USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 67 HIS :FLIP no HD1:sc= -0.178 F(o=-1.1,f=1) USER MOD Set 1.2: A 69 THR OG1 : rot 10:sc= 1.19 USER MOD Single : A 1 SER OG : rot -15:sc= 1.08 USER MOD Single : A 7 LYS NZ :NH3+ -116:sc= 0.186 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.4!) USER MOD Single : A 16 LYS NZ :NH3+ -135:sc= -0.153 (180deg=-0.921) USER MOD Single : A 17 SER OG : rot 180:sc= 0.051 USER MOD Single : A 19 ASN : amide:sc= -0.0443 K(o=-0.044,f=-1.9!) USER MOD Single : A 20 MET CE :methyl 179:sc= -1.67 (180deg=-1.68) USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.31 USER MOD Single : A 29 ASN : amide:sc= -9.17! C(o=-9.2!,f=-23!) USER MOD Single : A 31 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 33 HIS :FLIP no HE2:sc= 0.747 F(o=-4.6!,f=0.75) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= -0.0115 (180deg=-0.191) USER MOD Single : A 41 SER OG : rot 150:sc= -0.553! USER MOD Single : A 43 MET CE :methyl -141:sc= -3.1 (180deg=-6!) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.195 USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= -0.0864 (180deg=-0.513) USER MOD Single : A 57 ASN : amide:sc= -0.719 K(o=-0.72,f=-17!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 15.878 9.094 -11.745 1.00 0.00 C HETATM 2 O ACE A 0 14.800 9.127 -11.154 1.00 0.00 O HETATM 3 CH3 ACE A 0 16.323 10.253 -12.607 1.00 0.00 C HETATM 0 H1 ACE A 0 17.262 10.653 -12.223 1.00 0.00 H new HETATM 0 H2 ACE A 0 16.467 9.910 -13.632 1.00 0.00 H new HETATM 0 H3 ACE A 0 15.562 11.033 -12.589 1.00 0.00 H new ATOM 7 N SER A 1 16.733 8.073 -11.682 1.00 0.00 N ATOM 8 CA SER A 1 16.507 6.824 -10.885 1.00 0.00 C ATOM 9 C SER A 1 15.297 5.934 -11.347 1.00 0.00 C ATOM 10 O SER A 1 15.455 5.096 -12.238 1.00 0.00 O ATOM 11 CB SER A 1 16.643 7.091 -9.356 1.00 0.00 C ATOM 12 OG SER A 1 15.552 7.862 -8.847 1.00 0.00 O ATOM 0 H SER A 1 17.621 8.071 -12.184 1.00 0.00 H new ATOM 0 HA SER A 1 17.327 6.148 -11.125 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.694 6.140 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.579 7.615 -9.161 1.00 0.00 H new ATOM 0 HG SER A 1 15.061 8.266 -9.593 1.00 0.00 H new ATOM 18 N ARG A 2 14.093 6.119 -10.754 1.00 0.00 N ATOM 19 CA ARG A 2 12.813 5.517 -11.115 1.00 0.00 C ATOM 20 C ARG A 2 12.881 3.994 -11.051 1.00 0.00 C ATOM 21 O ARG A 2 13.032 3.325 -12.073 1.00 0.00 O ATOM 22 CB ARG A 2 12.396 5.966 -12.516 1.00 0.00 C ATOM 23 CG ARG A 2 12.280 7.476 -12.662 1.00 0.00 C ATOM 24 CD ARG A 2 11.021 7.870 -13.418 1.00 0.00 C ATOM 25 NE ARG A 2 9.830 7.801 -12.572 1.00 0.00 N ATOM 26 CZ ARG A 2 8.585 7.862 -13.039 1.00 0.00 C ATOM 27 NH1 ARG A 2 8.362 7.991 -14.342 1.00 0.00 N ATOM 28 NH2 ARG A 2 7.557 7.792 -12.203 1.00 0.00 N ATOM 0 H ARG A 2 13.998 6.742 -9.952 1.00 0.00 H new ATOM 0 HA ARG A 2 12.067 5.853 -10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 2 13.122 5.594 -13.239 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.437 5.511 -12.764 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.272 7.938 -11.675 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.155 7.860 -13.186 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.133 8.883 -13.805 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.894 7.212 -14.278 1.00 0.00 H new ATOM 0 HE ARG A 2 9.961 7.700 -11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.147 8.044 -14.991 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.406 8.037 -14.694 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.720 7.691 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.603 7.839 -12.562 1.00 0.00 H new ATOM 42 N ARG A 3 12.770 3.457 -9.841 1.00 0.00 N ATOM 43 CA ARG A 3 12.814 2.013 -9.630 1.00 0.00 C ATOM 44 C ARG A 3 12.526 1.675 -8.172 1.00 0.00 C ATOM 45 O ARG A 3 13.413 1.748 -7.321 1.00 0.00 O ATOM 46 CB ARG A 3 14.176 1.449 -10.042 1.00 0.00 C ATOM 47 CG ARG A 3 14.082 0.175 -10.867 1.00 0.00 C ATOM 48 CD ARG A 3 14.212 0.466 -12.354 1.00 0.00 C ATOM 49 NE ARG A 3 13.993 -0.728 -13.167 1.00 0.00 N ATOM 50 CZ ARG A 3 13.496 -0.707 -14.402 1.00 0.00 C ATOM 51 NH1 ARG A 3 13.167 0.444 -14.979 1.00 0.00 N ATOM 52 NH2 ARG A 3 13.328 -1.841 -15.068 1.00 0.00 N ATOM 0 H ARG A 3 12.648 4.002 -8.987 1.00 0.00 H new ATOM 0 HA ARG A 3 12.045 1.556 -10.253 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.715 2.204 -10.615 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.764 1.249 -9.146 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.866 -0.517 -10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.129 -0.316 -10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.493 1.234 -12.637 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.204 0.867 -12.559 1.00 0.00 H new ATOM 0 HE ARG A 3 14.236 -1.633 -12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.295 1.322 -14.475 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.787 0.450 -15.926 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.579 -2.729 -14.634 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.947 -1.825 -16.014 1.00 0.00 H new ATOM 66 N CYS A 4 11.281 1.310 -7.888 1.00 0.00 N ATOM 67 CA CYS A 4 10.878 0.966 -6.532 1.00 0.00 C ATOM 68 C CYS A 4 10.673 -0.532 -6.383 1.00 0.00 C ATOM 69 O CYS A 4 10.345 -1.226 -7.346 1.00 0.00 O ATOM 70 CB CYS A 4 9.603 1.722 -6.148 1.00 0.00 C ATOM 71 SG CYS A 4 9.748 3.533 -6.308 1.00 0.00 S ATOM 0 H CYS A 4 10.534 1.245 -8.580 1.00 0.00 H new ATOM 0 HA CYS A 4 11.680 1.263 -5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 4 8.782 1.375 -6.776 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.342 1.477 -5.119 1.00 0.00 H new ATOM 76 N PRO A 5 10.882 -1.055 -5.163 1.00 0.00 N ATOM 77 CA PRO A 5 10.732 -2.482 -4.889 1.00 0.00 C ATOM 78 C PRO A 5 9.357 -3.010 -5.278 1.00 0.00 C ATOM 79 O PRO A 5 8.374 -2.268 -5.286 1.00 0.00 O ATOM 80 CB PRO A 5 10.937 -2.590 -3.374 1.00 0.00 C ATOM 81 CG PRO A 5 11.718 -1.377 -3.006 1.00 0.00 C ATOM 82 CD PRO A 5 11.290 -0.300 -3.963 1.00 0.00 C ATOM 0 HA PRO A 5 11.439 -3.076 -5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.983 -2.621 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.475 -3.501 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.520 -1.084 -1.975 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.789 -1.564 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.468 0.292 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.104 0.392 -4.180 1.00 0.00 H new ATOM 89 N GLY A 6 9.294 -4.299 -5.595 1.00 0.00 N ATOM 90 CA GLY A 6 8.032 -4.907 -5.974 1.00 0.00 C ATOM 91 C GLY A 6 7.539 -4.434 -7.326 1.00 0.00 C ATOM 92 O GLY A 6 8.105 -3.515 -7.917 1.00 0.00 O ATOM 0 H GLY A 6 10.093 -4.933 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.146 -5.991 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.281 -4.678 -5.218 1.00 0.00 H new ATOM 96 N LYS A 7 6.478 -5.066 -7.810 1.00 0.00 N ATOM 97 CA LYS A 7 5.895 -4.715 -9.096 1.00 0.00 C ATOM 98 C LYS A 7 5.219 -3.344 -9.023 1.00 0.00 C ATOM 99 O LYS A 7 4.740 -2.937 -7.964 1.00 0.00 O ATOM 100 CB LYS A 7 4.920 -5.807 -9.522 1.00 0.00 C ATOM 101 CG LYS A 7 4.385 -5.610 -10.929 1.00 0.00 C ATOM 102 CD LYS A 7 3.704 -6.857 -11.502 1.00 0.00 C ATOM 103 CE LYS A 7 4.070 -8.128 -10.747 1.00 0.00 C ATOM 104 NZ LYS A 7 3.409 -9.329 -11.328 1.00 0.00 N ATOM 0 H LYS A 7 6.002 -5.828 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 7 6.680 -4.644 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.418 -6.775 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.085 -5.834 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.673 -4.785 -10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.206 -5.320 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.623 -6.721 -11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.983 -6.969 -12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.151 -8.263 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.781 -8.025 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.754 -9.736 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.881 -9.056 -12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.130 -10.035 -11.579 1.00 0.00 H new ATOM 118 N ASN A 8 5.221 -2.618 -10.146 1.00 0.00 N ATOM 119 CA ASN A 8 4.644 -1.270 -10.190 1.00 0.00 C ATOM 120 C ASN A 8 3.357 -1.199 -11.015 1.00 0.00 C ATOM 121 O ASN A 8 2.759 -0.135 -11.141 1.00 0.00 O ATOM 122 CB ASN A 8 5.671 -0.287 -10.757 1.00 0.00 C ATOM 123 CG ASN A 8 7.025 -0.415 -10.083 1.00 0.00 C ATOM 124 OD1 ASN A 8 7.120 -0.823 -8.925 1.00 0.00 O ATOM 125 ND2 ASN A 8 8.079 -0.061 -10.807 1.00 0.00 N ATOM 0 H ASN A 8 5.613 -2.938 -11.031 1.00 0.00 H new ATOM 0 HA ASN A 8 4.384 -1.002 -9.166 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.783 -0.459 -11.827 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.302 0.731 -10.635 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.016 -0.121 -10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.953 0.272 -11.763 1.00 0.00 H new ATOM 132 N ALA A 9 2.934 -2.318 -11.573 1.00 0.00 N ATOM 133 CA ALA A 9 1.717 -2.363 -12.375 1.00 0.00 C ATOM 134 C ALA A 9 1.213 -3.794 -12.483 1.00 0.00 C ATOM 135 O ALA A 9 1.951 -4.689 -12.892 1.00 0.00 O ATOM 136 CB ALA A 9 1.973 -1.784 -13.758 1.00 0.00 C ATOM 0 H ALA A 9 3.415 -3.213 -11.487 1.00 0.00 H new ATOM 0 HA ALA A 9 0.952 -1.760 -11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.055 -1.824 -14.345 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.298 -0.748 -13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.749 -2.364 -14.257 1.00 0.00 H new ATOM 142 N TRP A 10 -0.043 -4.014 -12.115 1.00 0.00 N ATOM 143 CA TRP A 10 -0.627 -5.349 -12.174 1.00 0.00 C ATOM 144 C TRP A 10 -1.735 -5.420 -13.223 1.00 0.00 C ATOM 145 O TRP A 10 -2.907 -5.593 -12.890 1.00 0.00 O ATOM 146 CB TRP A 10 -1.176 -5.757 -10.805 1.00 0.00 C ATOM 147 CG TRP A 10 -0.115 -5.984 -9.770 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.378 -7.186 -9.356 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.575 -4.985 -9.012 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.335 -6.996 -8.390 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.476 -5.654 -8.163 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.521 -3.592 -8.971 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.316 -4.974 -7.283 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.353 -2.915 -8.097 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.241 -3.607 -7.264 1.00 0.00 C ATOM 0 H TRP A 10 -0.675 -3.289 -11.774 1.00 0.00 H new ATOM 0 HA TRP A 10 0.162 -6.044 -12.461 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.856 -4.982 -10.451 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.763 -6.669 -10.916 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.062 -8.147 -9.733 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.856 -7.735 -7.918 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.159 -3.050 -9.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.001 -5.506 -6.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.317 -1.836 -8.057 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.879 -3.051 -6.593 1.00 0.00 H new ATOM 166 N PRO A 11 -1.381 -5.299 -14.513 1.00 0.00 N ATOM 167 CA PRO A 11 -2.357 -5.363 -15.604 1.00 0.00 C ATOM 168 C PRO A 11 -3.221 -6.615 -15.521 1.00 0.00 C ATOM 169 O PRO A 11 -4.402 -6.594 -15.875 1.00 0.00 O ATOM 170 CB PRO A 11 -1.493 -5.383 -16.875 1.00 0.00 C ATOM 171 CG PRO A 11 -0.098 -5.649 -16.410 1.00 0.00 C ATOM 172 CD PRO A 11 -0.014 -5.108 -15.013 1.00 0.00 C ATOM 0 HA PRO A 11 -3.056 -4.527 -15.575 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.830 -6.156 -17.566 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.555 -4.433 -17.406 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.122 -6.716 -16.428 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.629 -5.163 -17.061 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.717 -5.649 -14.412 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.279 -4.058 -15.002 1.00 0.00 H new ATOM 179 N GLU A 12 -2.627 -7.703 -15.043 1.00 0.00 N ATOM 180 CA GLU A 12 -3.340 -8.968 -14.906 1.00 0.00 C ATOM 181 C GLU A 12 -4.474 -8.870 -13.885 1.00 0.00 C ATOM 182 O GLU A 12 -5.289 -9.785 -13.769 1.00 0.00 O ATOM 183 CB GLU A 12 -2.374 -10.078 -14.508 1.00 0.00 C ATOM 184 CG GLU A 12 -1.697 -9.837 -13.177 1.00 0.00 C ATOM 185 CD GLU A 12 -0.245 -9.430 -13.326 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.025 -8.461 -14.068 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.621 -10.079 -12.702 1.00 0.00 O ATOM 0 H GLU A 12 -1.652 -7.734 -14.744 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.782 -9.204 -15.874 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.916 -11.023 -14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.613 -10.181 -15.281 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.235 -9.059 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.756 -10.743 -12.574 1.00 0.00 H new ATOM 194 N LEU A 13 -4.534 -7.760 -13.149 1.00 0.00 N ATOM 195 CA LEU A 13 -5.584 -7.571 -12.157 1.00 0.00 C ATOM 196 C LEU A 13 -6.850 -7.022 -12.805 1.00 0.00 C ATOM 197 O LEU A 13 -7.939 -7.124 -12.243 1.00 0.00 O ATOM 198 CB LEU A 13 -5.119 -6.635 -11.032 1.00 0.00 C ATOM 199 CG LEU A 13 -4.196 -7.281 -9.998 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.920 -6.317 -8.854 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.802 -8.574 -9.476 1.00 0.00 C ATOM 0 H LEU A 13 -3.873 -6.987 -13.222 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.808 -8.546 -11.724 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.603 -5.784 -11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.997 -6.243 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.249 -7.518 -10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.262 -6.793 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.441 -5.418 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.859 -6.048 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.131 -9.020 -8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.764 -8.362 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.946 -9.268 -10.304 1.00 0.00 H new ATOM 213 N VAL A 14 -6.706 -6.450 -14.000 1.00 0.00 N ATOM 214 CA VAL A 14 -7.847 -5.895 -14.719 1.00 0.00 C ATOM 215 C VAL A 14 -8.924 -6.958 -14.928 1.00 0.00 C ATOM 216 O VAL A 14 -8.715 -7.931 -15.653 1.00 0.00 O ATOM 217 CB VAL A 14 -7.427 -5.327 -16.088 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.615 -4.693 -16.798 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.294 -4.325 -15.929 1.00 0.00 C ATOM 0 H VAL A 14 -5.814 -6.360 -14.487 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.248 -5.085 -14.110 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.067 -6.152 -16.703 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.295 -4.299 -17.762 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.390 -5.444 -16.952 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.013 -3.882 -16.188 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.012 -3.936 -16.907 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.622 -3.503 -15.292 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.435 -4.817 -15.473 1.00 0.00 H new ATOM 229 N GLY A 15 -10.068 -6.771 -14.280 1.00 0.00 N ATOM 230 CA GLY A 15 -11.151 -7.726 -14.400 1.00 0.00 C ATOM 231 C GLY A 15 -11.316 -8.565 -13.147 1.00 0.00 C ATOM 232 O GLY A 15 -12.326 -9.249 -12.977 1.00 0.00 O ATOM 0 H GLY A 15 -10.264 -5.974 -13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.081 -7.195 -14.605 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.964 -8.380 -15.251 1.00 0.00 H new ATOM 236 N LYS A 16 -10.325 -8.507 -12.262 1.00 0.00 N ATOM 237 CA LYS A 16 -10.376 -9.263 -11.016 1.00 0.00 C ATOM 238 C LYS A 16 -11.054 -8.448 -9.920 1.00 0.00 C ATOM 239 O LYS A 16 -11.176 -7.229 -10.030 1.00 0.00 O ATOM 240 CB LYS A 16 -8.966 -9.658 -10.573 1.00 0.00 C ATOM 241 CG LYS A 16 -8.938 -10.834 -9.612 1.00 0.00 C ATOM 242 CD LYS A 16 -7.642 -11.622 -9.731 1.00 0.00 C ATOM 243 CE LYS A 16 -7.582 -12.406 -11.032 1.00 0.00 C ATOM 244 NZ LYS A 16 -6.667 -11.772 -12.020 1.00 0.00 N ATOM 0 H LYS A 16 -9.481 -7.947 -12.384 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.959 -10.167 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.373 -9.905 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.490 -8.800 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.053 -10.473 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.784 -11.491 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.794 -10.939 -9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.553 -12.307 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.247 -13.423 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.582 -12.479 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.123 -11.754 -12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.453 -10.799 -11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.784 -12.319 -12.076 1.00 0.00 H new ATOM 258 N SER A 17 -11.492 -9.122 -8.860 1.00 0.00 N ATOM 259 CA SER A 17 -12.154 -8.439 -7.753 1.00 0.00 C ATOM 260 C SER A 17 -11.193 -7.475 -7.070 1.00 0.00 C ATOM 261 O SER A 17 -10.029 -7.803 -6.841 1.00 0.00 O ATOM 262 CB SER A 17 -12.691 -9.448 -6.732 1.00 0.00 C ATOM 263 OG SER A 17 -11.718 -9.752 -5.747 1.00 0.00 O ATOM 0 H SER A 17 -11.402 -10.131 -8.744 1.00 0.00 H new ATOM 0 HA SER A 17 -12.993 -7.875 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.583 -9.044 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.991 -10.362 -7.244 1.00 0.00 H new ATOM 0 HG SER A 17 -12.089 -10.396 -5.109 1.00 0.00 H new ATOM 269 N GLY A 18 -11.685 -6.287 -6.742 1.00 0.00 N ATOM 270 CA GLY A 18 -10.852 -5.297 -6.087 1.00 0.00 C ATOM 271 C GLY A 18 -10.168 -5.846 -4.849 1.00 0.00 C ATOM 272 O GLY A 18 -9.073 -5.411 -4.494 1.00 0.00 O ATOM 0 H GLY A 18 -12.645 -5.991 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.097 -4.940 -6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.463 -4.437 -5.811 1.00 0.00 H new ATOM 276 N ASN A 19 -10.814 -6.809 -4.195 1.00 0.00 N ATOM 277 CA ASN A 19 -10.258 -7.415 -2.989 1.00 0.00 C ATOM 278 C ASN A 19 -9.046 -8.274 -3.325 1.00 0.00 C ATOM 279 O ASN A 19 -7.964 -8.096 -2.759 1.00 0.00 O ATOM 280 CB ASN A 19 -11.319 -8.263 -2.283 1.00 0.00 C ATOM 281 CG ASN A 19 -11.027 -8.446 -0.806 1.00 0.00 C ATOM 282 OD1 ASN A 19 -10.219 -7.721 -0.225 1.00 0.00 O ATOM 283 ND2 ASN A 19 -11.686 -9.420 -0.188 1.00 0.00 N ATOM 0 H ASN A 19 -11.719 -7.185 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.941 -6.614 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.295 -7.791 -2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.377 -9.240 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.531 -9.590 0.806 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.347 -9.998 -0.707 1.00 0.00 H new ATOM 290 N MET A 20 -9.234 -9.209 -4.247 1.00 0.00 N ATOM 291 CA MET A 20 -8.157 -10.096 -4.661 1.00 0.00 C ATOM 292 C MET A 20 -7.015 -9.293 -5.267 1.00 0.00 C ATOM 293 O MET A 20 -5.843 -9.569 -5.012 1.00 0.00 O ATOM 294 CB MET A 20 -8.674 -11.121 -5.674 1.00 0.00 C ATOM 295 CG MET A 20 -8.482 -12.564 -5.234 1.00 0.00 C ATOM 296 SD MET A 20 -9.837 -13.633 -5.753 1.00 0.00 S ATOM 297 CE MET A 20 -10.086 -13.077 -7.439 1.00 0.00 C ATOM 0 H MET A 20 -10.122 -9.372 -4.722 1.00 0.00 H new ATOM 0 HA MET A 20 -7.786 -10.625 -3.783 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.735 -10.942 -5.850 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.163 -10.969 -6.625 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.547 -12.944 -5.645 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.391 -12.600 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 20 -10.884 -13.659 -7.900 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.361 -12.022 -7.437 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.165 -13.211 -8.006 1.00 0.00 H new ATOM 307 N ALA A 21 -7.368 -8.290 -6.064 1.00 0.00 N ATOM 308 CA ALA A 21 -6.375 -7.436 -6.698 1.00 0.00 C ATOM 309 C ALA A 21 -5.525 -6.736 -5.647 1.00 0.00 C ATOM 310 O ALA A 21 -4.294 -6.792 -5.687 1.00 0.00 O ATOM 311 CB ALA A 21 -7.052 -6.419 -7.605 1.00 0.00 C ATOM 0 H ALA A 21 -8.334 -8.050 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.720 -8.059 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.296 -5.788 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.617 -6.940 -8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.728 -5.800 -7.016 1.00 0.00 H new ATOM 317 N ALA A 22 -6.190 -6.093 -4.690 1.00 0.00 N ATOM 318 CA ALA A 22 -5.487 -5.398 -3.620 1.00 0.00 C ATOM 319 C ALA A 22 -4.531 -6.347 -2.910 1.00 0.00 C ATOM 320 O ALA A 22 -3.373 -6.010 -2.660 1.00 0.00 O ATOM 321 CB ALA A 22 -6.474 -4.798 -2.626 1.00 0.00 C ATOM 0 H ALA A 22 -7.207 -6.040 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.909 -4.586 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.927 -4.284 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.122 -4.088 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.080 -5.592 -2.190 1.00 0.00 H new ATOM 327 N ALA A 23 -5.026 -7.541 -2.591 1.00 0.00 N ATOM 328 CA ALA A 23 -4.214 -8.544 -1.918 1.00 0.00 C ATOM 329 C ALA A 23 -3.025 -8.936 -2.784 1.00 0.00 C ATOM 330 O ALA A 23 -1.918 -9.136 -2.284 1.00 0.00 O ATOM 331 CB ALA A 23 -5.056 -9.766 -1.576 1.00 0.00 C ATOM 0 H ALA A 23 -5.983 -7.834 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.835 -8.117 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.434 -10.507 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.874 -9.472 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.463 -10.195 -2.492 1.00 0.00 H new ATOM 337 N THR A 24 -3.261 -9.030 -4.090 1.00 0.00 N ATOM 338 CA THR A 24 -2.209 -9.388 -5.034 1.00 0.00 C ATOM 339 C THR A 24 -1.071 -8.379 -4.973 1.00 0.00 C ATOM 340 O THR A 24 0.099 -8.753 -4.930 1.00 0.00 O ATOM 341 CB THR A 24 -2.770 -9.456 -6.454 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.895 -10.315 -6.508 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.764 -9.954 -7.470 1.00 0.00 C ATOM 0 H THR A 24 -4.172 -8.863 -4.518 1.00 0.00 H new ATOM 0 HA THR A 24 -1.822 -10.369 -4.760 1.00 0.00 H new ATOM 0 HB THR A 24 -3.043 -8.431 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.701 -9.813 -6.266 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.226 -9.978 -8.457 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.904 -9.285 -7.488 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.438 -10.958 -7.197 1.00 0.00 H new ATOM 351 N VAL A 25 -1.421 -7.098 -4.965 1.00 0.00 N ATOM 352 CA VAL A 25 -0.419 -6.039 -4.908 1.00 0.00 C ATOM 353 C VAL A 25 0.353 -6.075 -3.593 1.00 0.00 C ATOM 354 O VAL A 25 1.584 -6.060 -3.589 1.00 0.00 O ATOM 355 CB VAL A 25 -1.054 -4.645 -5.084 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.020 -3.565 -5.141 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.926 -4.608 -6.330 1.00 0.00 C ATOM 0 H VAL A 25 -2.386 -6.768 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 25 0.270 -6.219 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.687 -4.446 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.451 -2.590 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.595 -3.575 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.685 -3.757 -5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.365 -3.616 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.318 -4.832 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.720 -5.349 -6.240 1.00 0.00 H new ATOM 367 N GLU A 26 -0.369 -6.113 -2.478 1.00 0.00 N ATOM 368 CA GLU A 26 0.267 -6.139 -1.164 1.00 0.00 C ATOM 369 C GLU A 26 1.101 -7.401 -0.974 1.00 0.00 C ATOM 370 O GLU A 26 2.115 -7.385 -0.275 1.00 0.00 O ATOM 371 CB GLU A 26 -0.785 -6.037 -0.059 1.00 0.00 C ATOM 372 CG GLU A 26 -1.879 -5.025 -0.355 1.00 0.00 C ATOM 373 CD GLU A 26 -2.140 -4.085 0.806 1.00 0.00 C ATOM 374 OE1 GLU A 26 -1.891 -4.487 1.962 1.00 0.00 O ATOM 375 OE2 GLU A 26 -2.595 -2.949 0.557 1.00 0.00 O ATOM 0 H GLU A 26 -1.389 -6.126 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 26 0.934 -5.279 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.238 -7.017 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.294 -5.766 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.600 -4.442 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.799 -5.554 -0.602 1.00 0.00 H new ATOM 382 N ARG A 27 0.669 -8.496 -1.588 1.00 0.00 N ATOM 383 CA ARG A 27 1.380 -9.763 -1.472 1.00 0.00 C ATOM 384 C ARG A 27 2.594 -9.801 -2.397 1.00 0.00 C ATOM 385 O ARG A 27 3.721 -10.017 -1.947 1.00 0.00 O ATOM 386 CB ARG A 27 0.445 -10.930 -1.788 1.00 0.00 C ATOM 387 CG ARG A 27 -0.324 -11.438 -0.577 1.00 0.00 C ATOM 388 CD ARG A 27 0.073 -12.862 -0.220 1.00 0.00 C ATOM 389 NE ARG A 27 -0.410 -13.826 -1.205 1.00 0.00 N ATOM 390 CZ ARG A 27 0.020 -15.085 -1.283 1.00 0.00 C ATOM 391 NH1 ARG A 27 0.940 -15.532 -0.437 1.00 0.00 N ATOM 392 NH2 ARG A 27 -0.471 -15.897 -2.209 1.00 0.00 N ATOM 0 H ARG A 27 -0.168 -8.532 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 27 1.731 -9.856 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.265 -10.619 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.029 -11.749 -2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.138 -10.783 0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.394 -11.398 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.159 -12.929 -0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.327 -13.115 0.762 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.118 -13.518 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.321 -14.911 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.266 -16.496 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.178 -15.558 -2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.142 -16.861 -2.269 1.00 0.00 H new ATOM 406 N GLU A 28 2.362 -9.592 -3.689 1.00 0.00 N ATOM 407 CA GLU A 28 3.444 -9.604 -4.668 1.00 0.00 C ATOM 408 C GLU A 28 4.434 -8.482 -4.388 1.00 0.00 C ATOM 409 O GLU A 28 5.622 -8.602 -4.682 1.00 0.00 O ATOM 410 CB GLU A 28 2.885 -9.478 -6.089 1.00 0.00 C ATOM 411 CG GLU A 28 2.263 -10.766 -6.608 1.00 0.00 C ATOM 412 CD GLU A 28 1.881 -10.689 -8.075 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.914 -9.579 -8.641 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.547 -11.743 -8.657 1.00 0.00 O ATOM 0 H GLU A 28 1.438 -9.413 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 28 3.969 -10.556 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.135 -8.687 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.687 -9.173 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.966 -11.587 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.376 -10.998 -6.019 1.00 0.00 H new ATOM 421 N ASN A 29 3.939 -7.395 -3.807 1.00 0.00 N ATOM 422 CA ASN A 29 4.783 -6.253 -3.478 1.00 0.00 C ATOM 423 C ASN A 29 4.634 -5.872 -2.010 1.00 0.00 C ATOM 424 O ASN A 29 3.942 -4.910 -1.671 1.00 0.00 O ATOM 425 CB ASN A 29 4.432 -5.062 -4.372 1.00 0.00 C ATOM 426 CG ASN A 29 5.305 -3.853 -4.092 1.00 0.00 C ATOM 427 OD1 ASN A 29 5.822 -3.689 -2.983 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.483 -3.005 -5.103 1.00 0.00 N ATOM 0 H ASN A 29 2.957 -7.281 -3.554 1.00 0.00 H new ATOM 0 HA ASN A 29 5.821 -6.534 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.541 -5.351 -5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.386 -4.794 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.067 -2.178 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.035 -3.182 -6.002 1.00 0.00 H new ATOM 435 N ARG A 30 5.305 -6.622 -1.143 1.00 0.00 N ATOM 436 CA ARG A 30 5.261 -6.365 0.293 1.00 0.00 C ATOM 437 C ARG A 30 5.896 -5.017 0.646 1.00 0.00 C ATOM 438 O ARG A 30 5.897 -4.616 1.811 1.00 0.00 O ATOM 439 CB ARG A 30 5.968 -7.489 1.053 1.00 0.00 C ATOM 440 CG ARG A 30 5.016 -8.418 1.790 1.00 0.00 C ATOM 441 CD ARG A 30 5.728 -9.663 2.290 1.00 0.00 C ATOM 442 NE ARG A 30 5.017 -10.288 3.406 1.00 0.00 N ATOM 443 CZ ARG A 30 4.602 -11.556 3.417 1.00 0.00 C ATOM 444 NH1 ARG A 30 4.825 -12.351 2.377 1.00 0.00 N ATOM 445 NH2 ARG A 30 3.962 -12.031 4.476 1.00 0.00 N ATOM 0 H ARG A 30 5.888 -7.415 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 30 4.213 -6.330 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.562 -8.074 0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.662 -7.051 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.570 -7.890 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.200 -8.706 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.823 -10.379 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.738 -9.402 2.604 1.00 0.00 H new ATOM 0 HE ARG A 30 4.826 -9.717 4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.318 -11.994 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.503 -13.319 2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.788 -11.428 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.644 -13.000 4.487 1.00 0.00 H new ATOM 459 N ASN A 31 6.436 -4.316 -0.353 1.00 0.00 N ATOM 460 CA ASN A 31 7.066 -3.023 -0.119 1.00 0.00 C ATOM 461 C ASN A 31 6.074 -1.878 -0.320 1.00 0.00 C ATOM 462 O ASN A 31 6.371 -0.727 0.003 1.00 0.00 O ATOM 463 CB ASN A 31 8.263 -2.846 -1.050 1.00 0.00 C ATOM 464 CG ASN A 31 9.069 -1.603 -0.730 1.00 0.00 C ATOM 465 OD1 ASN A 31 9.891 -1.600 0.185 1.00 0.00 O ATOM 466 ND2 ASN A 31 8.840 -0.538 -1.490 1.00 0.00 N ATOM 0 H ASN A 31 6.448 -4.623 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 31 7.407 -2.998 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.908 -3.722 -0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.913 -2.792 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.355 0.327 -1.325 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.149 -0.585 -2.239 1.00 0.00 H new ATOM 473 N VAL A 32 4.898 -2.197 -0.856 1.00 0.00 N ATOM 474 CA VAL A 32 3.874 -1.188 -1.099 1.00 0.00 C ATOM 475 C VAL A 32 2.488 -1.727 -0.764 1.00 0.00 C ATOM 476 O VAL A 32 2.319 -2.925 -0.539 1.00 0.00 O ATOM 477 CB VAL A 32 3.904 -0.711 -2.570 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.339 -0.464 -3.018 1.00 0.00 C ATOM 479 CG2 VAL A 32 3.228 -1.719 -3.490 1.00 0.00 C ATOM 0 H VAL A 32 4.633 -3.143 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 32 4.090 -0.340 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 32 3.349 0.225 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.344 -0.129 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.790 0.302 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.911 -1.388 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.265 -1.356 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.746 -2.676 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.189 -1.848 -3.188 1.00 0.00 H new ATOM 489 N HIS A 33 1.497 -0.841 -0.738 1.00 0.00 N ATOM 490 CA HIS A 33 0.126 -1.248 -0.441 1.00 0.00 C ATOM 491 C HIS A 33 -0.860 -0.625 -1.429 1.00 0.00 C ATOM 492 O HIS A 33 -0.612 0.448 -1.989 1.00 0.00 O ATOM 493 CB HIS A 33 -0.249 -0.904 1.009 1.00 0.00 C ATOM 494 CG HIS A 33 -0.577 0.538 1.250 1.00 0.00 C ATOM 495 ND1 HIS A 33 -0.273 1.650 0.543 1.00 0.00 N flip ATOM 496 CD2 HIS A 33 -1.298 0.968 2.343 1.00 0.00 C flip ATOM 497 CE1 HIS A 33 -0.812 2.720 1.213 1.00 0.00 C flip ATOM 498 NE2 HIS A 33 -1.425 2.282 2.297 1.00 0.00 N flip ATOM 0 H HIS A 33 1.615 0.156 -0.917 1.00 0.00 H new ATOM 0 HA HIS A 33 0.067 -2.331 -0.553 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.106 -1.510 1.301 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.578 -1.187 1.660 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.258 1.687 -0.327 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.697 0.330 3.117 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.745 3.753 0.904 1.00 0.00 H new ATOM 507 N ALA A 34 -1.966 -1.324 -1.663 1.00 0.00 N ATOM 508 CA ALA A 34 -2.977 -0.857 -2.599 1.00 0.00 C ATOM 509 C ALA A 34 -4.289 -0.538 -1.894 1.00 0.00 C ATOM 510 O ALA A 34 -4.738 -1.281 -1.020 1.00 0.00 O ATOM 511 CB ALA A 34 -3.202 -1.896 -3.690 1.00 0.00 C ATOM 0 H ALA A 34 -2.183 -2.215 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.612 0.065 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.961 -1.536 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.269 -2.067 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.537 -2.830 -3.239 1.00 0.00 H new ATOM 517 N ILE A 35 -4.901 0.571 -2.292 1.00 0.00 N ATOM 518 CA ILE A 35 -6.170 0.999 -1.718 1.00 0.00 C ATOM 519 C ILE A 35 -7.312 0.730 -2.688 1.00 0.00 C ATOM 520 O ILE A 35 -7.245 1.108 -3.857 1.00 0.00 O ATOM 521 CB ILE A 35 -6.153 2.498 -1.376 1.00 0.00 C ATOM 522 CG1 ILE A 35 -4.898 2.849 -0.576 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.408 2.881 -0.607 1.00 0.00 C ATOM 524 CD1 ILE A 35 -3.755 3.347 -1.433 1.00 0.00 C ATOM 0 H ILE A 35 -4.536 1.193 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.319 0.428 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.135 3.067 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.148 3.612 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.571 1.968 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.381 3.945 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.287 2.666 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.457 2.307 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.898 3.577 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.478 2.577 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.064 4.247 -1.965 1.00 0.00 H new ATOM 536 N VAL A 36 -8.361 0.073 -2.211 1.00 0.00 N ATOM 537 CA VAL A 36 -9.500 -0.232 -3.056 1.00 0.00 C ATOM 538 C VAL A 36 -10.413 0.978 -3.196 1.00 0.00 C ATOM 539 O VAL A 36 -10.810 1.592 -2.205 1.00 0.00 O ATOM 540 CB VAL A 36 -10.299 -1.428 -2.505 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.497 -1.739 -3.393 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.400 -2.648 -2.363 1.00 0.00 C ATOM 0 H VAL A 36 -8.444 -0.256 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.113 -0.497 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.675 -1.161 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -12.044 -2.587 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.154 -0.870 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.152 -1.983 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.980 -3.484 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.991 -2.914 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.584 -2.421 -1.677 1.00 0.00 H new ATOM 552 N LEU A 37 -10.726 1.318 -4.440 1.00 0.00 N ATOM 553 CA LEU A 37 -11.576 2.462 -4.738 1.00 0.00 C ATOM 554 C LEU A 37 -12.343 2.234 -6.034 1.00 0.00 C ATOM 555 O LEU A 37 -11.819 1.645 -6.975 1.00 0.00 O ATOM 556 CB LEU A 37 -10.727 3.724 -4.865 1.00 0.00 C ATOM 557 CG LEU A 37 -9.333 3.506 -5.460 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.379 3.609 -6.974 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.351 4.506 -4.893 1.00 0.00 C ATOM 0 H LEU A 37 -10.401 0.813 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.288 2.583 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.262 4.444 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.619 4.172 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.998 2.504 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.380 3.451 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.055 2.851 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.735 4.598 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.366 4.335 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.683 5.517 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.295 4.388 -3.811 1.00 0.00 H new ATOM 571 N LYS A 38 -13.584 2.698 -6.082 1.00 0.00 N ATOM 572 CA LYS A 38 -14.405 2.529 -7.275 1.00 0.00 C ATOM 573 C LYS A 38 -14.242 3.703 -8.236 1.00 0.00 C ATOM 574 O LYS A 38 -13.858 4.806 -7.837 1.00 0.00 O ATOM 575 CB LYS A 38 -15.876 2.368 -6.885 1.00 0.00 C ATOM 576 CG LYS A 38 -16.444 3.568 -6.142 1.00 0.00 C ATOM 577 CD LYS A 38 -16.902 3.196 -4.739 1.00 0.00 C ATOM 578 CE LYS A 38 -15.909 3.662 -3.685 1.00 0.00 C ATOM 579 NZ LYS A 38 -15.102 2.534 -3.142 1.00 0.00 N ATOM 0 H LYS A 38 -14.043 3.191 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.068 1.628 -7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.465 2.197 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.983 1.481 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.688 4.351 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.284 3.979 -6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.877 3.642 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.026 2.115 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.243 4.408 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.446 4.149 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.290 2.911 -2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.692 1.960 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.760 1.943 -3.926 1.00 0.00 H new ATOM 593 N GLU A 39 -14.545 3.455 -9.510 1.00 0.00 N ATOM 594 CA GLU A 39 -14.439 4.480 -10.545 1.00 0.00 C ATOM 595 C GLU A 39 -15.057 5.798 -10.084 1.00 0.00 C ATOM 596 O GLU A 39 -16.245 5.860 -9.763 1.00 0.00 O ATOM 597 CB GLU A 39 -15.125 4.009 -11.829 1.00 0.00 C ATOM 598 CG GLU A 39 -14.434 4.486 -13.098 1.00 0.00 C ATOM 599 CD GLU A 39 -15.221 5.560 -13.824 1.00 0.00 C ATOM 600 OE1 GLU A 39 -16.427 5.345 -14.074 1.00 0.00 O ATOM 601 OE2 GLU A 39 -14.632 6.612 -14.147 1.00 0.00 O ATOM 0 H GLU A 39 -14.867 2.549 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.380 4.648 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.162 2.920 -11.833 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.156 4.363 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.447 4.873 -12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.283 3.638 -13.766 1.00 0.00 H new ATOM 608 N GLY A 40 -14.245 6.848 -10.055 1.00 0.00 N ATOM 609 CA GLY A 40 -14.732 8.145 -9.633 1.00 0.00 C ATOM 610 C GLY A 40 -14.376 8.465 -8.194 1.00 0.00 C ATOM 611 O GLY A 40 -14.787 9.498 -7.665 1.00 0.00 O ATOM 0 H GLY A 40 -13.259 6.823 -10.316 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.317 8.914 -10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.815 8.178 -9.751 1.00 0.00 H new ATOM 615 N SER A 41 -13.616 7.580 -7.552 1.00 0.00 N ATOM 616 CA SER A 41 -13.218 7.791 -6.168 1.00 0.00 C ATOM 617 C SER A 41 -12.204 8.929 -6.061 1.00 0.00 C ATOM 618 O SER A 41 -11.818 9.529 -7.065 1.00 0.00 O ATOM 619 CB SER A 41 -12.626 6.504 -5.585 1.00 0.00 C ATOM 620 OG SER A 41 -11.987 6.749 -4.344 1.00 0.00 O ATOM 0 H SER A 41 -13.267 6.716 -7.968 1.00 0.00 H new ATOM 0 HA SER A 41 -14.105 8.065 -5.597 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.416 5.766 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.910 6.079 -6.288 1.00 0.00 H new ATOM 0 HG SER A 41 -12.047 5.949 -3.782 1.00 0.00 H new ATOM 626 N ALA A 42 -11.765 9.205 -4.835 1.00 0.00 N ATOM 627 CA ALA A 42 -10.780 10.247 -4.584 1.00 0.00 C ATOM 628 C ALA A 42 -9.391 9.643 -4.670 1.00 0.00 C ATOM 629 O ALA A 42 -8.942 8.950 -3.758 1.00 0.00 O ATOM 630 CB ALA A 42 -11.007 10.891 -3.224 1.00 0.00 C ATOM 0 H ALA A 42 -12.080 8.716 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.882 11.029 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.259 11.666 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.002 11.335 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.923 10.134 -2.444 1.00 0.00 H new ATOM 636 N MET A 43 -8.738 9.870 -5.794 1.00 0.00 N ATOM 637 CA MET A 43 -7.423 9.320 -6.035 1.00 0.00 C ATOM 638 C MET A 43 -6.447 10.404 -6.439 1.00 0.00 C ATOM 639 O MET A 43 -6.475 10.898 -7.565 1.00 0.00 O ATOM 640 CB MET A 43 -7.503 8.237 -7.118 1.00 0.00 C ATOM 641 CG MET A 43 -8.574 8.498 -8.165 1.00 0.00 C ATOM 642 SD MET A 43 -9.102 7.003 -9.030 1.00 0.00 S ATOM 643 CE MET A 43 -7.554 6.118 -9.174 1.00 0.00 C ATOM 0 H MET A 43 -9.103 10.437 -6.559 1.00 0.00 H new ATOM 0 HA MET A 43 -7.059 8.872 -5.110 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.535 8.158 -7.613 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.698 7.275 -6.644 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.438 8.957 -7.685 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.195 9.216 -8.892 1.00 0.00 H new ATOM 0 HE1 MET A 43 -7.502 5.631 -10.148 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.724 6.818 -9.073 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.491 5.365 -8.389 1.00 0.00 H new ATOM 653 N THR A 44 -5.581 10.773 -5.505 1.00 0.00 N ATOM 654 CA THR A 44 -4.590 11.798 -5.766 1.00 0.00 C ATOM 655 C THR A 44 -3.767 11.426 -6.988 1.00 0.00 C ATOM 656 O THR A 44 -3.596 10.241 -7.295 1.00 0.00 O ATOM 657 CB THR A 44 -3.678 11.993 -4.556 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.652 10.827 -3.754 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.093 13.150 -3.674 1.00 0.00 C ATOM 0 H THR A 44 -5.547 10.378 -4.565 1.00 0.00 H new ATOM 0 HA THR A 44 -5.108 12.738 -5.957 1.00 0.00 H new ATOM 0 HB THR A 44 -2.693 12.209 -4.969 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.194 11.021 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.404 13.233 -2.834 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.073 14.074 -4.252 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.102 12.978 -3.300 1.00 0.00 H new ATOM 667 N LYS A 45 -3.268 12.440 -7.684 1.00 0.00 N ATOM 668 CA LYS A 45 -2.466 12.228 -8.877 1.00 0.00 C ATOM 669 C LYS A 45 -1.003 12.013 -8.517 1.00 0.00 C ATOM 670 O LYS A 45 -0.265 11.345 -9.240 1.00 0.00 O ATOM 671 CB LYS A 45 -2.600 13.414 -9.824 1.00 0.00 C ATOM 672 CG LYS A 45 -3.823 13.340 -10.726 1.00 0.00 C ATOM 673 CD LYS A 45 -3.436 13.103 -12.177 1.00 0.00 C ATOM 674 CE LYS A 45 -2.693 11.789 -12.348 1.00 0.00 C ATOM 675 NZ LYS A 45 -3.530 10.621 -11.957 1.00 0.00 N ATOM 0 H LYS A 45 -3.407 13.420 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.834 11.332 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.646 14.332 -9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.705 13.476 -10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.477 12.536 -10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.390 14.267 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.332 13.099 -12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.810 13.924 -12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.382 11.681 -13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.786 11.804 -11.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.111 10.156 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.491 10.945 -11.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.574 9.946 -12.747 1.00 0.00 H new ATOM 689 N ASP A 46 -0.591 12.585 -7.388 1.00 0.00 N ATOM 690 CA ASP A 46 0.785 12.459 -6.920 1.00 0.00 C ATOM 691 C ASP A 46 1.257 11.011 -7.002 1.00 0.00 C ATOM 692 O ASP A 46 0.534 10.091 -6.620 1.00 0.00 O ATOM 693 CB ASP A 46 0.905 12.965 -5.481 1.00 0.00 C ATOM 694 CG ASP A 46 0.514 14.423 -5.346 1.00 0.00 C ATOM 695 OD1 ASP A 46 -0.285 14.902 -6.178 1.00 0.00 O ATOM 696 OD2 ASP A 46 1.008 15.087 -4.410 1.00 0.00 O ATOM 0 H ASP A 46 -1.192 13.141 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 46 1.419 13.067 -7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.271 12.360 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.931 12.834 -5.137 1.00 0.00 H new ATOM 701 N PHE A 47 2.467 10.818 -7.510 1.00 0.00 N ATOM 702 CA PHE A 47 3.032 9.483 -7.655 1.00 0.00 C ATOM 703 C PHE A 47 3.608 8.970 -6.334 1.00 0.00 C ATOM 704 O PHE A 47 4.358 9.675 -5.659 1.00 0.00 O ATOM 705 CB PHE A 47 4.115 9.488 -8.734 1.00 0.00 C ATOM 706 CG PHE A 47 4.885 8.206 -8.814 1.00 0.00 C ATOM 707 CD1 PHE A 47 4.445 7.170 -9.618 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.040 8.029 -8.070 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.143 5.983 -9.682 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.740 6.842 -8.127 1.00 0.00 C ATOM 711 CZ PHE A 47 6.292 5.818 -8.936 1.00 0.00 C ATOM 0 H PHE A 47 3.077 11.571 -7.829 1.00 0.00 H new ATOM 0 HA PHE A 47 2.228 8.809 -7.952 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.652 9.686 -9.701 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.807 10.307 -8.539 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.545 7.292 -10.202 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.396 8.829 -7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.791 5.183 -10.316 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.637 6.714 -7.539 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.840 4.889 -8.985 1.00 0.00 H new ATOM 721 N ARG A 48 3.256 7.733 -5.985 1.00 0.00 N ATOM 722 CA ARG A 48 3.735 7.101 -4.755 1.00 0.00 C ATOM 723 C ARG A 48 3.905 5.595 -4.955 1.00 0.00 C ATOM 724 O ARG A 48 2.925 4.869 -5.135 1.00 0.00 O ATOM 725 CB ARG A 48 2.769 7.365 -3.596 1.00 0.00 C ATOM 726 CG ARG A 48 2.294 8.806 -3.510 1.00 0.00 C ATOM 727 CD ARG A 48 2.030 9.226 -2.073 1.00 0.00 C ATOM 728 NE ARG A 48 1.210 8.255 -1.353 1.00 0.00 N ATOM 729 CZ ARG A 48 0.516 8.542 -0.252 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.528 9.772 0.247 1.00 0.00 N ATOM 731 NH2 ARG A 48 -0.193 7.596 0.349 1.00 0.00 N ATOM 0 H ARG A 48 2.636 7.144 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 48 4.704 7.537 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.902 6.712 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.258 7.097 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.044 9.463 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.383 8.925 -4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.980 9.352 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.532 10.195 -2.066 1.00 0.00 H new ATOM 0 HE ARG A 48 1.166 7.302 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.070 10.504 -0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.005 9.986 1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.207 6.650 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.724 7.815 1.192 1.00 0.00 H new ATOM 745 N CYS A 49 5.153 5.134 -4.937 1.00 0.00 N ATOM 746 CA CYS A 49 5.455 3.714 -5.121 1.00 0.00 C ATOM 747 C CYS A 49 4.809 2.859 -4.036 1.00 0.00 C ATOM 748 O CYS A 49 4.405 1.726 -4.288 1.00 0.00 O ATOM 749 CB CYS A 49 6.968 3.485 -5.114 1.00 0.00 C ATOM 750 SG CYS A 49 7.835 4.158 -6.566 1.00 0.00 S ATOM 0 H CYS A 49 5.974 5.723 -4.797 1.00 0.00 H new ATOM 0 HA CYS A 49 5.044 3.416 -6.086 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.387 3.935 -4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.161 2.414 -5.054 1.00 0.00 H new ATOM 755 N ASP A 50 4.719 3.398 -2.830 1.00 0.00 N ATOM 756 CA ASP A 50 4.129 2.662 -1.721 1.00 0.00 C ATOM 757 C ASP A 50 2.609 2.693 -1.772 1.00 0.00 C ATOM 758 O ASP A 50 1.954 2.119 -0.910 1.00 0.00 O ATOM 759 CB ASP A 50 4.598 3.233 -0.384 1.00 0.00 C ATOM 760 CG ASP A 50 4.226 4.695 -0.210 1.00 0.00 C ATOM 761 OD1 ASP A 50 4.380 5.467 -1.180 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.779 5.064 0.894 1.00 0.00 O ATOM 0 H ASP A 50 5.044 4.336 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 50 4.459 1.627 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.161 2.652 0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.680 3.126 -0.307 1.00 0.00 H new ATOM 767 N ARG A 51 2.049 3.364 -2.774 1.00 0.00 N ATOM 768 CA ARG A 51 0.603 3.460 -2.898 1.00 0.00 C ATOM 769 C ARG A 51 0.131 3.010 -4.272 1.00 0.00 C ATOM 770 O ARG A 51 0.638 3.465 -5.297 1.00 0.00 O ATOM 771 CB ARG A 51 0.157 4.899 -2.644 1.00 0.00 C ATOM 772 CG ARG A 51 -1.339 5.053 -2.439 1.00 0.00 C ATOM 773 CD ARG A 51 -1.754 6.513 -2.485 1.00 0.00 C ATOM 774 NE ARG A 51 -1.734 7.047 -3.846 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.559 8.335 -4.140 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.390 9.230 -3.174 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.559 8.731 -5.406 1.00 0.00 N ATOM 0 H ARG A 51 2.572 3.845 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 51 0.156 2.799 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.675 5.279 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.464 5.518 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.873 4.496 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.623 4.622 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.756 6.618 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.085 7.100 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.862 6.393 -4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.393 8.934 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.257 10.214 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.693 8.050 -6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.425 9.717 -5.632 1.00 0.00 H new ATOM 791 N VAL A 52 -0.851 2.118 -4.284 1.00 0.00 N ATOM 792 CA VAL A 52 -1.413 1.614 -5.530 1.00 0.00 C ATOM 793 C VAL A 52 -2.933 1.752 -5.515 1.00 0.00 C ATOM 794 O VAL A 52 -3.608 1.128 -4.697 1.00 0.00 O ATOM 795 CB VAL A 52 -1.035 0.137 -5.772 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.586 -0.354 -7.105 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.476 -0.041 -5.715 1.00 0.00 C ATOM 0 H VAL A 52 -1.276 1.728 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.995 2.210 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.483 -0.464 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.306 -1.397 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.672 -0.266 -7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.174 0.250 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.726 -1.088 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.944 0.575 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.841 0.262 -4.734 1.00 0.00 H new ATOM 807 N TRP A 53 -3.469 2.568 -6.423 1.00 0.00 N ATOM 808 CA TRP A 53 -4.916 2.780 -6.497 1.00 0.00 C ATOM 809 C TRP A 53 -5.575 1.606 -7.208 1.00 0.00 C ATOM 810 O TRP A 53 -5.104 1.159 -8.254 1.00 0.00 O ATOM 811 CB TRP A 53 -5.257 4.068 -7.275 1.00 0.00 C ATOM 812 CG TRP A 53 -4.947 5.374 -6.587 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.420 6.493 -7.167 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.165 5.707 -5.215 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.305 7.500 -6.240 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.744 7.035 -5.030 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.669 5.007 -4.130 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -4.815 7.672 -3.794 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.741 5.633 -2.903 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.314 6.955 -2.741 1.00 0.00 C ATOM 0 H TRP A 53 -2.928 3.090 -7.113 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.287 2.870 -5.476 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.719 4.046 -8.223 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.321 4.052 -7.512 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.135 6.574 -8.205 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.951 8.439 -6.423 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.001 3.986 -4.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.488 8.694 -3.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.133 5.094 -2.054 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.379 7.418 -1.767 1.00 0.00 H new ATOM 831 N VAL A 54 -6.665 1.108 -6.636 1.00 0.00 N ATOM 832 CA VAL A 54 -7.384 -0.009 -7.219 1.00 0.00 C ATOM 833 C VAL A 54 -8.779 0.441 -7.646 1.00 0.00 C ATOM 834 O VAL A 54 -9.696 0.500 -6.827 1.00 0.00 O ATOM 835 CB VAL A 54 -7.480 -1.177 -6.217 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.527 -2.198 -6.647 1.00 0.00 C ATOM 837 CG2 VAL A 54 -6.123 -1.844 -6.049 1.00 0.00 C ATOM 0 H VAL A 54 -7.067 1.463 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.838 -0.358 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.793 -0.767 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.567 -3.007 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.502 -1.715 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.261 -2.603 -7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.207 -2.666 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.785 -2.229 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.403 -1.115 -5.677 1.00 0.00 H new ATOM 847 N ILE A 55 -8.922 0.780 -8.925 1.00 0.00 N ATOM 848 CA ILE A 55 -10.198 1.247 -9.457 1.00 0.00 C ATOM 849 C ILE A 55 -11.098 0.087 -9.849 1.00 0.00 C ATOM 850 O ILE A 55 -10.743 -0.739 -10.690 1.00 0.00 O ATOM 851 CB ILE A 55 -10.003 2.165 -10.684 1.00 0.00 C ATOM 852 CG1 ILE A 55 -8.997 3.279 -10.376 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.335 2.758 -11.123 1.00 0.00 C ATOM 854 CD1 ILE A 55 -7.552 2.864 -10.551 1.00 0.00 C ATOM 0 H ILE A 55 -8.169 0.740 -9.612 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.673 1.816 -8.657 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.605 1.562 -11.500 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.202 4.130 -11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.146 3.617 -9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.179 3.402 -11.988 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.022 1.954 -11.388 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.759 3.343 -10.307 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.901 3.705 -10.315 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.328 2.033 -9.882 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.385 2.554 -11.583 1.00 0.00 H new ATOM 866 N VAL A 56 -12.273 0.041 -9.234 1.00 0.00 N ATOM 867 CA VAL A 56 -13.240 -1.006 -9.512 1.00 0.00 C ATOM 868 C VAL A 56 -14.591 -0.414 -9.898 1.00 0.00 C ATOM 869 O VAL A 56 -14.863 0.758 -9.640 1.00 0.00 O ATOM 870 CB VAL A 56 -13.429 -1.941 -8.302 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.138 -2.683 -7.984 1.00 0.00 C ATOM 872 CG2 VAL A 56 -13.912 -1.156 -7.091 1.00 0.00 C ATOM 0 H VAL A 56 -12.577 0.721 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.845 -1.585 -10.346 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.189 -2.680 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.296 -3.337 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.840 -3.280 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.353 -1.964 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.040 -1.833 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.178 -0.392 -6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.865 -0.680 -7.322 1.00 0.00 H new ATOM 882 N ASN A 57 -15.435 -1.235 -10.511 1.00 0.00 N ATOM 883 CA ASN A 57 -16.759 -0.792 -10.927 1.00 0.00 C ATOM 884 C ASN A 57 -17.762 -0.929 -9.786 1.00 0.00 C ATOM 885 O ASN A 57 -17.412 -1.353 -8.685 1.00 0.00 O ATOM 886 CB ASN A 57 -17.233 -1.587 -12.145 1.00 0.00 C ATOM 887 CG ASN A 57 -17.390 -3.067 -11.851 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.498 -3.478 -10.696 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.405 -3.878 -12.903 1.00 0.00 N ATOM 0 H ASN A 57 -15.226 -2.209 -10.730 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.691 0.261 -11.201 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.187 -1.185 -12.488 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.521 -1.456 -12.960 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.509 -4.884 -12.770 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.312 -3.495 -13.844 1.00 0.00 H new ATOM 896 N ASP A 58 -19.009 -0.558 -10.056 1.00 0.00 N ATOM 897 CA ASP A 58 -20.066 -0.631 -9.053 1.00 0.00 C ATOM 898 C ASP A 58 -20.202 -2.043 -8.483 1.00 0.00 C ATOM 899 O ASP A 58 -20.751 -2.230 -7.397 1.00 0.00 O ATOM 900 CB ASP A 58 -21.400 -0.189 -9.657 1.00 0.00 C ATOM 901 CG ASP A 58 -21.466 1.309 -9.884 1.00 0.00 C ATOM 902 OD1 ASP A 58 -21.629 2.053 -8.893 1.00 0.00 O ATOM 903 OD2 ASP A 58 -21.354 1.739 -11.051 1.00 0.00 O ATOM 0 H ASP A 58 -19.313 -0.203 -10.963 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.794 0.040 -8.238 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.554 -0.704 -10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.212 -0.489 -8.995 1.00 0.00 H new ATOM 908 N HIS A 59 -19.712 -3.034 -9.221 1.00 0.00 N ATOM 909 CA HIS A 59 -19.794 -4.422 -8.782 1.00 0.00 C ATOM 910 C HIS A 59 -18.591 -4.802 -7.924 1.00 0.00 C ATOM 911 O HIS A 59 -18.666 -5.720 -7.107 1.00 0.00 O ATOM 912 CB HIS A 59 -19.889 -5.355 -9.993 1.00 0.00 C ATOM 913 CG HIS A 59 -21.168 -6.129 -10.048 1.00 0.00 C ATOM 914 ND1 HIS A 59 -21.444 -7.189 -9.210 1.00 0.00 N ATOM 915 CD2 HIS A 59 -22.256 -5.986 -10.841 1.00 0.00 C ATOM 916 CE1 HIS A 59 -22.645 -7.667 -9.487 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.158 -6.954 -10.473 1.00 0.00 N ATOM 0 H HIS A 59 -19.255 -2.902 -10.123 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.692 -4.530 -8.174 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.790 -4.766 -10.905 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.052 -6.052 -9.972 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.390 -5.248 -11.618 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.125 -8.498 -8.992 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.076 -7.099 -10.893 1.00 0.00 H new ATOM 926 N GLY A 60 -17.482 -4.094 -8.113 1.00 0.00 N ATOM 927 CA GLY A 60 -16.283 -4.380 -7.350 1.00 0.00 C ATOM 928 C GLY A 60 -15.206 -5.031 -8.198 1.00 0.00 C ATOM 929 O GLY A 60 -14.298 -5.674 -7.674 1.00 0.00 O ATOM 0 H GLY A 60 -17.393 -3.328 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.897 -3.455 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.533 -5.036 -6.516 1.00 0.00 H new ATOM 933 N VAL A 61 -15.305 -4.852 -9.514 1.00 0.00 N ATOM 934 CA VAL A 61 -14.330 -5.415 -10.440 1.00 0.00 C ATOM 935 C VAL A 61 -13.309 -4.355 -10.826 1.00 0.00 C ATOM 936 O VAL A 61 -13.666 -3.201 -11.030 1.00 0.00 O ATOM 937 CB VAL A 61 -15.011 -5.954 -11.716 1.00 0.00 C ATOM 938 CG1 VAL A 61 -13.996 -6.636 -12.622 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.143 -6.907 -11.360 1.00 0.00 C ATOM 0 H VAL A 61 -16.052 -4.321 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.834 -6.245 -9.937 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.436 -5.109 -12.258 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.498 -7.008 -13.515 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.226 -5.920 -12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.536 -7.469 -12.091 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.609 -7.275 -12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.746 -7.748 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.886 -6.382 -10.760 1.00 0.00 H new ATOM 949 N VAL A 62 -12.041 -4.738 -10.912 1.00 0.00 N ATOM 950 CA VAL A 62 -10.994 -3.787 -11.270 1.00 0.00 C ATOM 951 C VAL A 62 -11.077 -3.423 -12.749 1.00 0.00 C ATOM 952 O VAL A 62 -10.832 -4.259 -13.619 1.00 0.00 O ATOM 953 CB VAL A 62 -9.591 -4.335 -10.950 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.528 -3.284 -11.237 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.515 -4.793 -9.501 1.00 0.00 C ATOM 0 H VAL A 62 -11.714 -5.689 -10.741 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.156 -2.892 -10.669 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.403 -5.196 -11.592 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.543 -3.690 -11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.567 -3.006 -12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.712 -2.403 -10.622 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.516 -5.177 -9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.724 -3.951 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.250 -5.580 -9.329 1.00 0.00 H new ATOM 965 N THR A 63 -11.440 -2.173 -13.024 1.00 0.00 N ATOM 966 CA THR A 63 -11.570 -1.700 -14.397 1.00 0.00 C ATOM 967 C THR A 63 -10.266 -1.094 -14.908 1.00 0.00 C ATOM 968 O THR A 63 -9.969 -1.159 -16.100 1.00 0.00 O ATOM 969 CB THR A 63 -12.697 -0.671 -14.503 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.440 0.460 -13.684 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.051 -1.220 -14.109 1.00 0.00 C ATOM 0 H THR A 63 -11.649 -1.471 -12.314 1.00 0.00 H new ATOM 0 HA THR A 63 -11.809 -2.562 -15.019 1.00 0.00 H new ATOM 0 HB THR A 63 -12.724 -0.393 -15.557 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.175 1.102 -13.773 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.804 -0.438 -14.208 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.308 -2.055 -14.760 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.018 -1.563 -13.075 1.00 0.00 H new ATOM 979 N SER A 64 -9.494 -0.499 -14.006 1.00 0.00 N ATOM 980 CA SER A 64 -8.229 0.119 -14.382 1.00 0.00 C ATOM 981 C SER A 64 -7.047 -0.705 -13.890 1.00 0.00 C ATOM 982 O SER A 64 -7.131 -1.379 -12.866 1.00 0.00 O ATOM 983 CB SER A 64 -8.138 1.541 -13.827 1.00 0.00 C ATOM 984 OG SER A 64 -6.905 2.149 -14.176 1.00 0.00 O ATOM 0 H SER A 64 -9.721 -0.432 -13.014 1.00 0.00 H new ATOM 0 HA SER A 64 -8.192 0.160 -15.471 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.964 2.139 -14.213 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.241 1.518 -12.742 1.00 0.00 H new ATOM 0 HG SER A 64 -6.873 3.058 -13.810 1.00 0.00 H new ATOM 990 N VAL A 65 -5.946 -0.637 -14.629 1.00 0.00 N ATOM 991 CA VAL A 65 -4.733 -1.370 -14.283 1.00 0.00 C ATOM 992 C VAL A 65 -4.140 -0.875 -12.965 1.00 0.00 C ATOM 993 O VAL A 65 -3.479 0.162 -12.933 1.00 0.00 O ATOM 994 CB VAL A 65 -3.671 -1.222 -15.381 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.499 -2.158 -15.129 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.279 -1.464 -16.754 1.00 0.00 C ATOM 0 H VAL A 65 -5.868 -0.077 -15.478 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.015 -2.418 -14.181 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.294 -0.200 -15.356 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.759 -2.036 -15.920 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.045 -1.921 -14.167 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.852 -3.189 -15.119 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.509 -1.354 -17.517 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.691 -2.472 -16.797 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.073 -0.739 -16.933 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.344 -1.614 -11.859 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.800 -1.230 -10.555 1.00 0.00 C ATOM 1008 C PRO A 66 -2.284 -1.118 -10.592 1.00 0.00 C ATOM 1009 O PRO A 66 -1.576 -2.115 -10.492 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.236 -2.366 -9.621 1.00 0.00 C ATOM 1011 CG PRO A 66 -4.572 -3.502 -10.524 1.00 0.00 C ATOM 1012 CD PRO A 66 -5.088 -2.882 -11.789 1.00 0.00 C ATOM 0 HA PRO A 66 -4.159 -0.252 -10.233 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.439 -2.635 -8.928 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.096 -2.073 -9.019 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.694 -4.118 -10.720 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.322 -4.151 -10.073 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.894 -3.513 -12.657 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.165 -2.717 -11.749 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.794 0.101 -10.753 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.366 0.354 -10.815 1.00 0.00 C ATOM 1021 C HIS A 67 0.065 1.365 -9.758 1.00 0.00 C ATOM 1022 O HIS A 67 -0.735 2.167 -9.278 1.00 0.00 O ATOM 1023 CB HIS A 67 0.019 0.867 -12.204 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.623 2.176 -12.559 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -1.541 2.925 -11.898 1.00 0.00 N flip ATOM 1026 CD2 HIS A 67 -0.334 2.868 -13.717 1.00 0.00 C flip ATOM 1027 CE1 HIS A 67 -1.783 4.040 -12.660 1.00 0.00 C flip ATOM 1028 NE2 HIS A 67 -1.044 3.984 -13.751 1.00 0.00 N flip ATOM 0 H HIS A 67 -2.372 0.937 -10.844 1.00 0.00 H new ATOM 0 HA HIS A 67 0.147 -0.587 -10.619 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.102 0.977 -12.254 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.260 0.121 -12.948 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.363 2.549 -14.477 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.468 4.835 -12.407 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.023 4.682 -14.494 1.00 0.00 H new ATOM 1037 N ILE A 68 1.344 1.320 -9.418 1.00 0.00 N ATOM 1038 CA ILE A 68 1.926 2.224 -8.439 1.00 0.00 C ATOM 1039 C ILE A 68 1.581 3.675 -8.777 1.00 0.00 C ATOM 1040 O ILE A 68 2.002 4.203 -9.806 1.00 0.00 O ATOM 1041 CB ILE A 68 3.464 2.011 -8.378 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.847 1.290 -7.087 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.230 3.318 -8.508 1.00 0.00 C ATOM 1044 CD1 ILE A 68 5.331 1.015 -6.964 1.00 0.00 C ATOM 0 H ILE A 68 2.008 0.655 -9.814 1.00 0.00 H new ATOM 0 HA ILE A 68 1.508 2.006 -7.456 1.00 0.00 H new ATOM 0 HB ILE A 68 3.742 1.391 -9.230 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.525 1.891 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.305 0.346 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.301 3.119 -8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.991 3.787 -9.463 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.949 3.987 -7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.529 0.501 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.655 0.388 -7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.879 1.957 -6.985 1.00 0.00 H new ATOM 1056 N THR A 69 0.795 4.306 -7.911 1.00 0.00 N ATOM 1057 CA THR A 69 0.383 5.690 -8.122 1.00 0.00 C ATOM 1058 C THR A 69 -0.109 6.314 -6.819 1.00 0.00 C ATOM 1059 O THR A 69 0.698 6.989 -6.147 1.00 0.00 O ATOM 1060 CB THR A 69 -0.714 5.753 -9.195 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.153 5.626 -10.490 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.526 7.035 -9.173 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.297 6.124 -6.483 1.00 0.00 O ATOM 0 H THR A 69 0.431 3.882 -7.058 1.00 0.00 H new ATOM 0 HA THR A 69 1.246 6.260 -8.465 1.00 0.00 H new ATOM 0 HB THR A 69 -1.382 4.924 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.788 5.363 -10.414 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.279 7.002 -9.960 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.017 7.138 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.866 7.887 -9.338 1.00 0.00 H new TER 1071 THR A 69