USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.648 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 TRP N :NH3+ 151:sc= 0.00474 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.752 K(o=-0.75,f=-2.4!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=-0.023) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 22 THR OG1 : rot -10:sc= 0.883 USER MOD Single : A 24 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.8) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -0.155 (180deg=-0.66) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 42 LYS NZ :NH3+ 135:sc= -0.0238 (180deg=-0.213) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0445) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A -1 47.252 15.080 17.788 1.00 0.00 N ATOM 2 CA TRP A -1 47.220 14.012 16.755 1.00 0.00 C ATOM 3 C TRP A -1 46.370 14.436 15.555 1.00 0.00 C ATOM 4 O TRP A -1 45.324 15.066 15.714 1.00 0.00 O ATOM 5 CB TRP A -1 46.667 12.737 17.410 1.00 0.00 C ATOM 6 CG TRP A -1 46.676 11.519 16.528 1.00 0.00 C ATOM 7 CD1 TRP A -1 45.751 10.516 16.530 1.00 0.00 C ATOM 8 CD2 TRP A -1 47.647 11.160 15.531 1.00 0.00 C ATOM 9 NE1 TRP A -1 46.075 9.567 15.593 1.00 0.00 N ATOM 10 CE2 TRP A -1 47.233 9.936 14.968 1.00 0.00 C ATOM 11 CE3 TRP A -1 48.820 11.750 15.052 1.00 0.00 C ATOM 12 CZ2 TRP A -1 47.946 9.297 13.958 1.00 0.00 C ATOM 13 CZ3 TRP A -1 49.523 11.113 14.049 1.00 0.00 C ATOM 14 CH2 TRP A -1 49.085 9.901 13.510 1.00 0.00 C ATOM 0 H1 TRP A -1 47.378 14.651 18.727 1.00 0.00 H new ATOM 0 H2 TRP A -1 48.043 15.727 17.594 1.00 0.00 H new ATOM 0 H3 TRP A -1 46.358 15.611 17.767 1.00 0.00 H new ATOM 0 HA TRP A -1 48.225 13.826 16.376 1.00 0.00 H new ATOM 0 HB2 TRP A -1 47.250 12.524 18.306 1.00 0.00 H new ATOM 0 HB3 TRP A -1 45.643 12.926 17.733 1.00 0.00 H new ATOM 0 HD1 TRP A -1 44.887 10.475 17.177 1.00 0.00 H new ATOM 0 HE1 TRP A -1 45.538 8.723 15.395 1.00 0.00 H new ATOM 0 HE3 TRP A -1 49.170 12.687 15.459 1.00 0.00 H new ATOM 0 HZ2 TRP A -1 47.610 8.358 13.544 1.00 0.00 H new ATOM 0 HZ3 TRP A -1 50.431 11.561 13.673 1.00 0.00 H new ATOM 0 HH2 TRP A -1 49.659 9.433 12.724 1.00 0.00 H new ATOM 25 N LEU A 1 46.840 14.101 14.355 1.00 0.00 N ATOM 26 CA LEU A 1 46.143 14.458 13.120 1.00 0.00 C ATOM 27 C LEU A 1 44.876 13.629 12.917 1.00 0.00 C ATOM 28 O LEU A 1 44.187 13.776 11.907 1.00 0.00 O ATOM 29 CB LEU A 1 47.082 14.270 11.923 1.00 0.00 C ATOM 30 CG LEU A 1 46.991 12.903 11.234 1.00 0.00 C ATOM 31 CD1 LEU A 1 47.719 12.922 9.900 1.00 0.00 C ATOM 32 CD2 LEU A 1 47.562 11.817 12.132 1.00 0.00 C ATOM 0 H LEU A 1 47.705 13.580 14.211 1.00 0.00 H new ATOM 0 HA LEU A 1 45.844 15.503 13.200 1.00 0.00 H new ATOM 0 HB2 LEU A 1 46.868 15.045 11.187 1.00 0.00 H new ATOM 0 HB3 LEU A 1 48.108 14.423 12.258 1.00 0.00 H new ATOM 0 HG LEU A 1 45.939 12.685 11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 1 47.641 11.942 9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 1 47.269 13.673 9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 1 48.769 13.164 10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 1 47.490 10.853 11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 1 48.608 12.036 12.348 1.00 0.00 H new ATOM 0 HD23 LEU A 1 46.998 11.782 13.064 1.00 0.00 H new ATOM 44 N ILE A 2 44.574 12.760 13.873 1.00 0.00 N ATOM 45 CA ILE A 2 43.391 11.915 13.788 1.00 0.00 C ATOM 46 C ILE A 2 42.335 12.350 14.800 1.00 0.00 C ATOM 47 O ILE A 2 42.642 12.588 15.968 1.00 0.00 O ATOM 48 CB ILE A 2 43.754 10.441 14.028 1.00 0.00 C ATOM 49 CG1 ILE A 2 44.930 10.039 13.141 1.00 0.00 C ATOM 50 CG2 ILE A 2 42.555 9.543 13.769 1.00 0.00 C ATOM 51 CD1 ILE A 2 44.631 10.115 11.658 1.00 0.00 C ATOM 0 H ILE A 2 45.132 12.622 14.716 1.00 0.00 H new ATOM 0 HA ILE A 2 42.983 12.022 12.783 1.00 0.00 H new ATOM 0 HB ILE A 2 44.047 10.320 15.071 1.00 0.00 H new ATOM 0 HG12 ILE A 2 45.779 10.685 13.365 1.00 0.00 H new ATOM 0 HG13 ILE A 2 45.230 9.021 13.390 1.00 0.00 H new ATOM 0 HG21 ILE A 2 42.834 8.504 13.945 1.00 0.00 H new ATOM 0 HG22 ILE A 2 41.742 9.819 14.440 1.00 0.00 H new ATOM 0 HG23 ILE A 2 42.228 9.661 12.736 1.00 0.00 H new ATOM 0 HD11 ILE A 2 45.514 9.815 11.093 1.00 0.00 H new ATOM 0 HD12 ILE A 2 43.803 9.448 11.419 1.00 0.00 H new ATOM 0 HD13 ILE A 2 44.361 11.137 11.393 1.00 0.00 H new ATOM 63 N THR A 3 41.091 12.462 14.341 1.00 0.00 N ATOM 64 CA THR A 3 39.989 12.883 15.202 1.00 0.00 C ATOM 65 C THR A 3 39.135 11.695 15.639 1.00 0.00 C ATOM 66 O THR A 3 37.962 11.854 15.973 1.00 0.00 O ATOM 67 CB THR A 3 39.120 13.914 14.481 1.00 0.00 C ATOM 68 OG1 THR A 3 38.479 13.335 13.359 1.00 0.00 O ATOM 69 CG2 THR A 3 39.899 15.114 13.994 1.00 0.00 C ATOM 0 H THR A 3 40.821 12.267 13.377 1.00 0.00 H new ATOM 0 HA THR A 3 40.419 13.335 16.096 1.00 0.00 H new ATOM 0 HB THR A 3 38.393 14.247 15.222 1.00 0.00 H new ATOM 0 HG1 THR A 3 37.927 14.011 12.913 1.00 0.00 H new ATOM 0 HG21 THR A 3 39.224 15.807 13.492 1.00 0.00 H new ATOM 0 HG22 THR A 3 40.366 15.614 14.843 1.00 0.00 H new ATOM 0 HG23 THR A 3 40.670 14.788 13.296 1.00 0.00 H new ATOM 77 N GLY A 4 39.727 10.506 15.631 1.00 0.00 N ATOM 78 CA GLY A 4 38.999 9.314 16.029 1.00 0.00 C ATOM 79 C GLY A 4 38.266 8.672 14.868 1.00 0.00 C ATOM 80 O GLY A 4 37.327 7.901 15.065 1.00 0.00 O ATOM 0 H GLY A 4 40.696 10.346 15.357 1.00 0.00 H new ATOM 0 HA2 GLY A 4 39.694 8.593 16.460 1.00 0.00 H new ATOM 0 HA3 GLY A 4 38.283 9.572 16.809 1.00 0.00 H new ATOM 84 N THR A 5 38.696 8.998 13.656 1.00 0.00 N ATOM 85 CA THR A 5 38.081 8.460 12.450 1.00 0.00 C ATOM 86 C THR A 5 38.754 7.159 12.024 1.00 0.00 C ATOM 87 O THR A 5 38.502 6.648 10.932 1.00 0.00 O ATOM 88 CB THR A 5 38.156 9.483 11.318 1.00 0.00 C ATOM 89 OG1 THR A 5 39.503 9.738 10.960 1.00 0.00 O ATOM 90 CG2 THR A 5 37.518 10.808 11.672 1.00 0.00 C ATOM 0 H THR A 5 39.473 9.636 13.482 1.00 0.00 H new ATOM 0 HA THR A 5 37.035 8.247 12.671 1.00 0.00 H new ATOM 0 HB THR A 5 37.605 9.040 10.489 1.00 0.00 H new ATOM 0 HG1 THR A 5 39.530 10.394 10.233 1.00 0.00 H new ATOM 0 HG21 THR A 5 37.604 11.491 10.827 1.00 0.00 H new ATOM 0 HG22 THR A 5 36.465 10.653 11.908 1.00 0.00 H new ATOM 0 HG23 THR A 5 38.024 11.236 12.537 1.00 0.00 H new ATOM 98 N GLU A 6 39.612 6.626 12.889 1.00 0.00 N ATOM 99 CA GLU A 6 40.319 5.384 12.597 1.00 0.00 C ATOM 100 C GLU A 6 39.336 4.267 12.261 1.00 0.00 C ATOM 101 O GLU A 6 38.254 4.185 12.842 1.00 0.00 O ATOM 102 CB GLU A 6 41.186 4.973 13.788 1.00 0.00 C ATOM 103 CG GLU A 6 42.280 5.974 14.118 1.00 0.00 C ATOM 104 CD GLU A 6 43.162 5.515 15.263 1.00 0.00 C ATOM 105 OE1 GLU A 6 42.826 4.494 15.898 1.00 0.00 O ATOM 106 OE2 GLU A 6 44.188 6.178 15.525 1.00 0.00 O ATOM 0 H GLU A 6 39.834 7.035 13.797 1.00 0.00 H new ATOM 0 HA GLU A 6 40.960 5.554 11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 6 40.549 4.842 14.663 1.00 0.00 H new ATOM 0 HB3 GLU A 6 41.642 4.005 13.578 1.00 0.00 H new ATOM 0 HG2 GLU A 6 42.895 6.139 13.234 1.00 0.00 H new ATOM 0 HG3 GLU A 6 41.826 6.931 14.374 1.00 0.00 H new ATOM 113 N ALA A 7 39.718 3.411 11.320 1.00 0.00 N ATOM 114 CA ALA A 7 38.866 2.302 10.909 1.00 0.00 C ATOM 115 C ALA A 7 39.229 1.021 11.643 1.00 0.00 C ATOM 116 O ALA A 7 40.262 0.409 11.371 1.00 0.00 O ATOM 117 CB ALA A 7 38.965 2.083 9.408 1.00 0.00 C ATOM 0 H ALA A 7 40.610 3.464 10.828 1.00 0.00 H new ATOM 0 HA ALA A 7 37.839 2.563 11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 7 38.323 1.251 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 7 38.647 2.986 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 7 39.997 1.854 9.141 1.00 0.00 H new ATOM 123 N SER A 8 38.360 0.602 12.553 1.00 0.00 N ATOM 124 CA SER A 8 38.583 -0.628 13.296 1.00 0.00 C ATOM 125 C SER A 8 38.246 -1.824 12.416 1.00 0.00 C ATOM 126 O SER A 8 37.658 -1.664 11.346 1.00 0.00 O ATOM 127 CB SER A 8 37.750 -0.653 14.578 1.00 0.00 C ATOM 128 OG SER A 8 36.364 -0.605 14.290 1.00 0.00 O ATOM 0 H SER A 8 37.499 1.094 12.793 1.00 0.00 H new ATOM 0 HA SER A 8 39.634 -0.678 13.582 1.00 0.00 H new ATOM 0 HB2 SER A 8 37.975 -1.557 15.144 1.00 0.00 H new ATOM 0 HB3 SER A 8 38.023 0.193 15.208 1.00 0.00 H new ATOM 0 HG SER A 8 35.855 -0.624 15.127 1.00 0.00 H new ATOM 134 N CYS A 9 38.630 -3.014 12.849 1.00 0.00 N ATOM 135 CA CYS A 9 38.371 -4.215 12.067 1.00 0.00 C ATOM 136 C CYS A 9 37.485 -5.199 12.818 1.00 0.00 C ATOM 137 O CYS A 9 36.887 -4.874 13.844 1.00 0.00 O ATOM 138 CB CYS A 9 39.690 -4.899 11.707 1.00 0.00 C ATOM 139 SG CYS A 9 40.212 -6.181 12.894 1.00 0.00 S ATOM 0 H CYS A 9 39.118 -3.175 13.730 1.00 0.00 H new ATOM 0 HA CYS A 9 37.848 -3.908 11.161 1.00 0.00 H new ATOM 0 HB2 CYS A 9 39.595 -5.350 10.719 1.00 0.00 H new ATOM 0 HB3 CYS A 9 40.472 -4.143 11.638 1.00 0.00 H new ATOM 144 N GLU A 10 37.435 -6.417 12.292 1.00 0.00 N ATOM 145 CA GLU A 10 36.659 -7.489 12.890 1.00 0.00 C ATOM 146 C GLU A 10 37.583 -8.625 13.328 1.00 0.00 C ATOM 147 O GLU A 10 37.241 -9.410 14.211 1.00 0.00 O ATOM 148 CB GLU A 10 35.621 -8.004 11.894 1.00 0.00 C ATOM 149 CG GLU A 10 34.690 -6.919 11.381 1.00 0.00 C ATOM 150 CD GLU A 10 33.585 -7.460 10.496 1.00 0.00 C ATOM 151 OE1 GLU A 10 33.581 -8.680 10.229 1.00 0.00 O ATOM 152 OE2 GLU A 10 32.721 -6.663 10.072 1.00 0.00 O ATOM 0 H GLU A 10 37.930 -6.686 11.442 1.00 0.00 H new ATOM 0 HA GLU A 10 36.140 -7.103 13.767 1.00 0.00 H new ATOM 0 HB2 GLU A 10 36.135 -8.462 11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 10 35.029 -8.786 12.369 1.00 0.00 H new ATOM 0 HG2 GLU A 10 34.247 -6.397 12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 10 35.270 -6.184 10.822 1.00 0.00 H new ATOM 159 N ASN A 11 38.752 -8.708 12.691 1.00 0.00 N ATOM 160 CA ASN A 11 39.725 -9.753 13.007 1.00 0.00 C ATOM 161 C ASN A 11 41.073 -9.155 13.451 1.00 0.00 C ATOM 162 O ASN A 11 41.118 -8.343 14.374 1.00 0.00 O ATOM 163 CB ASN A 11 39.905 -10.670 11.792 1.00 0.00 C ATOM 164 CG ASN A 11 40.532 -12.000 12.159 1.00 0.00 C ATOM 165 OD1 ASN A 11 40.580 -12.374 13.330 1.00 0.00 O ATOM 166 ND2 ASN A 11 41.018 -12.723 11.156 1.00 0.00 N ATOM 0 H ASN A 11 39.047 -8.066 11.955 1.00 0.00 H new ATOM 0 HA ASN A 11 39.345 -10.339 13.844 1.00 0.00 H new ATOM 0 HB2 ASN A 11 38.935 -10.845 11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 11 40.529 -10.169 11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 11 41.452 -13.627 11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 11 40.957 -12.374 10.199 1.00 0.00 H new ATOM 173 N GLU A 12 42.167 -9.565 12.798 1.00 0.00 N ATOM 174 CA GLU A 12 43.507 -9.078 13.132 1.00 0.00 C ATOM 175 C GLU A 12 44.424 -9.205 11.926 1.00 0.00 C ATOM 176 O GLU A 12 44.703 -10.309 11.457 1.00 0.00 O ATOM 177 CB GLU A 12 44.090 -9.863 14.308 1.00 0.00 C ATOM 178 CG GLU A 12 45.453 -9.359 14.748 1.00 0.00 C ATOM 179 CD GLU A 12 46.073 -10.221 15.829 1.00 0.00 C ATOM 180 OE1 GLU A 12 45.418 -11.189 16.264 1.00 0.00 O ATOM 181 OE2 GLU A 12 47.217 -9.929 16.235 1.00 0.00 O ATOM 0 H GLU A 12 42.148 -10.237 12.031 1.00 0.00 H new ATOM 0 HA GLU A 12 43.429 -8.029 13.417 1.00 0.00 H new ATOM 0 HB2 GLU A 12 43.400 -9.808 15.150 1.00 0.00 H new ATOM 0 HB3 GLU A 12 44.171 -10.914 14.030 1.00 0.00 H new ATOM 0 HG2 GLU A 12 46.120 -9.328 13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 12 45.357 -8.337 15.114 1.00 0.00 H new ATOM 188 N GLY A 13 44.881 -8.069 11.421 1.00 0.00 N ATOM 189 CA GLY A 13 45.750 -8.076 10.265 1.00 0.00 C ATOM 190 C GLY A 13 45.091 -8.744 9.067 1.00 0.00 C ATOM 191 O GLY A 13 45.747 -9.462 8.311 1.00 0.00 O ATOM 0 H GLY A 13 44.665 -7.143 11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 13 46.020 -7.052 10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 13 46.675 -8.598 10.509 1.00 0.00 H new ATOM 195 N GLU A 14 43.784 -8.535 8.919 1.00 0.00 N ATOM 196 CA GLU A 14 43.019 -9.149 7.836 1.00 0.00 C ATOM 197 C GLU A 14 42.652 -8.169 6.748 1.00 0.00 C ATOM 198 O GLU A 14 41.691 -8.380 6.014 1.00 0.00 O ATOM 199 CB GLU A 14 41.754 -9.794 8.391 1.00 0.00 C ATOM 200 CG GLU A 14 40.623 -8.804 8.605 1.00 0.00 C ATOM 201 CD GLU A 14 39.370 -9.458 9.157 1.00 0.00 C ATOM 202 OE1 GLU A 14 39.265 -10.701 9.078 1.00 0.00 O ATOM 203 OE2 GLU A 14 38.494 -8.728 9.663 1.00 0.00 O ATOM 0 H GLU A 14 43.231 -7.943 9.538 1.00 0.00 H new ATOM 0 HA GLU A 14 43.662 -9.905 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 14 41.421 -10.574 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 14 41.987 -10.280 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 14 40.953 -8.024 9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 14 40.387 -8.317 7.659 1.00 0.00 H new ATOM 210 N VAL A 15 43.443 -7.132 6.628 1.00 0.00 N ATOM 211 CA VAL A 15 43.247 -6.138 5.602 1.00 0.00 C ATOM 212 C VAL A 15 41.792 -5.718 5.472 1.00 0.00 C ATOM 213 O VAL A 15 40.945 -6.469 4.988 1.00 0.00 O ATOM 214 CB VAL A 15 43.772 -6.669 4.275 1.00 0.00 C ATOM 215 CG1 VAL A 15 43.146 -7.996 3.957 1.00 0.00 C ATOM 216 CG2 VAL A 15 43.539 -5.659 3.161 1.00 0.00 C ATOM 0 H VAL A 15 44.240 -6.953 7.238 1.00 0.00 H new ATOM 0 HA VAL A 15 43.805 -5.247 5.889 1.00 0.00 H new ATOM 0 HB VAL A 15 44.848 -6.820 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 15 43.532 -8.362 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 15 43.387 -8.710 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 15 42.064 -7.881 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 15 43.922 -6.059 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 15 42.471 -5.464 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 15 44.057 -4.730 3.398 1.00 0.00 H new ATOM 226 N LEU A 16 41.511 -4.504 5.917 1.00 0.00 N ATOM 227 CA LEU A 16 40.163 -3.973 5.865 1.00 0.00 C ATOM 228 C LEU A 16 40.050 -2.910 4.787 1.00 0.00 C ATOM 229 O LEU A 16 40.745 -1.895 4.817 1.00 0.00 O ATOM 230 CB LEU A 16 39.769 -3.397 7.226 1.00 0.00 C ATOM 231 CG LEU A 16 40.526 -3.999 8.409 1.00 0.00 C ATOM 232 CD1 LEU A 16 40.715 -5.494 8.207 1.00 0.00 C ATOM 233 CD2 LEU A 16 41.860 -3.294 8.589 1.00 0.00 C ATOM 0 H LEU A 16 42.201 -3.869 6.318 1.00 0.00 H new ATOM 0 HA LEU A 16 39.479 -4.785 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 16 39.936 -2.320 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 16 38.701 -3.552 7.377 1.00 0.00 H new ATOM 0 HG LEU A 16 39.942 -3.854 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 16 41.256 -5.910 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 16 39.741 -5.976 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 16 41.284 -5.669 7.294 1.00 0.00 H new ATOM 0 HD21 LEU A 16 42.391 -3.731 9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 16 42.458 -3.411 7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 16 41.689 -2.234 8.776 1.00 0.00 H new ATOM 245 N HIS A 17 39.172 -3.161 3.835 1.00 0.00 N ATOM 246 CA HIS A 17 38.956 -2.239 2.730 1.00 0.00 C ATOM 247 C HIS A 17 38.351 -0.931 3.224 1.00 0.00 C ATOM 248 O HIS A 17 37.353 -0.927 3.944 1.00 0.00 O ATOM 249 CB HIS A 17 38.042 -2.871 1.681 1.00 0.00 C ATOM 250 CG HIS A 17 38.503 -4.223 1.230 1.00 0.00 C ATOM 251 ND1 HIS A 17 39.446 -4.405 0.241 1.00 0.00 N ATOM 252 CD2 HIS A 17 38.152 -5.462 1.647 1.00 0.00 C ATOM 253 CE1 HIS A 17 39.654 -5.699 0.067 1.00 0.00 C ATOM 254 NE2 HIS A 17 38.882 -6.360 0.908 1.00 0.00 N ATOM 0 H HIS A 17 38.592 -4.000 3.802 1.00 0.00 H new ATOM 0 HA HIS A 17 39.923 -2.024 2.276 1.00 0.00 H new ATOM 0 HB2 HIS A 17 37.035 -2.956 2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 17 37.980 -2.209 0.817 1.00 0.00 H new ATOM 0 HD2 HIS A 17 37.433 -5.700 2.417 1.00 0.00 H new ATOM 0 HE1 HIS A 17 40.339 -6.140 -0.642 1.00 0.00 H new ATOM 0 HE2 HIS A 17 38.835 -7.375 0.995 1.00 0.00 H new ATOM 262 N ILE A 18 38.968 0.174 2.827 1.00 0.00 N ATOM 263 CA ILE A 18 38.508 1.499 3.217 1.00 0.00 C ATOM 264 C ILE A 18 38.076 2.291 1.987 1.00 0.00 C ATOM 265 O ILE A 18 38.671 2.166 0.919 1.00 0.00 O ATOM 266 CB ILE A 18 39.619 2.261 3.961 1.00 0.00 C ATOM 267 CG1 ILE A 18 40.145 1.420 5.124 1.00 0.00 C ATOM 268 CG2 ILE A 18 39.118 3.607 4.459 1.00 0.00 C ATOM 269 CD1 ILE A 18 39.054 0.708 5.892 1.00 0.00 C ATOM 0 H ILE A 18 39.795 0.177 2.230 1.00 0.00 H new ATOM 0 HA ILE A 18 37.655 1.381 3.885 1.00 0.00 H new ATOM 0 HB ILE A 18 40.435 2.445 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 18 40.849 0.682 4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 18 40.699 2.064 5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 18 39.923 4.124 4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 18 38.789 4.209 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 18 38.282 3.454 5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 18 39.498 0.130 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 18 38.362 1.442 6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 18 38.515 0.038 5.222 1.00 0.00 H new ATOM 281 N PRO A 19 37.019 3.102 2.107 1.00 0.00 N ATOM 282 CA PRO A 19 36.503 3.890 0.988 1.00 0.00 C ATOM 283 C PRO A 19 37.591 4.658 0.230 1.00 0.00 C ATOM 284 O PRO A 19 38.122 4.154 -0.755 1.00 0.00 O ATOM 285 CB PRO A 19 35.490 4.846 1.642 1.00 0.00 C ATOM 286 CG PRO A 19 35.693 4.699 3.116 1.00 0.00 C ATOM 287 CD PRO A 19 36.224 3.311 3.322 1.00 0.00 C ATOM 0 HA PRO A 19 36.059 3.250 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 19 35.660 5.875 1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 19 34.469 4.589 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 19 36.394 5.445 3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 19 34.757 4.843 3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 19 36.831 3.237 4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 19 35.423 2.578 3.416 1.00 0.00 H new ATOM 295 N ASN A 20 37.894 5.880 0.673 1.00 0.00 N ATOM 296 CA ASN A 20 38.894 6.726 0.013 1.00 0.00 C ATOM 297 C ASN A 20 40.340 6.293 0.286 1.00 0.00 C ATOM 298 O ASN A 20 41.219 6.495 -0.551 1.00 0.00 O ATOM 299 CB ASN A 20 38.704 8.183 0.439 1.00 0.00 C ATOM 300 CG ASN A 20 37.380 8.753 -0.035 1.00 0.00 C ATOM 301 OD1 ASN A 20 36.714 8.174 -0.893 1.00 0.00 O ATOM 302 ND2 ASN A 20 36.993 9.895 0.522 1.00 0.00 N ATOM 0 H ASN A 20 37.459 6.309 1.490 1.00 0.00 H new ATOM 0 HA ASN A 20 38.732 6.616 -1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 20 38.759 8.252 1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 20 39.520 8.785 0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 20 36.112 10.326 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 20 37.577 10.341 1.230 1.00 0.00 H new ATOM 309 N ILE A 21 40.591 5.725 1.461 1.00 0.00 N ATOM 310 CA ILE A 21 41.937 5.299 1.837 1.00 0.00 C ATOM 311 C ILE A 21 42.450 4.200 0.921 1.00 0.00 C ATOM 312 O ILE A 21 43.404 4.402 0.168 1.00 0.00 O ATOM 313 CB ILE A 21 41.977 4.805 3.295 1.00 0.00 C ATOM 314 CG1 ILE A 21 41.701 5.962 4.254 1.00 0.00 C ATOM 315 CG2 ILE A 21 43.316 4.154 3.603 1.00 0.00 C ATOM 316 CD1 ILE A 21 41.652 5.544 5.708 1.00 0.00 C ATOM 0 H ILE A 21 39.880 5.548 2.171 1.00 0.00 H new ATOM 0 HA ILE A 21 42.583 6.171 1.736 1.00 0.00 H new ATOM 0 HB ILE A 21 41.198 4.054 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 21 42.474 6.720 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 21 40.752 6.427 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 21 43.325 3.812 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 21 43.469 3.304 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 21 44.116 4.879 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 21 41.452 6.416 6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 21 40.860 4.809 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 21 42.609 5.106 5.993 1.00 0.00 H new ATOM 328 N THR A 22 41.806 3.043 0.974 1.00 0.00 N ATOM 329 CA THR A 22 42.198 1.929 0.129 1.00 0.00 C ATOM 330 C THR A 22 41.676 2.144 -1.283 1.00 0.00 C ATOM 331 O THR A 22 41.953 1.352 -2.185 1.00 0.00 O ATOM 332 CB THR A 22 41.696 0.603 0.701 1.00 0.00 C ATOM 333 OG1 THR A 22 40.284 0.550 0.684 1.00 0.00 O ATOM 334 CG2 THR A 22 42.151 0.362 2.124 1.00 0.00 C ATOM 0 H THR A 22 41.015 2.854 1.590 1.00 0.00 H new ATOM 0 HA THR A 22 43.286 1.881 0.097 1.00 0.00 H new ATOM 0 HB THR A 22 42.123 -0.170 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.926 1.436 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 22 41.762 -0.595 2.473 1.00 0.00 H new ATOM 0 HG22 THR A 22 43.240 0.346 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 22 41.778 1.161 2.765 1.00 0.00 H new ATOM 342 N ASP A 23 40.943 3.241 -1.480 1.00 0.00 N ATOM 343 CA ASP A 23 40.421 3.566 -2.794 1.00 0.00 C ATOM 344 C ASP A 23 41.548 3.426 -3.794 1.00 0.00 C ATOM 345 O ASP A 23 41.339 3.074 -4.956 1.00 0.00 O ATOM 346 CB ASP A 23 39.883 4.997 -2.823 1.00 0.00 C ATOM 347 CG ASP A 23 38.895 5.224 -3.949 1.00 0.00 C ATOM 348 OD1 ASP A 23 38.515 4.238 -4.615 1.00 0.00 O ATOM 349 OD2 ASP A 23 38.497 6.389 -4.163 1.00 0.00 O ATOM 0 H ASP A 23 40.703 3.910 -0.749 1.00 0.00 H new ATOM 0 HA ASP A 23 39.601 2.891 -3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 23 39.401 5.220 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 23 40.716 5.692 -2.929 1.00 0.00 H new ATOM 354 N ASN A 24 42.755 3.704 -3.314 1.00 0.00 N ATOM 355 CA ASN A 24 43.942 3.609 -4.144 1.00 0.00 C ATOM 356 C ASN A 24 44.652 2.279 -3.915 1.00 0.00 C ATOM 357 O ASN A 24 44.979 1.924 -2.782 1.00 0.00 O ATOM 358 CB ASN A 24 44.891 4.771 -3.847 1.00 0.00 C ATOM 359 CG ASN A 24 45.648 5.227 -5.077 1.00 0.00 C ATOM 360 OD1 ASN A 24 45.094 5.286 -6.175 1.00 0.00 O ATOM 361 ND2 ASN A 24 46.921 5.554 -4.899 1.00 0.00 N ATOM 0 H ASN A 24 42.933 3.997 -2.353 1.00 0.00 H new ATOM 0 HA ASN A 24 43.636 3.663 -5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 24 44.321 5.608 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 24 45.602 4.469 -3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 24 47.482 5.870 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 24 47.339 5.490 -3.971 1.00 0.00 H new ATOM 368 N PRO A 25 44.903 1.526 -4.996 1.00 0.00 N ATOM 369 CA PRO A 25 45.580 0.232 -4.920 1.00 0.00 C ATOM 370 C PRO A 25 46.856 0.331 -4.111 1.00 0.00 C ATOM 371 O PRO A 25 47.264 -0.613 -3.431 1.00 0.00 O ATOM 372 CB PRO A 25 45.915 -0.096 -6.383 1.00 0.00 C ATOM 373 CG PRO A 25 45.586 1.136 -7.167 1.00 0.00 C ATOM 374 CD PRO A 25 44.555 1.878 -6.374 1.00 0.00 C ATOM 0 HA PRO A 25 44.965 -0.526 -4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 25 46.967 -0.359 -6.493 1.00 0.00 H new ATOM 0 HB3 PRO A 25 45.335 -0.949 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 25 46.475 1.749 -7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 25 45.205 0.878 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 25 44.608 2.953 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 25 43.543 1.565 -6.630 1.00 0.00 H new ATOM 382 N CYS A 26 47.472 1.495 -4.190 1.00 0.00 N ATOM 383 CA CYS A 26 48.703 1.764 -3.470 1.00 0.00 C ATOM 384 C CYS A 26 48.451 1.769 -1.967 1.00 0.00 C ATOM 385 O CYS A 26 49.380 1.630 -1.172 1.00 0.00 O ATOM 386 CB CYS A 26 49.281 3.114 -3.903 1.00 0.00 C ATOM 387 SG CYS A 26 49.466 3.304 -5.705 1.00 0.00 S ATOM 0 H CYS A 26 47.136 2.277 -4.752 1.00 0.00 H new ATOM 0 HA CYS A 26 49.419 0.976 -3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 26 48.636 3.909 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 26 50.255 3.247 -3.433 1.00 0.00 H new ATOM 392 N ILE A 27 47.188 1.953 -1.580 1.00 0.00 N ATOM 393 CA ILE A 27 46.830 2.004 -0.169 1.00 0.00 C ATOM 394 C ILE A 27 45.959 0.826 0.272 1.00 0.00 C ATOM 395 O ILE A 27 44.890 0.579 -0.287 1.00 0.00 O ATOM 396 CB ILE A 27 46.084 3.309 0.167 1.00 0.00 C ATOM 397 CG1 ILE A 27 46.868 4.512 -0.356 1.00 0.00 C ATOM 398 CG2 ILE A 27 45.862 3.422 1.672 1.00 0.00 C ATOM 399 CD1 ILE A 27 46.258 5.844 0.016 1.00 0.00 C ATOM 0 H ILE A 27 46.403 2.068 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 27 47.775 1.955 0.372 1.00 0.00 H new ATOM 0 HB ILE A 27 45.109 3.293 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 27 47.886 4.468 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 27 46.938 4.445 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 27 45.334 4.349 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 27 45.269 2.575 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 27 46.825 3.422 2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 27 46.869 6.650 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 27 45.251 5.910 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 27 46.214 5.933 1.101 1.00 0.00 H new ATOM 411 N SER A 28 46.418 0.137 1.312 1.00 0.00 N ATOM 412 CA SER A 28 45.692 -0.987 1.900 1.00 0.00 C ATOM 413 C SER A 28 45.715 -0.823 3.414 1.00 0.00 C ATOM 414 O SER A 28 46.691 -0.304 3.940 1.00 0.00 O ATOM 415 CB SER A 28 46.338 -2.316 1.504 1.00 0.00 C ATOM 416 OG SER A 28 46.448 -2.431 0.096 1.00 0.00 O ATOM 0 H SER A 28 47.305 0.341 1.773 1.00 0.00 H new ATOM 0 HA SER A 28 44.665 -0.996 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 28 47.327 -2.392 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 28 45.744 -3.143 1.894 1.00 0.00 H new ATOM 0 HG SER A 28 46.865 -3.288 -0.131 1.00 0.00 H new ATOM 422 N CYS A 29 44.673 -1.265 4.124 1.00 0.00 N ATOM 423 CA CYS A 29 44.644 -1.140 5.563 1.00 0.00 C ATOM 424 C CYS A 29 44.557 -2.518 6.163 1.00 0.00 C ATOM 425 O CYS A 29 43.671 -3.285 5.798 1.00 0.00 O ATOM 426 CB CYS A 29 43.421 -0.345 6.013 1.00 0.00 C ATOM 427 SG CYS A 29 43.267 1.299 5.256 1.00 0.00 S ATOM 0 H CYS A 29 43.849 -1.708 3.718 1.00 0.00 H new ATOM 0 HA CYS A 29 45.546 -0.623 5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 29 42.525 -0.921 5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 29 43.457 -0.230 7.096 1.00 0.00 H new ATOM 432 N VAL A 30 45.427 -2.833 7.093 1.00 0.00 N ATOM 433 CA VAL A 30 45.357 -4.129 7.718 1.00 0.00 C ATOM 434 C VAL A 30 45.075 -3.994 9.166 1.00 0.00 C ATOM 435 O VAL A 30 45.635 -3.163 9.876 1.00 0.00 O ATOM 436 CB VAL A 30 46.584 -4.998 7.498 1.00 0.00 C ATOM 437 CG1 VAL A 30 47.764 -4.503 8.318 1.00 0.00 C ATOM 438 CG2 VAL A 30 46.255 -6.446 7.804 1.00 0.00 C ATOM 0 H VAL A 30 46.175 -2.225 7.427 1.00 0.00 H new ATOM 0 HA VAL A 30 44.534 -4.647 7.225 1.00 0.00 H new ATOM 0 HB VAL A 30 46.877 -4.930 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 30 48.626 -5.145 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 30 48.006 -3.481 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 30 47.507 -4.527 9.377 1.00 0.00 H new ATOM 0 HG21 VAL A 30 47.140 -7.062 7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 30 45.934 -6.535 8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 30 45.454 -6.784 7.147 1.00 0.00 H new ATOM 448 N CYS A 31 44.138 -4.790 9.568 1.00 0.00 N ATOM 449 CA CYS A 31 43.665 -4.755 10.918 1.00 0.00 C ATOM 450 C CYS A 31 44.792 -4.810 11.949 1.00 0.00 C ATOM 451 O CYS A 31 45.101 -5.874 12.484 1.00 0.00 O ATOM 452 CB CYS A 31 42.690 -5.888 11.197 1.00 0.00 C ATOM 453 SG CYS A 31 42.217 -5.976 12.951 1.00 0.00 S ATOM 0 H CYS A 31 43.679 -5.481 8.974 1.00 0.00 H new ATOM 0 HA CYS A 31 43.157 -3.796 11.020 1.00 0.00 H new ATOM 0 HB2 CYS A 31 41.796 -5.753 10.588 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.140 -6.834 10.897 1.00 0.00 H new ATOM 458 N LEU A 32 45.378 -3.662 12.249 1.00 0.00 N ATOM 459 CA LEU A 32 46.438 -3.580 13.245 1.00 0.00 C ATOM 460 C LEU A 32 45.888 -3.086 14.570 1.00 0.00 C ATOM 461 O LEU A 32 45.349 -1.983 14.651 1.00 0.00 O ATOM 462 CB LEU A 32 47.527 -2.622 12.788 1.00 0.00 C ATOM 463 CG LEU A 32 48.527 -2.229 13.870 1.00 0.00 C ATOM 464 CD1 LEU A 32 49.444 -3.393 14.200 1.00 0.00 C ATOM 465 CD2 LEU A 32 49.332 -1.014 13.433 1.00 0.00 C ATOM 0 H LEU A 32 45.137 -2.770 11.816 1.00 0.00 H new ATOM 0 HA LEU A 32 46.854 -4.580 13.368 1.00 0.00 H new ATOM 0 HB2 LEU A 32 48.069 -3.079 11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 32 47.057 -1.718 12.401 1.00 0.00 H new ATOM 0 HG LEU A 32 47.974 -1.967 14.772 1.00 0.00 H new ATOM 0 HD11 LEU A 32 50.150 -3.092 14.974 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.850 -4.234 14.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 49.991 -3.690 13.305 1.00 0.00 H new ATOM 0 HD21 LEU A 32 50.041 -0.746 14.216 1.00 0.00 H new ATOM 0 HD22 LEU A 32 49.874 -1.247 12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 32 48.658 -0.177 13.252 1.00 0.00 H new ATOM 477 N ASN A 33 46.037 -3.888 15.613 1.00 0.00 N ATOM 478 CA ASN A 33 45.556 -3.487 16.922 1.00 0.00 C ATOM 479 C ASN A 33 44.109 -3.015 16.820 1.00 0.00 C ATOM 480 O ASN A 33 43.728 -2.006 17.413 1.00 0.00 O ATOM 481 CB ASN A 33 46.443 -2.368 17.468 1.00 0.00 C ATOM 482 CG ASN A 33 47.890 -2.800 17.621 1.00 0.00 C ATOM 483 OD1 ASN A 33 48.174 -3.955 17.939 1.00 0.00 O ATOM 484 ND2 ASN A 33 48.812 -1.872 17.389 1.00 0.00 N ATOM 0 H ASN A 33 46.480 -4.806 15.579 1.00 0.00 H new ATOM 0 HA ASN A 33 45.597 -4.338 17.602 1.00 0.00 H new ATOM 0 HB2 ASN A 33 46.392 -1.509 16.800 1.00 0.00 H new ATOM 0 HB3 ASN A 33 46.059 -2.043 18.435 1.00 0.00 H new ATOM 0 HD21 ASN A 33 49.802 -2.104 17.472 1.00 0.00 H new ATOM 0 HD22 ASN A 33 48.530 -0.927 17.128 1.00 0.00 H new ATOM 491 N GLN A 34 43.317 -3.743 16.037 1.00 0.00 N ATOM 492 CA GLN A 34 41.917 -3.395 15.822 1.00 0.00 C ATOM 493 C GLN A 34 41.798 -2.066 15.107 1.00 0.00 C ATOM 494 O GLN A 34 40.858 -1.303 15.326 1.00 0.00 O ATOM 495 CB GLN A 34 41.170 -3.305 17.132 1.00 0.00 C ATOM 496 CG GLN A 34 41.007 -4.634 17.843 1.00 0.00 C ATOM 497 CD GLN A 34 40.267 -4.503 19.159 1.00 0.00 C ATOM 498 OE1 GLN A 34 40.392 -3.497 19.858 1.00 0.00 O ATOM 499 NE2 GLN A 34 39.486 -5.519 19.500 1.00 0.00 N ATOM 0 H GLN A 34 43.623 -4.580 15.540 1.00 0.00 H new ATOM 0 HA GLN A 34 41.480 -4.184 15.210 1.00 0.00 H new ATOM 0 HB2 GLN A 34 41.696 -2.614 17.791 1.00 0.00 H new ATOM 0 HB3 GLN A 34 40.183 -2.880 16.947 1.00 0.00 H new ATOM 0 HG2 GLN A 34 40.469 -5.325 17.195 1.00 0.00 H new ATOM 0 HG3 GLN A 34 41.990 -5.068 18.025 1.00 0.00 H new ATOM 0 HE21 GLN A 34 39.413 -6.333 18.890 1.00 0.00 H new ATOM 0 HE22 GLN A 34 38.959 -5.486 20.372 1.00 0.00 H new ATOM 508 N LYS A 35 42.758 -1.807 14.255 1.00 0.00 N ATOM 509 CA LYS A 35 42.789 -0.578 13.485 1.00 0.00 C ATOM 510 C LYS A 35 43.169 -0.886 12.051 1.00 0.00 C ATOM 511 O LYS A 35 43.960 -1.784 11.800 1.00 0.00 O ATOM 512 CB LYS A 35 43.793 0.400 14.092 1.00 0.00 C ATOM 513 CG LYS A 35 43.475 0.789 15.525 1.00 0.00 C ATOM 514 CD LYS A 35 44.486 1.786 16.064 1.00 0.00 C ATOM 515 CE LYS A 35 44.263 2.065 17.542 1.00 0.00 C ATOM 516 NZ LYS A 35 44.143 0.808 18.333 1.00 0.00 N ATOM 0 H LYS A 35 43.540 -2.436 14.072 1.00 0.00 H new ATOM 0 HA LYS A 35 41.800 -0.120 13.505 1.00 0.00 H new ATOM 0 HB2 LYS A 35 44.787 -0.045 14.058 1.00 0.00 H new ATOM 0 HB3 LYS A 35 43.826 1.301 13.479 1.00 0.00 H new ATOM 0 HG2 LYS A 35 42.475 1.220 15.574 1.00 0.00 H new ATOM 0 HG3 LYS A 35 43.469 -0.102 16.153 1.00 0.00 H new ATOM 0 HD2 LYS A 35 45.494 1.400 15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 35 44.414 2.717 15.502 1.00 0.00 H new ATOM 0 HE2 LYS A 35 45.091 2.659 17.928 1.00 0.00 H new ATOM 0 HE3 LYS A 35 43.358 2.660 17.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 44.540 0.956 19.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 43.141 0.543 18.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 44.665 0.046 17.855 1.00 0.00 H new ATOM 530 N ALA A 36 42.619 -0.148 11.108 1.00 0.00 N ATOM 531 CA ALA A 36 42.949 -0.391 9.718 1.00 0.00 C ATOM 532 C ALA A 36 44.351 0.090 9.423 1.00 0.00 C ATOM 533 O ALA A 36 44.555 1.241 9.038 1.00 0.00 O ATOM 534 CB ALA A 36 41.966 0.297 8.808 1.00 0.00 C ATOM 0 H ALA A 36 41.956 0.609 11.272 1.00 0.00 H new ATOM 0 HA ALA A 36 42.895 -1.464 9.536 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.233 0.101 7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.963 -0.082 9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.990 1.371 8.992 1.00 0.00 H new ATOM 540 N GLU A 37 45.319 -0.787 9.618 1.00 0.00 N ATOM 541 CA GLU A 37 46.693 -0.422 9.382 1.00 0.00 C ATOM 542 C GLU A 37 46.910 -0.098 7.918 1.00 0.00 C ATOM 543 O GLU A 37 47.193 -0.989 7.117 1.00 0.00 O ATOM 544 CB GLU A 37 47.628 -1.550 9.787 1.00 0.00 C ATOM 545 CG GLU A 37 49.047 -1.102 10.099 1.00 0.00 C ATOM 546 CD GLU A 37 49.981 -2.268 10.357 1.00 0.00 C ATOM 547 OE1 GLU A 37 49.528 -3.427 10.241 1.00 0.00 O ATOM 548 OE2 GLU A 37 51.164 -2.023 10.674 1.00 0.00 O ATOM 0 H GLU A 37 45.176 -1.746 9.936 1.00 0.00 H new ATOM 0 HA GLU A 37 46.913 0.458 9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 37 47.216 -2.051 10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 37 47.660 -2.286 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.429 -0.512 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.035 -0.450 10.973 1.00 0.00 H new ATOM 555 N CYS A 38 46.757 1.161 7.562 1.00 0.00 N ATOM 556 CA CYS A 38 46.921 1.554 6.172 1.00 0.00 C ATOM 557 C CYS A 38 48.328 2.025 5.852 1.00 0.00 C ATOM 558 O CYS A 38 49.039 2.573 6.695 1.00 0.00 O ATOM 559 CB CYS A 38 45.922 2.636 5.777 1.00 0.00 C ATOM 560 SG CYS A 38 44.282 2.484 6.547 1.00 0.00 S ATOM 0 H CYS A 38 46.523 1.921 8.201 1.00 0.00 H new ATOM 0 HA CYS A 38 46.730 0.654 5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 38 46.340 3.608 6.037 1.00 0.00 H new ATOM 0 HB3 CYS A 38 45.801 2.620 4.694 1.00 0.00 H new ATOM 565 N LYS A 39 48.706 1.791 4.604 1.00 0.00 N ATOM 566 CA LYS A 39 50.010 2.161 4.092 1.00 0.00 C ATOM 567 C LYS A 39 49.900 2.431 2.596 1.00 0.00 C ATOM 568 O LYS A 39 49.174 1.730 1.891 1.00 0.00 O ATOM 569 CB LYS A 39 50.993 1.026 4.363 1.00 20.00 C ATOM 570 CG LYS A 39 51.088 0.669 5.837 1.00 20.00 C ATOM 571 CD LYS A 39 51.866 -0.615 6.051 1.00 20.00 C ATOM 572 CE LYS A 39 51.878 -1.017 7.517 1.00 20.00 C ATOM 573 NZ LYS A 39 53.143 -0.619 8.196 1.00 20.00 N ATOM 0 H LYS A 39 48.108 1.335 3.915 1.00 0.00 H new ATOM 0 HA LYS A 39 50.370 3.063 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 39 50.688 0.145 3.799 1.00 20.00 H new ATOM 0 HB3 LYS A 39 51.980 1.311 3.999 1.00 20.00 H new ATOM 0 HG2 LYS A 39 51.571 1.482 6.379 1.00 20.00 H new ATOM 0 HG3 LYS A 39 50.086 0.561 6.251 1.00 20.00 H new ATOM 0 HD2 LYS A 39 51.423 -1.414 5.456 1.00 20.00 H new ATOM 0 HD3 LYS A 39 52.889 -0.485 5.699 1.00 20.00 H new ATOM 0 HE2 LYS A 39 51.032 -0.555 8.026 1.00 20.00 H new ATOM 0 HE3 LYS A 39 51.747 -2.096 7.598 1.00 20.00 H new ATOM 0 HZ1 LYS A 39 53.109 -0.912 9.193 1.00 20.00 H new ATOM 0 HZ2 LYS A 39 53.949 -1.080 7.727 1.00 20.00 H new ATOM 0 HZ3 LYS A 39 53.256 0.413 8.142 1.00 20.00 H new ATOM 587 N GLN A 40 50.601 3.445 2.111 1.00 0.00 N ATOM 588 CA GLN A 40 50.546 3.782 0.694 1.00 0.00 C ATOM 589 C GLN A 40 51.860 3.447 -0.002 1.00 0.00 C ATOM 590 O GLN A 40 52.918 3.414 0.625 1.00 0.00 O ATOM 591 CB GLN A 40 50.206 5.261 0.503 1.00 0.00 C ATOM 592 CG GLN A 40 49.958 5.643 -0.948 1.00 0.00 C ATOM 593 CD GLN A 40 49.711 7.129 -1.127 1.00 0.00 C ATOM 594 OE1 GLN A 40 49.469 7.852 -0.160 1.00 0.00 O ATOM 595 NE2 GLN A 40 49.778 7.597 -2.370 1.00 0.00 N ATOM 0 H GLN A 40 51.209 4.044 2.670 1.00 0.00 H new ATOM 0 HA GLN A 40 49.758 3.182 0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 40 49.320 5.501 1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 40 51.022 5.867 0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 40 50.817 5.346 -1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 40 49.099 5.088 -1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 40 49.981 6.964 -3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 40 49.626 8.589 -2.550 1.00 0.00 H new ATOM 604 N GLU A 41 51.777 3.194 -1.302 1.00 0.00 N ATOM 605 CA GLU A 41 52.931 2.856 -2.097 1.00 0.00 C ATOM 606 C GLU A 41 53.426 4.043 -2.891 1.00 0.00 C ATOM 607 O GLU A 41 52.652 4.813 -3.458 1.00 0.00 O ATOM 608 CB GLU A 41 52.612 1.720 -3.066 1.00 0.00 C ATOM 609 CG GLU A 41 53.738 1.452 -4.051 1.00 0.00 C ATOM 610 CD GLU A 41 54.928 0.764 -3.409 1.00 0.00 C ATOM 611 OE1 GLU A 41 54.742 0.117 -2.357 1.00 0.00 O ATOM 612 OE2 GLU A 41 56.046 0.875 -3.956 1.00 0.00 O ATOM 0 H GLU A 41 50.903 3.220 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 41 53.710 2.541 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 41 52.408 0.812 -2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 41 51.704 1.963 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 41 53.362 0.833 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 41 54.063 2.395 -4.490 1.00 0.00 H new ATOM 619 N LYS A 42 54.729 4.141 -2.950 1.00 0.00 N ATOM 620 CA LYS A 42 55.397 5.188 -3.703 1.00 0.00 C ATOM 621 C LYS A 42 56.262 4.569 -4.786 1.00 0.00 C ATOM 622 O LYS A 42 57.022 3.632 -4.539 1.00 0.00 O ATOM 623 CB LYS A 42 56.245 6.073 -2.799 1.00 0.00 C ATOM 624 CG LYS A 42 56.819 7.290 -3.508 1.00 0.00 C ATOM 625 CD LYS A 42 55.768 8.375 -3.685 1.00 0.00 C ATOM 626 CE LYS A 42 56.350 9.613 -4.343 1.00 0.00 C ATOM 627 NZ LYS A 42 56.911 9.313 -5.689 1.00 0.00 N ATOM 0 H LYS A 42 55.365 3.498 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 42 54.632 5.816 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 42 55.639 6.405 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 42 57.064 5.482 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.659 7.684 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.208 6.995 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 42 54.947 7.992 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 42 55.351 8.640 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.575 10.374 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 42 57.132 10.028 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.608 10.045 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.950 9.299 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 56.568 8.385 -6.009 1.00 0.00 H new ATOM 641 N CYS A 43 56.121 5.089 -5.985 1.00 0.00 N ATOM 642 CA CYS A 43 56.865 4.589 -7.133 1.00 0.00 C ATOM 643 C CYS A 43 57.782 5.664 -7.708 1.00 0.00 C ATOM 644 O CYS A 43 57.583 6.856 -7.469 1.00 0.00 O ATOM 645 CB CYS A 43 55.888 4.099 -8.200 1.00 0.00 C ATOM 646 SG CYS A 43 54.367 3.365 -7.516 1.00 0.00 S ATOM 0 H CYS A 43 55.494 5.865 -6.197 1.00 0.00 H new ATOM 0 HA CYS A 43 57.492 3.760 -6.805 1.00 0.00 H new ATOM 0 HB2 CYS A 43 55.619 4.935 -8.846 1.00 0.00 H new ATOM 0 HB3 CYS A 43 56.388 3.360 -8.826 1.00 0.00 H new ATOM 651 N ALA A 44 58.787 5.234 -8.465 1.00 0.00 N ATOM 652 CA ALA A 44 59.739 6.158 -9.071 1.00 0.00 C ATOM 653 C ALA A 44 59.132 6.881 -10.270 1.00 0.00 C ATOM 654 O ALA A 44 58.208 6.382 -10.913 1.00 0.00 O ATOM 655 CB ALA A 44 61.002 5.418 -9.485 1.00 0.00 C ATOM 0 H ALA A 44 58.963 4.251 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 44 59.995 6.909 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 44 61.704 6.120 -9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 44 61.460 4.960 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 44 60.749 4.643 -10.208 1.00 0.00 H new ATOM 661 N PRO A 45 59.660 8.073 -10.585 1.00 0.00 N ATOM 662 CA PRO A 45 59.189 8.887 -11.713 1.00 0.00 C ATOM 663 C PRO A 45 59.416 8.207 -13.060 1.00 0.00 C ATOM 664 O PRO A 45 60.272 7.333 -13.191 1.00 0.00 O ATOM 665 CB PRO A 45 60.029 10.163 -11.613 1.00 0.00 C ATOM 666 CG PRO A 45 61.236 9.767 -10.834 1.00 0.00 C ATOM 667 CD PRO A 45 60.770 8.719 -9.866 1.00 0.00 C ATOM 0 HA PRO A 45 58.115 9.063 -11.661 1.00 0.00 H new ATOM 0 HB2 PRO A 45 60.301 10.536 -12.601 1.00 0.00 H new ATOM 0 HB3 PRO A 45 59.479 10.960 -11.112 1.00 0.00 H new ATOM 0 HG2 PRO A 45 62.014 9.376 -11.490 1.00 0.00 H new ATOM 0 HG3 PRO A 45 61.661 10.623 -10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 45 61.563 8.010 -9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 45 60.440 9.158 -8.924 1.00 0.00 H new ATOM 675 N LEU A 46 58.640 8.619 -14.056 1.00 0.00 N ATOM 676 CA LEU A 46 58.746 8.061 -15.397 1.00 0.00 C ATOM 677 C LEU A 46 59.279 9.115 -16.364 1.00 0.00 C ATOM 678 O LEU A 46 60.062 9.982 -15.975 1.00 0.00 O ATOM 679 CB LEU A 46 57.377 7.554 -15.862 1.00 0.00 C ATOM 680 CG LEU A 46 56.334 7.423 -14.762 1.00 0.00 C ATOM 681 CD1 LEU A 46 55.088 6.733 -15.290 1.00 0.00 C ATOM 682 CD2 LEU A 46 56.903 6.673 -13.568 1.00 0.00 C ATOM 0 H LEU A 46 57.927 9.342 -13.958 1.00 0.00 H new ATOM 0 HA LEU A 46 59.443 7.223 -15.379 1.00 0.00 H new ATOM 0 HB2 LEU A 46 56.995 8.232 -16.626 1.00 0.00 H new ATOM 0 HB3 LEU A 46 57.508 6.581 -16.336 1.00 0.00 H new ATOM 0 HG LEU A 46 56.056 8.423 -14.431 1.00 0.00 H new ATOM 0 HD11 LEU A 46 54.353 6.648 -14.490 1.00 0.00 H new ATOM 0 HD12 LEU A 46 54.668 7.317 -16.108 1.00 0.00 H new ATOM 0 HD13 LEU A 46 55.348 5.738 -15.651 1.00 0.00 H new ATOM 0 HD21 LEU A 46 56.141 6.591 -12.793 1.00 0.00 H new ATOM 0 HD22 LEU A 46 57.213 5.676 -13.879 1.00 0.00 H new ATOM 0 HD23 LEU A 46 57.763 7.214 -13.175 1.00 0.00 H new ATOM 694 N ALA A 47 58.849 9.049 -17.622 1.00 0.00 N ATOM 695 CA ALA A 47 59.287 10.012 -18.623 1.00 0.00 C ATOM 696 C ALA A 47 58.730 11.397 -18.348 1.00 0.00 C ATOM 697 O ALA A 47 59.035 12.357 -19.056 1.00 0.00 O ATOM 698 CB ALA A 47 58.882 9.551 -20.012 1.00 0.00 C ATOM 0 H ALA A 47 58.201 8.342 -17.969 1.00 0.00 H new ATOM 0 HA ALA A 47 60.374 10.073 -18.569 1.00 0.00 H new ATOM 0 HB1 ALA A 47 59.216 10.281 -20.749 1.00 0.00 H new ATOM 0 HB2 ALA A 47 59.341 8.585 -20.223 1.00 0.00 H new ATOM 0 HB3 ALA A 47 57.797 9.455 -20.062 1.00 0.00 H new ATOM 704 N GLU A 48 57.901 11.485 -17.327 1.00 0.00 N ATOM 705 CA GLU A 48 57.273 12.739 -16.955 1.00 0.00 C ATOM 706 C GLU A 48 56.031 12.962 -17.795 1.00 0.00 C ATOM 707 O GLU A 48 55.280 13.916 -17.593 1.00 0.00 O ATOM 708 CB GLU A 48 58.249 13.894 -17.147 1.00 0.00 C ATOM 709 CG GLU A 48 57.873 15.146 -16.372 1.00 0.00 C ATOM 710 CD GLU A 48 58.823 16.298 -16.630 1.00 0.00 C ATOM 711 OE1 GLU A 48 59.741 16.136 -17.462 1.00 0.00 O ATOM 712 OE2 GLU A 48 58.651 17.362 -16.000 1.00 0.00 O ATOM 0 H GLU A 48 57.644 10.695 -16.735 1.00 0.00 H new ATOM 0 HA GLU A 48 56.988 12.693 -15.904 1.00 0.00 H new ATOM 0 HB2 GLU A 48 59.244 13.572 -16.840 1.00 0.00 H new ATOM 0 HB3 GLU A 48 58.306 14.137 -18.208 1.00 0.00 H new ATOM 0 HG2 GLU A 48 56.861 15.447 -16.643 1.00 0.00 H new ATOM 0 HG3 GLU A 48 57.863 14.920 -15.306 1.00 0.00 H new ATOM 719 N ASP A 49 55.826 12.054 -18.730 1.00 0.00 N ATOM 720 CA ASP A 49 54.683 12.101 -19.615 1.00 0.00 C ATOM 721 C ASP A 49 54.118 10.702 -19.798 1.00 0.00 C ATOM 722 O ASP A 49 53.207 10.492 -20.599 1.00 0.00 O ATOM 723 CB ASP A 49 55.079 12.696 -20.967 1.00 0.00 C ATOM 724 CG ASP A 49 55.497 14.150 -20.856 1.00 0.00 C ATOM 725 OD1 ASP A 49 54.928 14.868 -20.009 1.00 0.00 O ATOM 726 OD2 ASP A 49 56.391 14.572 -21.622 1.00 0.00 O ATOM 0 H ASP A 49 56.449 11.263 -18.896 1.00 0.00 H new ATOM 0 HA ASP A 49 53.918 12.738 -19.172 1.00 0.00 H new ATOM 0 HB2 ASP A 49 55.899 12.116 -21.391 1.00 0.00 H new ATOM 0 HB3 ASP A 49 54.240 12.613 -21.658 1.00 0.00 H new ATOM 731 N CYS A 50 54.660 9.738 -19.048 1.00 0.00 N ATOM 732 CA CYS A 50 54.194 8.374 -19.143 1.00 0.00 C ATOM 733 C CYS A 50 53.347 8.006 -17.937 1.00 0.00 C ATOM 734 O CYS A 50 53.448 8.622 -16.877 1.00 0.00 O ATOM 735 CB CYS A 50 55.356 7.388 -19.276 1.00 0.00 C ATOM 736 SG CYS A 50 56.505 7.773 -20.635 1.00 0.00 S ATOM 0 H CYS A 50 55.414 9.886 -18.378 1.00 0.00 H new ATOM 0 HA CYS A 50 53.583 8.307 -20.043 1.00 0.00 H new ATOM 0 HB2 CYS A 50 55.912 7.369 -18.339 1.00 0.00 H new ATOM 0 HB3 CYS A 50 54.953 6.387 -19.428 1.00 0.00 H new ATOM 741 N ALA A 51 52.519 6.993 -18.113 1.00 0.00 N ATOM 742 CA ALA A 51 51.650 6.523 -17.051 1.00 0.00 C ATOM 743 C ALA A 51 51.293 5.064 -17.274 1.00 0.00 C ATOM 744 O ALA A 51 50.210 4.617 -16.901 1.00 0.00 O ATOM 745 CB ALA A 51 50.394 7.378 -16.977 1.00 0.00 C ATOM 0 H ALA A 51 52.430 6.477 -18.988 1.00 0.00 H new ATOM 0 HA ALA A 51 52.178 6.608 -16.101 1.00 0.00 H new ATOM 0 HB1 ALA A 51 49.752 7.013 -16.175 1.00 0.00 H new ATOM 0 HB2 ALA A 51 50.670 8.413 -16.778 1.00 0.00 H new ATOM 0 HB3 ALA A 51 49.859 7.321 -17.925 1.00 0.00 H new ATOM 751 N LEU A 52 52.213 4.330 -17.895 1.00 0.00 N ATOM 752 CA LEU A 52 51.996 2.916 -18.179 1.00 0.00 C ATOM 753 C LEU A 52 53.241 2.245 -18.745 1.00 0.00 C ATOM 754 O LEU A 52 54.051 2.878 -19.410 1.00 0.00 O ATOM 755 CB LEU A 52 50.838 2.721 -19.157 1.00 0.00 C ATOM 756 CG LEU A 52 50.531 3.887 -20.112 1.00 0.00 C ATOM 757 CD1 LEU A 52 49.557 4.868 -19.477 1.00 0.00 C ATOM 758 CD2 LEU A 52 51.803 4.597 -20.560 1.00 0.00 C ATOM 0 H LEU A 52 53.113 4.691 -18.210 1.00 0.00 H new ATOM 0 HA LEU A 52 51.753 2.447 -17.225 1.00 0.00 H new ATOM 0 HB2 LEU A 52 51.047 1.836 -19.758 1.00 0.00 H new ATOM 0 HB3 LEU A 52 49.938 2.509 -18.580 1.00 0.00 H new ATOM 0 HG LEU A 52 50.061 3.466 -21.001 1.00 0.00 H new ATOM 0 HD11 LEU A 52 49.356 5.683 -20.172 1.00 0.00 H new ATOM 0 HD12 LEU A 52 48.625 4.354 -19.241 1.00 0.00 H new ATOM 0 HD13 LEU A 52 49.991 5.271 -18.562 1.00 0.00 H new ATOM 0 HD21 LEU A 52 51.545 5.414 -21.233 1.00 0.00 H new ATOM 0 HD22 LEU A 52 52.324 4.995 -19.689 1.00 0.00 H new ATOM 0 HD23 LEU A 52 52.451 3.890 -21.078 1.00 0.00 H new ATOM 770 N VAL A 53 53.369 0.948 -18.476 1.00 0.00 N ATOM 771 CA VAL A 53 54.498 0.155 -18.957 1.00 0.00 C ATOM 772 C VAL A 53 54.620 -1.129 -18.167 1.00 0.00 C ATOM 773 O VAL A 53 55.008 -2.175 -18.686 1.00 0.00 O ATOM 774 CB VAL A 53 55.829 0.938 -18.890 1.00 0.00 C ATOM 775 CG1 VAL A 53 55.823 1.910 -17.727 1.00 0.00 C ATOM 776 CG2 VAL A 53 57.025 -0.007 -18.790 1.00 0.00 C ATOM 0 H VAL A 53 52.696 0.419 -17.921 1.00 0.00 H new ATOM 0 HA VAL A 53 54.300 -0.079 -20.003 1.00 0.00 H new ATOM 0 HB VAL A 53 55.925 1.505 -19.816 1.00 0.00 H new ATOM 0 HG11 VAL A 53 56.769 2.450 -17.699 1.00 0.00 H new ATOM 0 HG12 VAL A 53 55.004 2.619 -17.850 1.00 0.00 H new ATOM 0 HG13 VAL A 53 55.691 1.361 -16.795 1.00 0.00 H new ATOM 0 HG21 VAL A 53 57.946 0.575 -18.745 1.00 0.00 H new ATOM 0 HG22 VAL A 53 56.935 -0.614 -17.889 1.00 0.00 H new ATOM 0 HG23 VAL A 53 57.049 -0.657 -19.665 1.00 0.00 H new ATOM 786 N VAL A 54 54.279 -1.020 -16.911 1.00 0.00 N ATOM 787 CA VAL A 54 54.327 -2.149 -15.990 1.00 0.00 C ATOM 788 C VAL A 54 53.232 -2.051 -14.940 1.00 0.00 C ATOM 789 O VAL A 54 53.493 -1.759 -13.772 1.00 0.00 O ATOM 790 CB VAL A 54 55.681 -2.246 -15.276 1.00 0.00 C ATOM 791 CG1 VAL A 54 56.724 -2.881 -16.183 1.00 0.00 C ATOM 792 CG2 VAL A 54 56.132 -0.875 -14.804 1.00 0.00 C ATOM 0 H VAL A 54 53.958 -0.150 -16.487 1.00 0.00 H new ATOM 0 HA VAL A 54 54.178 -3.043 -16.595 1.00 0.00 H new ATOM 0 HB VAL A 54 55.565 -2.885 -14.401 1.00 0.00 H new ATOM 0 HG11 VAL A 54 57.677 -2.940 -15.657 1.00 0.00 H new ATOM 0 HG12 VAL A 54 56.401 -3.884 -16.462 1.00 0.00 H new ATOM 0 HG13 VAL A 54 56.843 -2.275 -17.081 1.00 0.00 H new ATOM 0 HG21 VAL A 54 57.094 -0.962 -14.300 1.00 0.00 H new ATOM 0 HG22 VAL A 54 56.231 -0.209 -15.661 1.00 0.00 H new ATOM 0 HG23 VAL A 54 55.395 -0.468 -14.112 1.00 0.00 H new ATOM 802 N LYS A 55 52.007 -2.303 -15.367 1.00 0.00 N ATOM 803 CA LYS A 55 50.855 -2.255 -14.476 1.00 0.00 C ATOM 804 C LYS A 55 50.221 -3.631 -14.322 1.00 0.00 C ATOM 805 O LYS A 55 49.922 -4.306 -15.307 1.00 0.00 O ATOM 806 CB LYS A 55 49.815 -1.268 -15.000 1.00 0.00 C ATOM 807 CG LYS A 55 48.585 -1.166 -14.114 1.00 0.00 C ATOM 808 CD LYS A 55 47.415 -0.542 -14.854 1.00 0.00 C ATOM 809 CE LYS A 55 47.606 0.953 -15.041 1.00 0.00 C ATOM 810 NZ LYS A 55 46.345 1.706 -14.796 1.00 0.00 N ATOM 0 H LYS A 55 51.781 -2.545 -16.332 1.00 0.00 H new ATOM 0 HA LYS A 55 51.206 -1.923 -13.499 1.00 0.00 H new ATOM 0 HB2 LYS A 55 50.272 -0.283 -15.090 1.00 0.00 H new ATOM 0 HB3 LYS A 55 49.509 -1.570 -16.002 1.00 0.00 H new ATOM 0 HG2 LYS A 55 48.306 -2.159 -13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 55 48.819 -0.569 -13.232 1.00 0.00 H new ATOM 0 HD2 LYS A 55 47.303 -1.020 -15.827 1.00 0.00 H new ATOM 0 HD3 LYS A 55 46.494 -0.725 -14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 55 48.380 1.309 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 55 47.957 1.151 -16.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 46.516 2.723 -14.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 45.614 1.385 -15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 46.024 1.537 -13.821 1.00 0.00 H new ATOM 824 N GLN A 56 50.010 -4.036 -13.076 1.00 0.00 N ATOM 825 CA GLN A 56 49.402 -5.328 -12.781 1.00 0.00 C ATOM 826 C GLN A 56 48.130 -5.146 -11.966 1.00 0.00 C ATOM 827 O GLN A 56 47.990 -4.171 -11.228 1.00 0.00 O ATOM 828 CB GLN A 56 50.380 -6.219 -12.015 1.00 0.00 C ATOM 829 CG GLN A 56 51.688 -6.464 -12.749 1.00 0.00 C ATOM 830 CD GLN A 56 52.621 -7.385 -11.987 1.00 0.00 C ATOM 831 OE1 GLN A 56 52.740 -7.295 -10.765 1.00 0.00 O ATOM 832 NE2 GLN A 56 53.283 -8.282 -12.707 1.00 0.00 N ATOM 0 H GLN A 56 50.252 -3.487 -12.251 1.00 0.00 H new ATOM 0 HA GLN A 56 49.152 -5.808 -13.727 1.00 0.00 H new ATOM 0 HB2 GLN A 56 50.596 -5.760 -11.050 1.00 0.00 H new ATOM 0 HB3 GLN A 56 49.902 -7.178 -11.813 1.00 0.00 H new ATOM 0 HG2 GLN A 56 51.476 -6.896 -13.727 1.00 0.00 H new ATOM 0 HG3 GLN A 56 52.187 -5.511 -12.923 1.00 0.00 H new ATOM 0 HE21 GLN A 56 53.153 -8.321 -13.718 1.00 0.00 H new ATOM 0 HE22 GLN A 56 53.921 -8.933 -12.249 1.00 0.00 H new ATOM 841 N THR A 57 47.207 -6.090 -12.094 1.00 0.00 N ATOM 842 CA THR A 57 45.955 -6.025 -11.354 1.00 0.00 C ATOM 843 C THR A 57 46.229 -5.877 -9.862 1.00 0.00 C ATOM 844 O THR A 57 45.556 -5.114 -9.168 1.00 0.00 O ATOM 845 CB THR A 57 45.117 -7.279 -11.610 1.00 0.00 C ATOM 846 OG1 THR A 57 44.136 -7.440 -10.600 1.00 0.00 O ATOM 847 CG2 THR A 57 45.938 -8.550 -11.659 1.00 0.00 C ATOM 0 H THR A 57 47.301 -6.905 -12.700 1.00 0.00 H new ATOM 0 HA THR A 57 45.397 -5.154 -11.698 1.00 0.00 H new ATOM 0 HB THR A 57 44.658 -7.125 -12.587 1.00 0.00 H new ATOM 0 HG1 THR A 57 43.609 -8.246 -10.781 1.00 0.00 H new ATOM 0 HG21 THR A 57 45.282 -9.400 -11.844 1.00 0.00 H new ATOM 0 HG22 THR A 57 46.673 -8.478 -12.461 1.00 0.00 H new ATOM 0 HG23 THR A 57 46.452 -8.688 -10.708 1.00 0.00 H new ATOM 855 N GLY A 58 47.227 -6.610 -9.379 1.00 0.00 N ATOM 856 CA GLY A 58 47.582 -6.549 -7.974 1.00 0.00 C ATOM 857 C GLY A 58 48.659 -5.519 -7.690 1.00 0.00 C ATOM 858 O GLY A 58 49.009 -5.281 -6.534 1.00 0.00 O ATOM 0 H GLY A 58 47.797 -7.246 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 58 46.694 -6.312 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 58 47.927 -7.530 -7.647 1.00 0.00 H new ATOM 862 N ALA A 59 49.184 -4.901 -8.744 1.00 0.00 N ATOM 863 CA ALA A 59 50.222 -3.888 -8.595 1.00 0.00 C ATOM 864 C ALA A 59 49.648 -2.488 -8.785 1.00 0.00 C ATOM 865 O ALA A 59 48.810 -2.260 -9.657 1.00 0.00 O ATOM 866 CB ALA A 59 51.355 -4.138 -9.579 1.00 0.00 C ATOM 0 H ALA A 59 48.908 -5.084 -9.709 1.00 0.00 H new ATOM 0 HA ALA A 59 50.620 -3.956 -7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 59 52.121 -3.373 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 59 51.789 -5.120 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 59 50.968 -4.101 -10.597 1.00 0.00 H new ATOM 872 N CYS A 60 50.106 -1.553 -7.961 1.00 0.00 N ATOM 873 CA CYS A 60 49.643 -0.175 -8.029 1.00 0.00 C ATOM 874 C CYS A 60 50.569 0.657 -8.889 1.00 0.00 C ATOM 875 O CYS A 60 50.145 1.456 -9.724 1.00 0.00 O ATOM 876 CB CYS A 60 49.538 0.406 -6.609 1.00 0.00 C ATOM 877 SG CYS A 60 50.690 1.774 -6.227 1.00 0.00 S ATOM 0 H CYS A 60 50.801 -1.727 -7.235 1.00 0.00 H new ATOM 0 HA CYS A 60 48.655 -0.153 -8.489 1.00 0.00 H new ATOM 0 HB2 CYS A 60 48.519 0.760 -6.455 1.00 0.00 H new ATOM 0 HB3 CYS A 60 49.708 -0.398 -5.893 1.00 0.00 H new ATOM 882 N CYS A 61 51.834 0.452 -8.643 1.00 0.00 N ATOM 883 CA CYS A 61 52.896 1.163 -9.344 1.00 0.00 C ATOM 884 C CYS A 61 52.784 1.039 -10.853 1.00 0.00 C ATOM 885 O CYS A 61 52.176 0.108 -11.382 1.00 0.00 O ATOM 886 CB CYS A 61 54.266 0.670 -8.882 1.00 0.00 C ATOM 887 SG CYS A 61 54.818 1.396 -7.307 1.00 0.00 S ATOM 0 H CYS A 61 52.171 -0.215 -7.948 1.00 0.00 H new ATOM 0 HA CYS A 61 52.784 2.218 -9.095 1.00 0.00 H new ATOM 0 HB2 CYS A 61 54.235 -0.415 -8.780 1.00 0.00 H new ATOM 0 HB3 CYS A 61 55.002 0.897 -9.653 1.00 0.00 H new ATOM 892 N GLU A 62 53.376 2.014 -11.529 1.00 0.00 N ATOM 893 CA GLU A 62 53.366 2.083 -12.978 1.00 0.00 C ATOM 894 C GLU A 62 54.382 3.130 -13.431 1.00 0.00 C ATOM 895 O GLU A 62 54.386 4.258 -12.937 1.00 0.00 O ATOM 896 CB GLU A 62 51.957 2.438 -13.437 1.00 0.00 C ATOM 897 CG GLU A 62 51.709 2.278 -14.930 1.00 0.00 C ATOM 898 CD GLU A 62 50.284 2.631 -15.311 1.00 0.00 C ATOM 899 OE1 GLU A 62 49.601 3.298 -14.506 1.00 0.00 O ATOM 900 OE2 GLU A 62 49.843 2.228 -16.409 1.00 0.00 O ATOM 0 H GLU A 62 53.878 2.781 -11.083 1.00 0.00 H new ATOM 0 HA GLU A 62 53.644 1.126 -13.419 1.00 0.00 H new ATOM 0 HB2 GLU A 62 51.246 1.813 -12.897 1.00 0.00 H new ATOM 0 HB3 GLU A 62 51.749 3.471 -13.158 1.00 0.00 H new ATOM 0 HG2 GLU A 62 52.400 2.915 -15.482 1.00 0.00 H new ATOM 0 HG3 GLU A 62 51.919 1.250 -15.224 1.00 0.00 H new ATOM 907 N LYS A 63 55.264 2.740 -14.339 1.00 0.00 N ATOM 908 CA LYS A 63 56.317 3.637 -14.822 1.00 0.00 C ATOM 909 C LYS A 63 56.016 4.152 -16.232 1.00 0.00 C ATOM 910 O LYS A 63 54.880 4.512 -16.537 1.00 0.00 O ATOM 911 CB LYS A 63 57.665 2.906 -14.775 1.00 0.00 C ATOM 912 CG LYS A 63 58.854 3.827 -14.552 1.00 0.00 C ATOM 913 CD LYS A 63 60.156 3.044 -14.465 1.00 0.00 C ATOM 914 CE LYS A 63 61.286 3.904 -13.922 1.00 0.00 C ATOM 915 NZ LYS A 63 62.606 3.513 -14.491 1.00 0.00 N ATOM 0 H LYS A 63 55.276 1.811 -14.759 1.00 0.00 H new ATOM 0 HA LYS A 63 56.360 4.510 -14.171 1.00 0.00 H new ATOM 0 HB2 LYS A 63 57.638 2.163 -13.978 1.00 0.00 H new ATOM 0 HB3 LYS A 63 57.807 2.364 -15.710 1.00 0.00 H new ATOM 0 HG2 LYS A 63 58.915 4.548 -15.367 1.00 0.00 H new ATOM 0 HG3 LYS A 63 58.708 4.396 -13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 63 60.017 2.175 -13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 63 60.424 2.670 -15.453 1.00 0.00 H new ATOM 0 HE2 LYS A 63 61.088 4.951 -14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 63 61.319 3.817 -12.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 63.349 4.123 -14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 62.808 2.522 -14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 62.584 3.621 -15.525 1.00 0.00 H new ATOM 929 N CYS A 64 57.037 4.186 -17.094 1.00 0.00 N ATOM 930 CA CYS A 64 56.871 4.662 -18.470 1.00 0.00 C ATOM 931 C CYS A 64 57.180 3.578 -19.506 1.00 0.00 C ATOM 932 O CYS A 64 57.977 2.679 -19.242 1.00 0.00 O ATOM 933 CB CYS A 64 57.805 5.835 -18.727 1.00 0.00 C ATOM 934 SG CYS A 64 57.903 6.317 -20.480 1.00 0.00 S ATOM 0 H CYS A 64 57.985 3.890 -16.863 1.00 0.00 H new ATOM 0 HA CYS A 64 55.827 4.956 -18.575 1.00 0.00 H new ATOM 0 HB2 CYS A 64 57.469 6.691 -18.142 1.00 0.00 H new ATOM 0 HB3 CYS A 64 58.803 5.578 -18.373 1.00 0.00 H new ATOM 939 N LYS A 65 56.552 3.714 -20.690 1.00 0.00 N ATOM 940 CA LYS A 65 56.735 2.800 -21.836 1.00 0.00 C ATOM 941 C LYS A 65 55.436 2.133 -22.254 1.00 0.00 C ATOM 942 O LYS A 65 55.424 1.205 -23.065 1.00 0.00 O ATOM 943 CB LYS A 65 57.767 1.724 -21.563 1.00 0.00 C ATOM 944 CG LYS A 65 59.199 2.231 -21.574 1.00 0.00 C ATOM 945 CD LYS A 65 60.192 1.103 -21.350 1.00 0.00 C ATOM 946 CE LYS A 65 61.617 1.626 -21.279 1.00 0.00 C ATOM 947 NZ LYS A 65 62.080 2.154 -22.592 1.00 0.00 N ATOM 0 H LYS A 65 55.895 4.471 -20.881 1.00 0.00 H new ATOM 0 HA LYS A 65 57.091 3.433 -22.649 1.00 0.00 H new ATOM 0 HB2 LYS A 65 57.559 1.272 -20.593 1.00 0.00 H new ATOM 0 HB3 LYS A 65 57.664 0.937 -22.310 1.00 0.00 H new ATOM 0 HG2 LYS A 65 59.407 2.716 -22.528 1.00 0.00 H new ATOM 0 HG3 LYS A 65 59.324 2.987 -20.798 1.00 0.00 H new ATOM 0 HD2 LYS A 65 59.948 0.580 -20.425 1.00 0.00 H new ATOM 0 HD3 LYS A 65 60.109 0.377 -22.159 1.00 0.00 H new ATOM 0 HE2 LYS A 65 61.678 2.414 -20.529 1.00 0.00 H new ATOM 0 HE3 LYS A 65 62.282 0.826 -20.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 63.082 2.423 -22.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 61.967 1.421 -23.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 61.515 2.988 -22.850 1.00 0.00 H new ATOM 961 N GLY A 66 54.360 2.610 -21.692 1.00 0.00 N ATOM 962 CA GLY A 66 53.046 2.070 -21.990 1.00 0.00 C ATOM 963 C GLY A 66 52.518 2.536 -23.332 1.00 0.00 C ATOM 964 O GLY A 66 53.228 3.303 -24.015 1.00 0.00 O ATOM 965 OXT GLY A 66 51.395 2.131 -23.702 1.00 0.00 O ATOM 0 H GLY A 66 54.359 3.377 -21.019 1.00 0.00 H new ATOM 0 HA2 GLY A 66 53.093 0.981 -21.980 1.00 0.00 H new ATOM 0 HA3 GLY A 66 52.349 2.366 -21.206 1.00 0.00 H new TER 969 GLY A 66