.763 1.00 0.00 C ATOM 0 HA PRO A 28 -7.273 0.665 -9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.609 -0.869 -12.130 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.881 -1.191 -10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.200 -2.579 -11.900 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.855 -3.280 -11.021 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.299 -2.952 -9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.821 -2.850 -8.928 1.00 0.00 H new ATOM 440 N GLU A 29 -8.709 1.890 -11.405 1.00 0.00 N ATOM 441 CA GLU A 29 -9.481 2.681 -12.356 1.00 0.00 C ATOM 442 C GLU A 29 -8.578 3.264 -13.439 1.00 0.00 C ATOM 443 O GLU A 29 -7.366 3.053 -13.430 1.00 0.00 O ATOM 444 CB GLU A 29 -10.223 3.807 -11.634 1.00 0.00 C ATOM 445 CG GLU A 29 -9.302 4.781 -10.918 1.00 0.00 C ATOM 446 CD GLU A 29 -10.027 6.022 -10.435 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.184 6.967 -11.236 1.00 0.00 O ATOM 448 OE2 GLU A 29 -10.437 6.048 -9.256 1.00 0.00 O ATOM 0 H GLU A 29 -8.255 2.436 -10.673 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.209 2.022 -12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.826 4.355 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.911 3.371 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.841 4.280 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.496 5.074 -11.591 1.00 0.00 H new ATOM 455 N GLU A 30 -9.179 3.997 -14.371 1.00 0.00 N ATOM 456 CA GLU A 30 -8.429 4.609 -15.462 1.00 0.00 C ATOM 457 C GLU A 30 -7.057 5.076 -14.984 1.00 0.00 C ATOM 458 O GLU A 30 -6.038 4.795 -15.616 1.00 0.00 O ATOM 459 CB GLU A 30 -9.207 5.791 -16.045 1.00 0.00 C ATOM 460 CG GLU A 30 -9.838 6.684 -14.990 1.00 0.00 C ATOM 461 CD GLU A 30 -10.842 7.658 -15.576 1.00 0.00 C ATOM 462 OE1 GLU A 30 -10.418 8.583 -16.300 1.00 0.00 O ATOM 463 OE2 GLU A 30 -12.051 7.495 -15.310 1.00 0.00 O ATOM 0 H GLU A 30 -10.182 4.181 -14.393 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.288 3.857 -16.238 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.535 6.389 -16.661 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.989 5.411 -16.703 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.333 6.064 -14.243 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.055 7.241 -14.475 1.00 0.00 H new ATOM 470 N VAL A 31 -7.038 5.791 -13.863 1.00 0.00 N ATOM 471 CA VAL A 31 -5.793 6.296 -13.299 1.00 0.00 C ATOM 472 C VAL A 31 -5.452 5.586 -11.995 1.00 0.00 C ATOM 473 O VAL A 31 -6.339 5.118 -11.282 1.00 0.00 O ATOM 474 CB VAL A 31 -5.868 7.813 -13.041 1.00 0.00 C ATOM 475 CG1 VAL A 31 -4.478 8.429 -13.067 1.00 0.00 C ATOM 476 CG2 VAL A 31 -6.777 8.482 -14.061 1.00 0.00 C ATOM 0 H VAL A 31 -7.872 6.033 -13.328 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.011 6.098 -14.032 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.291 7.975 -12.050 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.552 9.501 -12.883 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.862 7.969 -12.294 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.023 8.259 -14.043 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.819 9.553 -13.864 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.385 8.312 -15.064 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.779 8.060 -13.987 1.00 0.00 H new ATOM 486 N GLU A 32 -4.160 5.509 -11.688 1.00 0.00 N ATOM 487 CA GLU A 32 -3.702 4.854 -10.468 1.00 0.00 C ATOM 488 C GLU A 32 -3.397 5.881 -9.382 1.00 0.00 C ATOM 489 O GLU A 32 -3.375 5.557 -8.195 1.00 0.00 O ATOM 490 CB GLU A 32 -2.458 4.010 -10.752 1.00 0.00 C ATOM 491 CG GLU A 32 -1.166 4.809 -10.745 1.00 0.00 C ATOM 492 CD GLU A 32 -1.026 5.703 -11.962 1.00 0.00 C ATOM 493 OE1 GLU A 32 -1.638 6.792 -11.971 1.00 0.00 O ATOM 494 OE2 GLU A 32 -0.306 5.314 -12.905 1.00 0.00 O ATOM 0 H GLU A 32 -3.413 5.892 -12.267 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.501 4.202 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.389 3.217 -10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.571 3.526 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.126 5.420 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.320 4.124 -10.703 1.00 0.00 H new ATOM 501 N SER A 33 -3.160 7.121 -9.798 1.00 0.00 N ATOM 502 CA SER A 33 -2.851 8.196 -8.861 1.00 0.00 C ATOM 503 C SER A 33 -4.110 8.667 -8.140 1.00 0.00 C ATOM 504 O SER A 33 -4.036 9.294 -7.084 1.00 0.00 O ATOM 505 CB SER A 33 -2.201 9.370 -9.596 1.00 0.00 C ATOM 506 OG SER A 33 -0.926 9.012 -10.101 1.00 0.00 O ATOM 0 H SER A 33 -3.176 7.406 -10.777 1.00 0.00 H new ATOM 0 HA SER A 33 -2.152 7.809 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.844 9.691 -10.416 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.102 10.218 -8.918 1.00 0.00 H new ATOM 0 HG SER A 33 -1.024 8.286 -10.752 1.00 0.00 H new ATOM 512 N ARG A 34 -5.266 8.360 -8.720 1.00 0.00 N ATOM 513 CA ARG A 34 -6.542 8.752 -8.134 1.00 0.00 C ATOM 514 C ARG A 34 -7.032 7.701 -7.143 1.00 0.00 C ATOM 515 O ARG A 34 -7.457 8.029 -6.035 1.00 0.00 O ATOM 516 CB ARG A 34 -7.588 8.961 -9.231 1.00 0.00 C ATOM 517 CG ARG A 34 -7.375 10.228 -10.043 1.00 0.00 C ATOM 518 CD ARG A 34 -5.963 10.301 -10.602 1.00 0.00 C ATOM 519 NE ARG A 34 -5.060 11.027 -9.713 1.00 0.00 N ATOM 520 CZ ARG A 34 -5.230 12.299 -9.371 1.00 0.00 C ATOM 521 NH1 ARG A 34 -6.265 12.982 -9.841 1.00 0.00 N ATOM 522 NH2 ARG A 34 -4.365 12.891 -8.558 1.00 0.00 N ATOM 0 H ARG A 34 -5.345 7.841 -9.595 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.394 9.690 -7.598 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.574 8.103 -9.903 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.578 8.994 -8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.094 10.262 -10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.565 11.099 -9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.583 9.292 -10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.983 10.790 -11.576 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.254 10.530 -9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.932 12.530 -10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.394 13.959 -9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.568 12.369 -8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.497 13.868 -8.297 1.00 0.00 H new ATOM 536 N ARG A 35 -6.969 6.437 -7.549 1.00 0.00 N ATOM 537 CA ARG A 35 -7.408 5.338 -6.697 1.00 0.00 C ATOM 538 C ARG A 35 -6.857 5.493 -5.283 1.00 0.00 C ATOM 539 O ARG A 35 -7.559 5.248 -4.302 1.00 0.00 O ATOM 540 CB ARG A 35 -6.960 3.999 -7.286 1.00 0.00 C ATOM 541 CG ARG A 35 -6.857 2.885 -6.257 1.00 0.00 C ATOM 542 CD ARG A 35 -6.331 1.600 -6.877 1.00 0.00 C ATOM 543 NE ARG A 35 -6.349 0.488 -5.931 1.00 0.00 N ATOM 544 CZ ARG A 35 -6.232 -0.785 -6.291 1.00 0.00 C ATOM 545 NH1 ARG A 35 -6.089 -1.105 -7.569 1.00 0.00 N ATOM 546 NH2 ARG A 35 -6.257 -1.741 -5.371 1.00 0.00 N ATOM 0 H ARG A 35 -6.618 6.149 -8.462 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.497 5.361 -6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.663 3.700 -8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.990 4.129 -7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.197 3.196 -5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.837 2.703 -5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.934 1.345 -7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.312 1.759 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.457 0.700 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.069 -0.373 -8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.999 -2.083 -7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.366 -1.498 -4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.167 -2.718 -5.649 1.00 0.00 H new ATOM 560 N TRP A 36 -5.597 5.901 -5.186 1.00 0.00 N ATOM 561 CA TRP A 36 -4.951 6.088 -3.891 1.00 0.00 C ATOM 562 C TRP A 36 -5.637 7.193 -3.096 1.00 0.00 C ATOM 563 O TRP A 36 -5.784 7.093 -1.878 1.00 0.00 O ATOM 564 CB TRP A 36 -3.471 6.423 -4.080 1.00 0.00 C ATOM 565 CG TRP A 36 -2.780 5.526 -5.062 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.975 5.909 -6.097 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.835 4.096 -5.103 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.526 4.803 -6.778 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.038 3.679 -6.187 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.477 3.127 -4.327 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.870 2.336 -6.514 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.309 1.794 -4.653 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.511 1.409 -5.738 1.00 0.00 C ATOM 0 H TRP A 36 -5.002 6.109 -5.988 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.037 5.156 -3.332 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.380 7.456 -4.416 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.964 6.355 -3.117 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.728 6.931 -6.344 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.911 4.817 -7.592 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.093 3.414 -3.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.256 2.037 -7.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.801 1.037 -4.061 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.399 0.359 -5.967 1.00 0.00 H new ATOM 584 N GLN A 37 -6.055 8.246 -3.792 1.00 0.00 N ATOM 585 CA GLN A 37 -6.725 9.370 -3.149 1.00 0.00 C ATOM 586 C GLN A 37 -7.969 8.905 -2.399 1.00 0.00 C ATOM 587 O GLN A 37 -8.195 9.289 -1.251 1.00 0.00 O ATOM 588 CB GLN A 37 -7.107 10.426 -4.187 1.00 0.00 C ATOM 589 CG GLN A 37 -7.783 11.650 -3.591 1.00 0.00 C ATOM 590 CD GLN A 37 -7.250 11.998 -2.215 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.931 12.099 -2.099 1.00 0.00 O flip ATOM 592 NE2 GLN A 37 -8.015 12.175 -1.267 1.00 0.00 N flip ATOM 0 H GLN A 37 -5.941 8.344 -4.801 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.033 9.810 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.210 10.740 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.773 9.976 -4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.640 12.500 -4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.857 11.472 -3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.022 12.087 -1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.642 12.409 -0.347 1.00 0.00 H new ATOM 601 N LYS A 38 -8.774 8.075 -3.055 1.00 0.00 N ATOM 602 CA LYS A 38 -9.995 7.556 -2.451 1.00 0.00 C ATOM 603 C LYS A 38 -9.676 6.685 -1.240 1.00 0.00 C ATOM 604 O LYS A 38 -10.300 6.816 -0.187 1.00 0.00 O ATOM 605 CB LYS A 38 -10.793 6.749 -3.477 1.00 0.00 C ATOM 606 CG LYS A 38 -11.252 7.568 -4.671 1.00 0.00 C ATOM 607 CD LYS A 38 -11.725 6.679 -5.809 1.00 0.00 C ATOM 608 CE LYS A 38 -11.948 7.477 -7.084 1.00 0.00 C ATOM 609 NZ LYS A 38 -13.182 8.309 -7.009 1.00 0.00 N ATOM 0 H LYS A 38 -8.602 7.748 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.594 8.404 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.181 5.919 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.665 6.316 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.060 8.233 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.433 8.199 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.988 5.897 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.652 6.182 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.087 8.120 -7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.021 6.795 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.299 8.838 -7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.007 7.694 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.102 8.977 -6.216 1.00 0.00 H new ATOM 623 N ILE A 39 -8.700 5.796 -1.398 1.00 0.00 N ATOM 624 CA ILE A 39 -8.297 4.906 -0.316 1.00 0.00 C ATOM 625 C ILE A 39 -7.789 5.695 0.885 1.00 0.00 C ATOM 626 O ILE A 39 -8.271 5.521 2.004 1.00 0.00 O ATOM 627 CB ILE A 39 -7.201 3.925 -0.774 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.771 2.921 -1.777 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.603 3.204 0.424 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.729 2.336 -2.705 1.00 0.00 C ATOM 0 H ILE A 39 -8.175 5.673 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.182 4.340 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.410 4.491 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.256 2.111 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.541 3.412 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.830 2.514 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.165 3.933 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.385 2.647 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.204 1.633 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.260 3.137 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.971 1.816 -2.119 1.00 0.00 H new ATOM 642 N ALA A 40 -6.813 6.565 0.645 1.00 0.00 N ATOM 643 CA ALA A 40 -6.242 7.384 1.706 1.00 0.00 C ATOM 644 C ALA A 40 -7.335 8.029 2.551 1.00 0.00 C ATOM 645 O ALA A 40 -7.317 7.941 3.779 1.00 0.00 O ATOM 646 CB ALA A 40 -5.330 8.450 1.117 1.00 0.00 C ATOM 0 H ALA A 40 -6.402 6.720 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.653 6.735 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.910 9.055 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.522 7.972 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.903 9.088 0.445 1.00 0.00 H new ATOM 652 N ASP A 41 -8.285 8.677 1.886 1.00 0.00 N ATOM 653 CA ASP A 41 -9.388 9.337 2.576 1.00 0.00 C ATOM 654 C ASP A 41 -9.981 8.426 3.646 1.00 0.00 C ATOM 655 O ASP A 41 -10.157 8.835 4.794 1.00 0.00 O ATOM 656 CB ASP A 41 -10.471 9.745 1.577 1.00 0.00 C ATOM 657 CG ASP A 41 -11.327 10.888 2.086 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.761 11.850 2.646 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.564 10.821 1.925 1.00 0.00 O ATOM 0 H ASP A 41 -8.314 8.760 0.870 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.998 10.232 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.003 10.036 0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.107 8.886 1.364 1.00 0.00 H new ATOM 664 N GLU A 42 -10.289 7.192 3.262 1.00 0.00 N ATOM 665 CA GLU A 42 -10.865 6.225 4.189 1.00 0.00 C ATOM 666 C GLU A 42 -9.977 6.054 5.418 1.00 0.00 C ATOM 667 O GLU A 42 -10.450 6.119 6.553 1.00 0.00 O ATOM 668 CB GLU A 42 -11.061 4.875 3.495 1.00 0.00 C ATOM 669 CG GLU A 42 -12.382 4.758 2.754 1.00 0.00 C ATOM 670 CD GLU A 42 -13.523 4.333 3.657 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.796 5.049 4.644 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.144 3.286 3.378 1.00 0.00 O ATOM 0 H GLU A 42 -10.149 6.838 2.316 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.835 6.603 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.244 4.716 2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.000 4.081 4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.624 5.718 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.277 4.036 1.944 1.00 0.00 H new ATOM 679 N LEU A 43 -8.688 5.834 5.183 1.00 0.00 N ATOM 680 CA LEU A 43 -7.733 5.652 6.270 1.00 0.00 C ATOM 681 C LEU A 43 -7.683 6.888 7.163 1.00 0.00 C ATOM 682 O LEU A 43 -7.941 6.809 8.363 1.00 0.00 O ATOM 683 CB LEU A 43 -6.341 5.359 5.708 1.00 0.00 C ATOM 684 CG LEU A 43 -6.172 4.013 5.002 1.00 0.00 C ATOM 685 CD1 LEU A 43 -5.013 4.067 4.019 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.960 2.900 6.018 1.00 0.00 C ATOM 0 H LEU A 43 -8.280 5.777 4.250 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.061 4.804 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.081 6.150 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.623 5.410 6.526 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.084 3.800 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.908 3.100 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.206 4.836 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.093 4.303 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.842 1.950 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.064 3.107 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.822 2.845 6.682 1.00 0.00 H new ATOM 698 N GLY A 44 -7.350 8.029 6.568 1.00 0.00 N ATOM 699 CA GLY A 44 -7.275 9.266 7.324 1.00 0.00 C ATOM 700 C GLY A 44 -5.880 9.539 7.849 1.00 0.00 C ATOM 701 O GLY A 44 -5.480 10.694 7.996 1.00 0.00 O ATOM 0 H GLY A 44 -7.131 8.119 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.591 10.095 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.972 9.220 8.160 1.00 0.00 H new ATOM 705 N ASN A 45 -5.137 8.475 8.135 1.00 0.00 N ATOM 706 CA ASN A 45 -3.779 8.606 8.651 1.00 0.00 C ATOM 707 C ASN A 45 -2.773 8.723 7.509 1.00 0.00 C ATOM 708 O ASN A 45 -1.899 9.589 7.525 1.00 0.00 O ATOM 709 CB ASN A 45 -3.428 7.407 9.534 1.00 0.00 C ATOM 710 CG ASN A 45 -3.018 6.193 8.724 1.00 0.00 C ATOM 711 OD1 ASN A 45 -3.742 5.755 7.831 1.00 0.00 O ATOM 712 ND2 ASN A 45 -1.849 5.643 9.034 1.00 0.00 N ATOM 0 H ASN A 45 -5.452 7.512 8.018 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.730 9.515 9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.617 7.681 10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.287 7.153 10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.519 4.824 8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.281 6.040 9.783 1.00 0.00 H new ATOM 719 N ARG A 46 -2.904 7.844 6.521 1.00 0.00 N ATOM 720 CA ARG A 46 -2.007 7.848 5.371 1.00 0.00 C ATOM 721 C ARG A 46 -2.508 8.805 4.294 1.00 0.00 C ATOM 722 O ARG A 46 -3.532 9.468 4.463 1.00 0.00 O ATOM 723 CB ARG A 46 -1.877 6.437 4.795 1.00 0.00 C ATOM 724 CG ARG A 46 -0.967 5.529 5.606 1.00 0.00 C ATOM 725 CD ARG A 46 0.497 5.894 5.416 1.00 0.00 C ATOM 726 NE ARG A 46 1.296 5.591 6.601 1.00 0.00 N ATOM 727 CZ ARG A 46 2.620 5.492 6.589 1.00 0.00 C ATOM 728 NH1 ARG A 46 3.292 5.672 5.460 1.00 0.00 N ATOM 729 NH2 ARG A 46 3.276 5.214 7.708 1.00 0.00 N ATOM 0 H ARG A 46 -3.622 7.120 6.493 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.027 8.188 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.867 5.985 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.495 6.503 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.227 5.601 6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.126 4.493 5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.898 5.351 4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.579 6.956 5.186 1.00 0.00 H new ATOM 0 HE ARG A 46 0.810 5.448 7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.792 5.887 4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.309 5.595 5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.763 5.076 8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.293 5.138 7.697 1.00 0.00 H new ATOM 743 N THR A 47 -1.779 8.872 3.184 1.00 0.00 N ATOM 744 CA THR A 47 -2.147 9.749 2.079 1.00 0.00 C ATOM 745 C THR A 47 -1.954 9.052 0.737 1.00 0.00 C ATOM 746 O THR A 47 -1.183 8.099 0.627 1.00 0.00 O ATOM 747 CB THR A 47 -1.321 11.049 2.094 1.00 0.00 C ATOM 748 OG1 THR A 47 0.058 10.756 1.843 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.458 11.762 3.431 1.00 0.00 C ATOM 0 H THR A 47 -0.930 8.329 3.027 1.00 0.00 H new ATOM 0 HA THR A 47 -3.201 9.996 2.209 1.00 0.00 H new ATOM 0 HB THR A 47 -1.701 11.704 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.576 11.588 1.852 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.866 12.677 3.418 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.505 12.010 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.101 11.111 4.229 1.00 0.00 H new ATOM 757 N ALA A 48 -2.659 9.535 -0.281 1.00 0.00 N ATOM 758 CA ALA A 48 -2.562 8.960 -1.617 1.00 0.00 C ATOM 759 C ALA A 48 -1.150 8.461 -1.899 1.00 0.00 C ATOM 760 O ALA A 48 -0.942 7.282 -2.188 1.00 0.00 O ATOM 761 CB ALA A 48 -2.982 9.982 -2.663 1.00 0.00 C ATOM 0 H ALA A 48 -3.303 10.322 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.237 8.106 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.905 9.539 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.013 10.287 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.330 10.853 -2.603 1.00 0.00 H new ATOM 767 N LYS A 49 -0.180 9.365 -1.815 1.00 0.00 N ATOM 768 CA LYS A 49 1.215 9.017 -2.061 1.00 0.00 C ATOM 769 C LYS A 49 1.650 7.856 -1.173 1.00 0.00 C ATOM 770 O LYS A 49 1.876 6.746 -1.654 1.00 0.00 O ATOM 771 CB LYS A 49 2.116 10.229 -1.813 1.00 0.00 C ATOM 772 CG LYS A 49 2.346 11.079 -3.050 1.00 0.00 C ATOM 773 CD LYS A 49 3.600 10.654 -3.794 1.00 0.00 C ATOM 774 CE LYS A 49 3.292 9.607 -4.854 1.00 0.00 C ATOM 775 NZ LYS A 49 2.384 10.137 -5.908 1.00 0.00 N ATOM 0 H LYS A 49 -0.334 10.345 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 49 1.309 8.710 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.671 10.849 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.079 9.884 -1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.484 10.999 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.430 12.127 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.058 11.524 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.326 10.254 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.222 9.269 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.834 8.737 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.499 9.579 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.398 10.071 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.619 11.132 -6.101 1.00 0.00 H new ATOM 789 N GLN A 50 1.765 8.120 0.125 1.00 0.00 N ATOM 790 CA GLN A 50 2.173 7.096 1.079 1.00 0.00 C ATOM 791 C GLN A 50 1.545 5.749 0.735 1.00 0.00 C ATOM 792 O GLN A 50 2.187 4.705 0.851 1.00 0.00 O ATOM 793 CB GLN A 50 1.780 7.507 2.499 1.00 0.00 C ATOM 794 CG GLN A 50 2.678 8.579 3.093 1.00 0.00 C ATOM 795 CD GLN A 50 2.434 8.791 4.574 1.00 0.00 C ATOM 796 OE1 GLN A 50 3.227 8.364 5.414 1.00 0.00 O ATOM 797 NE2 GLN A 50 1.331 9.454 4.904 1.00 0.00 N ATOM 0 H GLN A 50 1.581 9.034 0.539 1.00 0.00 H new ATOM 0 HA GLN A 50 3.257 6.995 1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.752 7.869 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.804 6.628 3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.720 8.302 2.937 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.515 9.518 2.564 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.701 9.790 4.176 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.114 9.627 5.886 1.00 0.00 H new ATOM 806 N VAL A 51 0.286 5.781 0.310 1.00 0.00 N ATOM 807 CA VAL A 51 -0.429 4.563 -0.052 1.00 0.00 C ATOM 808 C VAL A 51 0.143 3.948 -1.324 1.00 0.00 C ATOM 809 O VAL A 51 0.324 2.734 -1.412 1.00 0.00 O ATOM 810 CB VAL A 51 -1.931 4.833 -0.257 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.653 3.559 -0.669 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.544 5.418 1.008 1.00 0.00 C ATOM 0 H VAL A 51 -0.260 6.637 0.208 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.303 3.865 0.775 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.045 5.561 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.713 3.771 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.231 3.187 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.533 2.805 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.606 5.603 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.420 4.715 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.046 6.356 1.254 1.00 0.00 H new ATOM 822 N ALA A 52 0.427 4.794 -2.309 1.00 0.00 N ATOM 823 CA ALA A 52 0.981 4.335 -3.576 1.00 0.00 C ATOM 824 C ALA A 52 2.275 3.558 -3.359 1.00 0.00 C ATOM 825 O ALA A 52 2.506 2.529 -3.995 1.00 0.00 O ATOM 826 CB ALA A 52 1.221 5.515 -4.506 1.00 0.00 C ATOM 0 H ALA A 52 0.282 5.802 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 52 0.258 3.664 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.635 5.157 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.277 6.027 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.923 6.208 -4.041 1.00 0.00 H new ATOM 832 N SER A 53 3.116 4.056 -2.459 1.00 0.00 N ATOM 833 CA SER A 53 4.389 3.410 -2.162 1.00 0.00 C ATOM 834 C SER A 53 4.171 2.098 -1.414 1.00 0.00 C ATOM 835 O SER A 53 4.869 1.113 -1.653 1.00 0.00 O ATOM 836 CB SER A 53 5.276 4.341 -1.333 1.00 0.00 C ATOM 837 OG SER A 53 6.638 3.962 -1.423 1.00 0.00 O ATOM 0 H SER A 53 2.939 4.905 -1.922 1.00 0.00 H new ATOM 0 HA SER A 53 4.887 3.191 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.157 5.367 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.957 4.319 -0.291 1.00 0.00 H new ATOM 0 HG SER A 53 7.184 4.573 -0.886 1.00 0.00 H new ATOM 843 N GLN A 54 3.198 2.095 -0.509 1.00 0.00 N ATOM 844 CA GLN A 54 2.889 0.904 0.275 1.00 0.00 C ATOM 845 C GLN A 54 2.337 -0.204 -0.615 1.00 0.00 C ATOM 846 O GLN A 54 2.520 -1.389 -0.335 1.00 0.00 O ATOM 847 CB GLN A 54 1.882 1.240 1.376 1.00 0.00 C ATOM 848 CG GLN A 54 1.916 0.273 2.547 1.00 0.00 C ATOM 849 CD GLN A 54 3.149 0.446 3.412 1.00 0.00 C ATOM 850 OE1 GLN A 54 4.161 0.989 2.968 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.071 -0.017 4.654 1.00 0.00 N ATOM 0 H GLN A 54 2.611 2.902 -0.300 1.00 0.00 H new ATOM 0 HA GLN A 54 3.813 0.551 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.079 2.248 1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.879 1.246 0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.025 0.417 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.882 -0.749 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.212 -0.460 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.870 0.071 5.282 1.00 0.00 H new ATOM 860 N VAL A 55 1.659 0.188 -1.689 1.00 0.00 N ATOM 861 CA VAL A 55 1.080 -0.773 -2.621 1.00 0.00 C ATOM 862 C VAL A 55 2.165 -1.595 -3.307 1.00 0.00 C ATOM 863 O VAL A 55 2.073 -2.820 -3.383 1.00 0.00 O ATOM 864 CB VAL A 55 0.228 -0.070 -3.694 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.213 -1.062 -4.760 1.00 0.00 C ATOM 866 CG2 VAL A 55 -0.975 0.611 -3.058 1.00 0.00 C ATOM 0 H VAL A 55 1.497 1.164 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 55 0.441 -1.436 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 55 0.838 0.695 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.814 -0.547 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.665 -1.499 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.806 -1.852 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.566 1.103 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.589 -0.134 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.634 1.353 -2.336 1.00 0.00 H new ATOM 876 N GLN A 56 3.192 -0.913 -3.803 1.00 0.00 N ATOM 877 CA GLN A 56 4.295 -1.581 -4.484 1.00 0.00 C ATOM 878 C GLN A 56 4.859 -2.710 -3.627 1.00 0.00 C ATOM 879 O GLN A 56 5.206 -3.776 -4.136 1.00 0.00 O ATOM 880 CB GLN A 56 5.400 -0.577 -4.817 1.00 0.00 C ATOM 881 CG GLN A 56 6.445 -0.437 -3.722 1.00 0.00 C ATOM 882 CD GLN A 56 7.471 -1.552 -3.749 1.00 0.00 C ATOM 883 OE1 GLN A 56 7.337 -2.553 -3.044 1.00 0.00 O ATOM 884 NE2 GLN A 56 8.505 -1.386 -4.565 1.00 0.00 N ATOM 0 H GLN A 56 3.283 0.101 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 56 3.912 -2.009 -5.410 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.892 -0.884 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.949 0.398 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.953 0.521 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.950 -0.428 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.577 -0.541 -5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.227 -2.104 -4.625 1.00 0.00 H new ATOM 893 N LYS A 57 4.947 -2.469 -2.323 1.00 0.00 N ATOM 894 CA LYS A 57 5.468 -3.465 -1.394 1.00 0.00 C ATOM 895 C LYS A 57 4.353 -4.377 -0.892 1.00 0.00 C ATOM 896 O LYS A 57 4.484 -5.017 0.152 1.00 0.00 O ATOM 897 CB LYS A 57 6.152 -2.779 -0.210 1.00 0.00 C ATOM 898 CG LYS A 57 7.615 -2.453 -0.458 1.00 0.00 C ATOM 899 CD LYS A 57 8.350 -2.167 0.841 1.00 0.00 C ATOM 900 CE LYS A 57 9.495 -1.188 0.629 1.00 0.00 C ATOM 901 NZ LYS A 57 10.238 -0.922 1.891 1.00 0.00 N ATOM 0 H LYS A 57 4.664 -1.592 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 57 6.199 -4.074 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.618 -1.858 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.075 -3.423 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.093 -3.287 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.689 -1.588 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.653 -1.760 1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.738 -3.098 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.180 -1.587 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.103 -0.251 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.010 -0.250 1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.590 -0.517 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.634 -1.812 2.255 1.00 0.00 H new ATOM 915 N TYR A 58 3.258 -4.432 -1.642 1.00 0.00 N ATOM 916 CA TYR A 58 2.119 -5.265 -1.272 1.00 0.00 C ATOM 917 C TYR A 58 1.811 -6.283 -2.366 1.00 0.00 C ATOM 918 O TYR A 58 1.191 -7.316 -2.112 1.00 0.00 O ATOM 919 CB TYR A 58 0.889 -4.395 -1.007 1.00 0.00 C ATOM 920 CG TYR A 58 0.754 -3.961 0.435 1.00 0.00 C ATOM 921 CD1 TYR A 58 1.862 -3.544 1.162 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.482 -3.968 1.070 1.00 0.00 C ATOM 923 CE1 TYR A 58 1.743 -3.147 2.480 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.610 -3.571 2.387 1.00 0.00 C ATOM 925 CZ TYR A 58 0.505 -3.162 3.088 1.00 0.00 C ATOM 926 OH TYR A 58 0.381 -2.767 4.400 1.00 0.00 O ATOM 0 H TYR A 58 3.135 -3.910 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 58 2.376 -5.805 -0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.937 -3.510 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.005 -4.947 -1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.833 -3.530 0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.357 -4.289 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.615 -2.827 3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.578 -3.581 2.865 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.557 -2.836 4.675 1.00 0.00 H new ATOM 936 N PHE A 59 2.248 -5.983 -3.584 1.00 0.00 N ATOM 937 CA PHE A 59 2.020 -6.870 -4.719 1.00 0.00 C ATOM 938 C PHE A 59 3.341 -7.286 -5.359 1.00 0.00 C ATOM 939 O PHE A 59 3.461 -8.384 -5.903 1.00 0.00 O ATOM 940 CB PHE A 59 1.130 -6.186 -5.758 1.00 0.00 C ATOM 941 CG PHE A 59 -0.270 -5.933 -5.275 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.498 -5.187 -4.130 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.358 -6.442 -5.966 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.785 -4.954 -3.684 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.647 -6.213 -5.525 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.861 -5.466 -4.382 1.00 0.00 C ATOM 0 H PHE A 59 2.762 -5.132 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 59 1.517 -7.765 -4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.584 -5.237 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.090 -6.805 -6.654 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.339 -4.783 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.196 -7.025 -6.861 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.949 -4.371 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.486 -6.617 -6.072 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.867 -5.283 -4.036 1.00 0.00 H new ATOM 956 N ILE A 60 4.329 -6.401 -5.290 1.00 0.00 N ATOM 957 CA ILE A 60 5.641 -6.675 -5.863 1.00 0.00 C ATOM 958 C ILE A 60 6.566 -7.317 -4.834 1.00 0.00 C ATOM 959 O ILE A 60 7.519 -8.012 -5.188 1.00 0.00 O ATOM 960 CB ILE A 60 6.301 -5.391 -6.399 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.330 -4.633 -7.305 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.582 -5.728 -7.149 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.770 -3.218 -7.613 1.00 0.00 C ATOM 0 H ILE A 60 4.246 -5.488 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 60 5.486 -7.366 -6.691 1.00 0.00 H new ATOM 0 HB ILE A 60 6.555 -4.750 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.215 -5.181 -8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.349 -4.605 -6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.037 -4.811 -7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.277 -6.230 -6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.351 -6.385 -7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.034 -2.741 -8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.857 -2.654 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.736 -3.239 -8.117 1.00 0.00 H new ATOM 975 N LYS A 61 6.277 -7.082 -3.559 1.00 0.00 N ATOM 976 CA LYS A 61 7.080 -7.640 -2.477 1.00 0.00 C ATOM 977 C LYS A 61 6.699 -9.092 -2.209 1.00 0.00 C ATOM 978 O LYS A 61 7.564 -9.963 -2.106 1.00 0.00 O ATOM 979 CB LYS A 61 6.901 -6.811 -1.202 1.00 0.00 C ATOM 980 CG LYS A 61 7.816 -7.237 -0.067 1.00 0.00 C ATOM 981 CD LYS A 61 7.606 -6.379 1.170 1.00 0.00 C ATOM 982 CE LYS A 61 8.699 -6.612 2.202 1.00 0.00 C ATOM 983 NZ LYS A 61 9.959 -5.903 1.844 1.00 0.00 N ATOM 0 H LYS A 61 5.492 -6.509 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 61 8.126 -7.608 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.085 -5.762 -1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.865 -6.888 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.630 -8.283 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.855 -7.165 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.591 -5.327 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.635 -6.605 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.355 -6.271 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.895 -7.681 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.487 -5.675 2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.540 -6.514 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.731 -5.024 1.337 1.00 0.00 H new ATOM 997 N LEU A 62 5.400 -9.347 -2.098 1.00 0.00 N ATOM 998 CA LEU A 62 4.904 -10.695 -1.844 1.00 0.00 C ATOM 999 C LEU A 62 5.188 -11.612 -3.030 1.00 0.00 C ATOM 1000 O LEU A 62 4.918 -12.813 -2.979 1.00 0.00 O ATOM 1001 CB LEU A 62 3.402 -10.662 -1.559 1.00 0.00 C ATOM 1002 CG LEU A 62 2.484 -10.817 -2.772 1.00 0.00 C ATOM 1003 CD1 LEU A 62 3.060 -10.084 -3.974 1.00 0.00 C ATOM 1004 CD2 LEU A 62 2.271 -12.288 -3.095 1.00 0.00 C ATOM 0 H LEU A 62 4.671 -8.638 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 62 5.425 -11.088 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.170 -11.456 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.166 -9.717 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 62 1.517 -10.375 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.393 -10.205 -4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.161 -9.024 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.039 -10.497 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.615 -12.379 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.231 -12.755 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.814 -12.786 -2.240 1.00 0.00 H new ATOM 1016 N THR A 63 5.736 -11.039 -4.097 1.00 0.00 N ATOM 1017 CA THR A 63 6.058 -11.805 -5.295 1.00 0.00 C ATOM 1018 C THR A 63 6.881 -13.041 -4.952 1.00 0.00 C ATOM 1019 O THR A 63 7.307 -13.220 -3.811 1.00 0.00 O ATOM 1020 CB THR A 63 6.834 -10.951 -6.315 1.00 0.00 C ATOM 1021 OG1 THR A 63 6.874 -11.617 -7.582 1.00 0.00 O ATOM 1022 CG2 THR A 63 8.252 -10.686 -5.831 1.00 0.00 C ATOM 0 H THR A 63 5.966 -10.047 -4.156 1.00 0.00 H new ATOM 0 HA THR A 63 5.111 -12.114 -5.737 1.00 0.00 H new ATOM 0 HB THR A 63 6.319 -9.996 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.368 -11.067 -8.225 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.781 -10.081 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.218 -10.153 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.774 -11.634 -5.698 1.00 0.00 H new ATOM 1030 N LYS A 64 7.102 -13.893 -5.948 1.00 0.00 N ATOM 1031 CA LYS A 64 7.876 -15.113 -5.754 1.00 0.00 C ATOM 1032 C LYS A 64 9.034 -15.186 -6.745 1.00 0.00 C ATOM 1033 O LYS A 64 8.976 -15.925 -7.728 1.00 0.00 O ATOM 1034 CB LYS A 64 6.978 -16.342 -5.911 1.00 0.00 C ATOM 1035 CG LYS A 64 6.001 -16.237 -7.069 1.00 0.00 C ATOM 1036 CD LYS A 64 5.302 -17.561 -7.330 1.00 0.00 C ATOM 1037 CE LYS A 64 6.237 -18.566 -7.985 1.00 0.00 C ATOM 1038 NZ LYS A 64 5.545 -19.847 -8.297 1.00 0.00 N ATOM 0 H LYS A 64 6.756 -13.760 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 64 8.286 -15.097 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.604 -17.223 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.419 -16.494 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.259 -15.469 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.532 -15.922 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.929 -17.968 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.436 -17.396 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.643 -18.140 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.081 -18.761 -7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.216 -20.505 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.180 -20.267 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.755 -19.665 -8.948 1.00 0.00 H new ATOM 1052 N ALA A 65 10.084 -14.417 -6.479 1.00 0.00 N ATOM 1053 CA ALA A 65 11.256 -14.398 -7.345 1.00 0.00 C ATOM 1054 C ALA A 65 12.540 -14.553 -6.537 1.00 0.00 C ATOM 1055 O ALA A 65 12.500 -14.768 -5.326 1.00 0.00 O ATOM 1056 CB ALA A 65 11.293 -13.110 -8.155 1.00 0.00 C ATOM 0 H ALA A 65 10.147 -13.799 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 65 11.184 -15.244 -8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.174 -13.109 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.395 -13.041 -8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.336 -12.256 -7.479 1.00 0.00 H new ATOM 1062 N GLY A 66 13.678 -14.443 -7.215 1.00 0.00 N ATOM 1063 CA GLY A 66 14.958 -14.575 -6.542 1.00 0.00 C ATOM 1064 C GLY A 66 14.962 -13.927 -5.172 1.00 0.00 C ATOM 1065 O GLY A 66 15.745 -14.307 -4.301 1.00 0.00 O ATOM 0 H GLY A 66 13.737 -14.265 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.205 -15.632 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.737 -14.123 -7.157 1.00 0.00 H new ATOM 1069 N ILE A 67 14.087 -12.945 -4.981 1.00 0.00 N ATOM 1070 CA ILE A 67 13.995 -12.243 -3.707 1.00 0.00 C ATOM 1071 C ILE A 67 14.294 -13.178 -2.541 1.00 0.00 C ATOM 1072 O ILE A 67 13.777 -14.292 -2.457 1.00 0.00 O ATOM 1073 CB ILE A 67 12.600 -11.622 -3.507 1.00 0.00 C ATOM 1074 CG1 ILE A 67 12.464 -10.341 -4.333 1.00 0.00 C ATOM 1075 CG2 ILE A 67 12.353 -11.337 -2.033 1.00 0.00 C ATOM 1076 CD1 ILE A 67 11.031 -9.973 -4.646 1.00 0.00 C ATOM 0 H ILE A 67 13.432 -12.618 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 67 14.739 -11.447 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 67 11.849 -12.334 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.932 -9.518 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.012 -10.461 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.363 -10.898 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.412 -12.267 -1.468 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.107 -10.641 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.011 -9.055 -5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.564 -10.778 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.483 -9.820 -3.716 1.00 0.00 H new ATOM 1088 N PRO A 68 15.149 -12.716 -1.616 1.00 0.00 N ATOM 1089 CA PRO A 68 15.535 -13.494 -0.435 1.00 0.00 C ATOM 1090 C PRO A 68 14.389 -13.647 0.559 1.00 0.00 C ATOM 1091 O PRO A 68 13.560 -12.749 0.709 1.00 0.00 O ATOM 1092 CB PRO A 68 16.669 -12.668 0.178 1.00 0.00 C ATOM 1093 CG PRO A 68 16.416 -11.275 -0.284 1.00 0.00 C ATOM 1094 CD PRO A 68 15.803 -11.397 -1.651 1.00 0.00 C ATOM 0 HA PRO A 68 15.823 -14.513 -0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 68 16.661 -12.732 1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.643 -13.025 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 68 15.746 -10.753 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 68 17.342 -10.702 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 68 15.086 -10.598 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.557 -11.343 -2.436 1.00 0.00 H new ATOM 1102 N VAL A 69 14.348 -14.790 1.236 1.00 0.00 N ATOM 1103 CA VAL A 69 13.304 -15.060 2.218 1.00 0.00 C ATOM 1104 C VAL A 69 13.558 -14.298 3.514 1.00 0.00 C ATOM 1105 O VAL A 69 14.691 -14.220 3.988 1.00 0.00 O ATOM 1106 CB VAL A 69 13.203 -16.564 2.531 1.00 0.00 C ATOM 1107 CG1 VAL A 69 14.520 -17.083 3.087 1.00 0.00 C ATOM 1108 CG2 VAL A 69 12.063 -16.831 3.502 1.00 0.00 C ATOM 0 H VAL A 69 15.026 -15.544 1.123 1.00 0.00 H new ATOM 0 HA VAL A 69 12.364 -14.724 1.781 1.00 0.00 H new ATOM 0 HB VAL A 69 12.992 -17.097 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.430 -18.148 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 69 15.311 -16.927 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.764 -16.547 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.006 -17.899 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.241 -16.288 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.124 -16.498 3.061 1.00 0.00 H new ATOM 1118 N SER A 70 12.495 -13.737 4.082 1.00 0.00 N ATOM 1119 CA SER A 70 12.603 -12.978 5.322 1.00 0.00 C ATOM 1120 C SER A 70 11.809 -13.648 6.440 1.00 0.00 C ATOM 1121 O SER A 70 11.089 -14.618 6.209 1.00 0.00 O ATOM 1122 CB SER A 70 12.104 -11.547 5.114 1.00 0.00 C ATOM 1123 OG SER A 70 12.855 -10.886 4.109 1.00 0.00 O ATOM 0 H SER A 70 11.550 -13.794 3.703 1.00 0.00 H new ATOM 0 HA SER A 70 13.653 -12.950 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.051 -11.563 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.177 -10.993 6.050 1.00 0.00 H new ATOM 0 HG SER A 70 12.516 -9.974 3.994 1.00 0.00 H new ATOM 1129 N GLY A 71 11.946 -13.120 7.653 1.00 0.00 N ATOM 1130 CA GLY A 71 11.236 -13.679 8.789 1.00 0.00 C ATOM 1131 C GLY A 71 10.558 -12.615 9.629 1.00 0.00 C ATOM 1132 O GLY A 71 10.965 -12.330 10.755 1.00 0.00 O ATOM 0 H GLY A 71 12.535 -12.316 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.488 -14.388 8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.935 -14.238 9.411 1.00 0.00 H new ATOM 1136 N PRO A 72 9.498 -12.006 9.076 1.00 0.00 N ATOM 1137 CA PRO A 72 8.740 -10.957 9.764 1.00 0.00 C ATOM 1138 C PRO A 72 7.938 -11.499 10.943 1.00 0.00 C ATOM 1139 O PRO A 72 6.914 -12.157 10.759 1.00 0.00 O ATOM 1140 CB PRO A 72 7.801 -10.426 8.678 1.00 0.00 C ATOM 1141 CG PRO A 72 7.645 -11.561 7.725 1.00 0.00 C ATOM 1142 CD PRO A 72 8.957 -12.296 7.737 1.00 0.00 C ATOM 0 HA PRO A 72 9.394 -10.196 10.191 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.841 -10.126 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.221 -9.550 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.828 -12.216 8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.409 -11.200 6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.820 -13.366 7.582 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.623 -11.943 6.949 1.00 0.00 H new ATOM 1150 N SER A 73 8.410 -11.219 12.153 1.00 0.00 N ATOM 1151 CA SER A 73 7.738 -11.681 13.362 1.00 0.00 C ATOM 1152 C SER A 73 7.495 -13.187 13.306 1.00 0.00 C ATOM 1153 O SER A 73 6.426 -13.668 13.680 1.00 0.00 O ATOM 1154 CB SER A 73 6.410 -10.945 13.546 1.00 0.00 C ATOM 1155 OG SER A 73 6.619 -9.556 13.735 1.00 0.00 O ATOM 0 H SER A 73 9.256 -10.674 12.323 1.00 0.00 H new ATOM 0 HA SER A 73 8.385 -11.466 14.213 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.778 -11.105 12.673 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.879 -11.356 14.404 1.00 0.00 H new ATOM 0 HG SER A 73 5.755 -9.108 13.849 1.00 0.00 H new ATOM 1161 N SER A 74 8.496 -13.924 12.835 1.00 0.00 N ATOM 1162 CA SER A 74 8.390 -15.374 12.725 1.00 0.00 C ATOM 1163 C SER A 74 9.304 -16.063 13.734 1.00 0.00 C ATOM 1164 O SER A 74 8.869 -16.927 14.495 1.00 0.00 O ATOM 1165 CB SER A 74 8.745 -15.827 11.307 1.00 0.00 C ATOM 1166 OG SER A 74 7.644 -15.664 10.430 1.00 0.00 O ATOM 0 H SER A 74 9.389 -13.541 12.524 1.00 0.00 H new ATOM 0 HA SER A 74 7.359 -15.656 12.942 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.595 -15.252 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.051 -16.873 11.322 1.00 0.00 H new ATOM 0 HG SER A 74 7.896 -15.959 9.530 1.00 0.00 H new ATOM 1172 N GLY A 75 10.576 -15.674 13.735 1.00 0.00 N ATOM 1173 CA GLY A 75 11.532 -16.263 14.653 1.00 0.00 C ATOM 1174 C GLY A 75 12.942 -15.755 14.427 1.00 0.00 C ATOM 1175 O GLY A 75 13.596 -15.284 15.357 1.00 0.00 O ATOM 0 H GLY A 75 10.961 -14.961 13.116 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.230 -16.044 15.677 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.518 -17.347 14.542 1.00 0.00 H new TER 1179 GLY A 75