USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 538 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 21 LYS NZ :NH3+ 162:sc= 0.589 (180deg=-0.0598) USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.258 USER MOD Single : A 30 LYS NZ :NH3+ 133:sc= 1.06 (180deg=-0.727) USER MOD Single : A 31 SER OG : rot 141:sc= -0.461 USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -0.309 (180deg=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ -150:sc= -1.71! (180deg=-3.07!) USER MOD Single : A 41 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.84) USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= -0.728! (180deg=-5.16!) USER MOD Single : A 47 GLN : amide:sc= -0.167 K(o=-0.17,f=-9.5!) USER MOD Single : A 55 THR OG1 : rot 98:sc= -0.0296 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 59 MET CE :methyl 168:sc= -1.19 (180deg=-1.5) USER MOD Single : A 61 TYR OH : rot -8:sc= 0.282 USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.0236 (180deg=-0.405) USER MOD Single : A 75 ASN : amide:sc= -4.4! C(o=-4.4!,f=-7!) USER MOD Single : A 78 GLN : amide:sc= -0.11 K(o=-0.11,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -10.625 -31.605 5.933 1.00 0.00 N ATOM 20 CA LYS A 21 -10.661 -30.611 7.038 1.00 0.00 C ATOM 21 C LYS A 21 -9.306 -30.035 7.432 1.00 0.00 C ATOM 22 O LYS A 21 -8.686 -30.307 8.439 1.00 0.00 O ATOM 23 CB LYS A 21 -11.337 -31.255 8.277 1.00 0.00 C ATOM 24 CG LYS A 21 -11.560 -30.112 9.324 1.00 0.00 C ATOM 25 CD LYS A 21 -12.655 -30.509 10.337 1.00 0.00 C ATOM 26 CE LYS A 21 -12.754 -29.482 11.468 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.981 -28.118 10.906 1.00 0.00 N ATOM 0 HA LYS A 21 -11.234 -29.764 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.285 -31.716 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.708 -32.042 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.628 -29.906 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.846 -29.193 8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.615 -30.588 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.432 -31.492 10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.570 -29.747 12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.839 -29.492 12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.345 -27.491 11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.083 -27.738 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.673 -28.172 10.131 1.00 0.00 H new ATOM 41 N THR A 22 -8.885 -29.196 6.545 1.00 0.00 N ATOM 42 CA THR A 22 -7.648 -28.404 6.736 1.00 0.00 C ATOM 43 C THR A 22 -8.236 -27.001 6.877 1.00 0.00 C ATOM 44 O THR A 22 -7.623 -26.044 6.455 1.00 0.00 O ATOM 45 CB THR A 22 -6.697 -28.527 5.481 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.453 -28.339 4.287 1.00 0.00 O ATOM 47 CG2 THR A 22 -6.172 -29.951 5.322 1.00 0.00 C ATOM 0 H THR A 22 -9.363 -29.018 5.662 1.00 0.00 H new ATOM 0 HA THR A 22 -7.024 -28.713 7.575 1.00 0.00 H new ATOM 0 HB THR A 22 -5.901 -27.797 5.629 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.901 -28.570 3.511 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.521 -30.003 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.610 -30.233 6.212 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.010 -30.635 5.190 1.00 0.00 H new ATOM 55 N GLU A 23 -9.419 -26.982 7.480 1.00 0.00 N ATOM 56 CA GLU A 23 -10.241 -25.757 7.805 1.00 0.00 C ATOM 57 C GLU A 23 -10.977 -25.848 9.166 1.00 0.00 C ATOM 58 O GLU A 23 -11.212 -26.931 9.665 1.00 0.00 O ATOM 59 CB GLU A 23 -11.261 -25.523 6.632 1.00 0.00 C ATOM 60 CG GLU A 23 -12.174 -26.740 6.173 1.00 0.00 C ATOM 61 CD GLU A 23 -13.402 -27.137 7.009 1.00 0.00 C ATOM 62 OE1 GLU A 23 -13.234 -27.498 8.159 1.00 0.00 O ATOM 63 OE2 GLU A 23 -14.466 -27.054 6.414 1.00 0.00 O ATOM 0 H GLU A 23 -9.877 -27.842 7.781 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.561 -24.911 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.920 -24.705 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.696 -25.185 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.525 -26.520 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.532 -27.618 6.102 1.00 0.00 H new ATOM 70 N TRP A 24 -11.304 -24.727 9.757 1.00 0.00 N ATOM 71 CA TRP A 24 -12.074 -24.754 11.055 1.00 0.00 C ATOM 72 C TRP A 24 -13.149 -23.680 11.192 1.00 0.00 C ATOM 73 O TRP A 24 -13.140 -22.818 12.057 1.00 0.00 O ATOM 74 CB TRP A 24 -11.044 -24.682 12.207 1.00 0.00 C ATOM 75 CG TRP A 24 -10.409 -26.020 12.371 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.907 -26.883 13.235 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.349 -26.526 11.765 1.00 0.00 C ATOM 78 NE1 TRP A 24 -10.094 -27.923 13.121 1.00 0.00 N ATOM 79 CE2 TRP A 24 -9.110 -27.790 12.239 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.569 -25.948 10.799 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -8.046 -28.471 11.710 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.517 -26.638 10.284 1.00 0.00 C ATOM 83 CH2 TRP A 24 -7.256 -27.904 10.742 1.00 0.00 C ATOM 0 H TRP A 24 -11.077 -23.796 9.406 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.644 -25.683 11.086 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.286 -23.929 11.989 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.534 -24.381 13.133 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.767 -26.770 13.878 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -10.216 -28.771 13.675 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.788 -24.950 10.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.826 -29.469 12.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.893 -26.194 9.522 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.422 -28.459 10.338 1.00 0.00 H new ATOM 94 N PRO A 25 -14.089 -23.807 10.290 1.00 0.00 N ATOM 95 CA PRO A 25 -15.227 -22.867 10.197 1.00 0.00 C ATOM 96 C PRO A 25 -16.125 -22.880 11.446 1.00 0.00 C ATOM 97 O PRO A 25 -16.945 -22.001 11.635 1.00 0.00 O ATOM 98 CB PRO A 25 -15.868 -23.314 8.889 1.00 0.00 C ATOM 99 CG PRO A 25 -15.609 -24.822 8.827 1.00 0.00 C ATOM 100 CD PRO A 25 -14.167 -24.897 9.266 1.00 0.00 C ATOM 0 HA PRO A 25 -14.962 -21.810 10.179 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.936 -23.094 8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.426 -22.800 8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.270 -25.379 9.491 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.754 -25.222 7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.921 -25.871 9.689 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.480 -24.726 8.437 1.00 0.00 H new ATOM 108 N GLU A 26 -15.933 -23.872 12.276 1.00 0.00 N ATOM 109 CA GLU A 26 -16.705 -23.997 13.545 1.00 0.00 C ATOM 110 C GLU A 26 -16.086 -22.988 14.549 1.00 0.00 C ATOM 111 O GLU A 26 -16.700 -22.585 15.517 1.00 0.00 O ATOM 112 CB GLU A 26 -16.548 -25.401 14.127 1.00 0.00 C ATOM 113 CG GLU A 26 -16.687 -26.574 13.095 1.00 0.00 C ATOM 114 CD GLU A 26 -15.488 -26.693 12.155 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.399 -26.336 12.566 1.00 0.00 O ATOM 116 OE2 GLU A 26 -15.656 -27.145 11.045 1.00 0.00 O ATOM 0 H GLU A 26 -15.256 -24.619 12.121 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.762 -23.805 13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.570 -25.472 14.603 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.294 -25.537 14.910 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.811 -27.512 13.636 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.591 -26.424 12.504 1.00 0.00 H new ATOM 123 N LEU A 27 -14.868 -22.599 14.275 1.00 0.00 N ATOM 124 CA LEU A 27 -14.128 -21.668 15.173 1.00 0.00 C ATOM 125 C LEU A 27 -14.384 -20.186 14.865 1.00 0.00 C ATOM 126 O LEU A 27 -14.139 -19.346 15.715 1.00 0.00 O ATOM 127 CB LEU A 27 -12.623 -22.051 15.052 1.00 0.00 C ATOM 128 CG LEU A 27 -12.395 -23.534 15.450 1.00 0.00 C ATOM 129 CD1 LEU A 27 -10.909 -23.866 15.415 1.00 0.00 C ATOM 130 CD2 LEU A 27 -12.859 -23.734 16.910 1.00 0.00 C ATOM 0 H LEU A 27 -14.346 -22.894 13.450 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.481 -21.778 16.198 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.283 -21.889 14.029 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.026 -21.402 15.693 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.946 -24.168 14.756 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.762 -24.909 15.696 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.524 -23.704 14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.376 -23.223 16.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.704 -24.773 17.202 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.283 -23.082 17.567 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.918 -23.488 16.992 1.00 0.00 H new ATOM 142 N VAL A 28 -14.854 -19.880 13.688 1.00 0.00 N ATOM 143 CA VAL A 28 -15.185 -18.450 13.354 1.00 0.00 C ATOM 144 C VAL A 28 -16.057 -17.886 14.503 1.00 0.00 C ATOM 145 O VAL A 28 -17.027 -18.501 14.900 1.00 0.00 O ATOM 146 CB VAL A 28 -15.948 -18.429 12.017 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.217 -16.961 11.610 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.092 -19.075 10.899 1.00 0.00 C ATOM 0 H VAL A 28 -15.026 -20.551 12.939 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.288 -17.838 13.252 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.880 -18.981 12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.757 -16.939 10.664 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.815 -16.474 12.380 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.269 -16.435 11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.644 -19.053 9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.161 -18.519 10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.867 -20.108 11.164 1.00 0.00 H new ATOM 158 N GLY A 29 -15.692 -16.736 15.002 1.00 0.00 N ATOM 159 CA GLY A 29 -16.432 -16.152 16.175 1.00 0.00 C ATOM 160 C GLY A 29 -15.681 -16.391 17.495 1.00 0.00 C ATOM 161 O GLY A 29 -16.039 -15.835 18.513 1.00 0.00 O ATOM 0 H GLY A 29 -14.917 -16.172 14.654 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.569 -15.081 16.023 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.426 -16.595 16.236 1.00 0.00 H new ATOM 165 N LYS A 30 -14.670 -17.224 17.457 1.00 0.00 N ATOM 166 CA LYS A 30 -13.844 -17.527 18.680 1.00 0.00 C ATOM 167 C LYS A 30 -12.423 -16.976 18.661 1.00 0.00 C ATOM 168 O LYS A 30 -11.919 -16.666 17.609 1.00 0.00 O ATOM 169 CB LYS A 30 -13.723 -19.037 18.842 1.00 0.00 C ATOM 170 CG LYS A 30 -15.116 -19.692 18.928 1.00 0.00 C ATOM 171 CD LYS A 30 -15.819 -19.160 20.217 1.00 0.00 C ATOM 172 CE LYS A 30 -17.178 -19.789 20.382 1.00 0.00 C ATOM 173 NZ LYS A 30 -16.941 -21.237 20.633 1.00 0.00 N ATOM 0 H LYS A 30 -14.373 -17.719 16.616 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.372 -17.038 19.499 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.171 -19.455 18.000 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.152 -19.266 19.742 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.706 -19.450 18.044 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.025 -20.778 18.963 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.203 -19.379 21.089 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.919 -18.076 20.161 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.719 -19.334 21.212 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.785 -19.644 19.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.518 -21.548 21.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.204 -21.783 19.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.935 -21.392 20.847 1.00 0.00 H new ATOM 187 N SER A 31 -11.828 -16.898 19.818 1.00 0.00 N ATOM 188 CA SER A 31 -10.422 -16.445 19.968 1.00 0.00 C ATOM 189 C SER A 31 -9.488 -17.483 19.530 1.00 0.00 C ATOM 190 O SER A 31 -9.729 -18.671 19.384 1.00 0.00 O ATOM 191 CB SER A 31 -10.168 -16.100 21.433 1.00 0.00 C ATOM 192 OG SER A 31 -10.748 -17.200 22.143 1.00 0.00 O ATOM 0 H SER A 31 -12.280 -17.140 20.699 1.00 0.00 H new ATOM 0 HA SER A 31 -10.263 -15.566 19.344 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.103 -16.004 21.643 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.634 -15.154 21.709 1.00 0.00 H new ATOM 0 HG SER A 31 -10.178 -17.434 22.905 1.00 0.00 H new ATOM 198 N VAL A 32 -8.347 -16.913 19.338 1.00 0.00 N ATOM 199 CA VAL A 32 -7.290 -17.698 18.766 1.00 0.00 C ATOM 200 C VAL A 32 -6.895 -18.861 19.656 1.00 0.00 C ATOM 201 O VAL A 32 -6.799 -19.977 19.182 1.00 0.00 O ATOM 202 CB VAL A 32 -6.229 -16.630 18.483 1.00 0.00 C ATOM 203 CG1 VAL A 32 -5.567 -16.064 19.752 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.127 -17.185 17.576 1.00 0.00 C ATOM 0 H VAL A 32 -8.119 -15.943 19.557 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.537 -18.242 17.854 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.766 -15.817 17.993 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.827 -15.314 19.473 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.327 -15.606 20.386 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.077 -16.871 20.298 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.385 -16.409 17.389 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.649 -18.035 18.063 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.562 -17.507 16.630 1.00 0.00 H new ATOM 214 N GLU A 33 -6.699 -18.628 20.921 1.00 0.00 N ATOM 215 CA GLU A 33 -6.319 -19.781 21.776 1.00 0.00 C ATOM 216 C GLU A 33 -7.484 -20.767 21.916 1.00 0.00 C ATOM 217 O GLU A 33 -7.258 -21.964 21.969 1.00 0.00 O ATOM 218 CB GLU A 33 -5.830 -19.190 23.124 1.00 0.00 C ATOM 219 CG GLU A 33 -4.664 -18.146 22.855 1.00 0.00 C ATOM 220 CD GLU A 33 -3.568 -18.648 21.894 1.00 0.00 C ATOM 221 OE1 GLU A 33 -3.759 -18.635 20.690 1.00 0.00 O ATOM 222 OE2 GLU A 33 -2.529 -19.052 22.380 1.00 0.00 O ATOM 0 H GLU A 33 -6.781 -17.724 21.387 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.515 -20.371 21.335 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.657 -18.702 23.640 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.474 -19.988 23.775 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.098 -17.233 22.447 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.203 -17.882 23.807 1.00 0.00 H new ATOM 229 N GLU A 34 -8.690 -20.259 21.939 1.00 0.00 N ATOM 230 CA GLU A 34 -9.897 -21.161 22.049 1.00 0.00 C ATOM 231 C GLU A 34 -9.889 -22.036 20.775 1.00 0.00 C ATOM 232 O GLU A 34 -9.960 -23.251 20.869 1.00 0.00 O ATOM 233 CB GLU A 34 -11.172 -20.263 22.158 1.00 0.00 C ATOM 234 CG GLU A 34 -12.461 -21.040 22.707 1.00 0.00 C ATOM 235 CD GLU A 34 -13.138 -21.990 21.709 1.00 0.00 C ATOM 236 OE1 GLU A 34 -12.586 -23.069 21.586 1.00 0.00 O ATOM 237 OE2 GLU A 34 -14.157 -21.594 21.154 1.00 0.00 O ATOM 0 H GLU A 34 -8.900 -19.262 21.887 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.885 -21.805 22.929 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.958 -19.422 22.817 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.399 -19.849 21.176 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.170 -21.614 23.587 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.195 -20.304 23.035 1.00 0.00 H new ATOM 244 N ALA A 35 -9.780 -21.423 19.620 1.00 0.00 N ATOM 245 CA ALA A 35 -9.740 -22.219 18.359 1.00 0.00 C ATOM 246 C ALA A 35 -8.514 -23.161 18.295 1.00 0.00 C ATOM 247 O ALA A 35 -8.654 -24.311 17.923 1.00 0.00 O ATOM 248 CB ALA A 35 -9.761 -21.186 17.203 1.00 0.00 C ATOM 0 H ALA A 35 -9.718 -20.412 19.499 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.595 -22.891 18.293 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.733 -21.709 16.247 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.672 -20.590 17.264 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.893 -20.532 17.284 1.00 0.00 H new ATOM 254 N LYS A 36 -7.342 -22.694 18.657 1.00 0.00 N ATOM 255 CA LYS A 36 -6.117 -23.550 18.620 1.00 0.00 C ATOM 256 C LYS A 36 -6.444 -24.872 19.230 1.00 0.00 C ATOM 257 O LYS A 36 -6.205 -25.920 18.669 1.00 0.00 O ATOM 258 CB LYS A 36 -4.944 -22.977 19.446 1.00 0.00 C ATOM 259 CG LYS A 36 -4.211 -21.798 18.818 1.00 0.00 C ATOM 260 CD LYS A 36 -3.074 -21.492 19.823 1.00 0.00 C ATOM 261 CE LYS A 36 -2.116 -20.477 19.261 1.00 0.00 C ATOM 262 NZ LYS A 36 -1.324 -19.991 20.420 1.00 0.00 N ATOM 0 H LYS A 36 -7.182 -21.740 18.981 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.815 -23.612 17.574 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.325 -22.668 20.419 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.224 -23.776 19.624 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.817 -22.050 17.833 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.871 -20.940 18.687 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.498 -21.119 20.755 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.538 -22.410 20.061 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.471 -20.924 18.505 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.650 -19.658 18.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.135 -18.974 20.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.859 -20.150 21.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.423 -20.508 20.466 1.00 0.00 H new ATOM 276 N LYS A 37 -7.018 -24.742 20.388 1.00 0.00 N ATOM 277 CA LYS A 37 -7.360 -25.916 21.202 1.00 0.00 C ATOM 278 C LYS A 37 -8.088 -26.977 20.358 1.00 0.00 C ATOM 279 O LYS A 37 -7.707 -28.129 20.273 1.00 0.00 O ATOM 280 CB LYS A 37 -8.223 -25.401 22.354 1.00 0.00 C ATOM 281 CG LYS A 37 -8.584 -26.523 23.343 1.00 0.00 C ATOM 282 CD LYS A 37 -9.708 -26.029 24.289 1.00 0.00 C ATOM 283 CE LYS A 37 -11.051 -25.823 23.539 1.00 0.00 C ATOM 284 NZ LYS A 37 -11.063 -24.431 22.994 1.00 0.00 N ATOM 0 H LYS A 37 -7.267 -23.846 20.807 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.469 -26.411 21.589 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.691 -24.609 22.881 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.137 -24.960 21.955 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.913 -27.410 22.801 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.706 -26.810 23.921 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.849 -26.752 25.093 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.405 -25.091 24.753 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.153 -26.549 22.733 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.893 -25.976 24.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.042 -24.084 22.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.503 -23.811 23.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.652 -24.429 22.039 1.00 0.00 H new ATOM 298 N VAL A 38 -9.134 -26.502 19.744 1.00 0.00 N ATOM 299 CA VAL A 38 -9.998 -27.371 18.871 1.00 0.00 C ATOM 300 C VAL A 38 -9.249 -27.859 17.635 1.00 0.00 C ATOM 301 O VAL A 38 -9.265 -29.016 17.275 1.00 0.00 O ATOM 302 CB VAL A 38 -11.234 -26.588 18.395 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.008 -27.439 17.374 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.186 -26.252 19.545 1.00 0.00 C ATOM 0 H VAL A 38 -9.439 -25.531 19.806 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.291 -28.230 19.475 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.878 -25.656 17.956 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.885 -26.889 17.033 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.365 -27.660 16.522 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.323 -28.371 17.842 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.042 -25.699 19.159 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.530 -27.174 20.014 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.664 -25.643 20.283 1.00 0.00 H new ATOM 314 N ILE A 39 -8.595 -26.940 16.998 1.00 0.00 N ATOM 315 CA ILE A 39 -7.830 -27.253 15.767 1.00 0.00 C ATOM 316 C ILE A 39 -6.902 -28.391 16.050 1.00 0.00 C ATOM 317 O ILE A 39 -6.915 -29.382 15.364 1.00 0.00 O ATOM 318 CB ILE A 39 -7.071 -26.013 15.368 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.149 -25.038 14.929 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.217 -26.306 14.166 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.549 -23.825 14.298 1.00 0.00 C ATOM 0 H ILE A 39 -8.557 -25.962 17.284 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.488 -27.548 14.950 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.438 -25.645 16.176 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.820 -25.526 14.222 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.751 -24.745 15.789 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.670 -25.407 13.881 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.510 -27.100 14.407 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.851 -26.623 13.338 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.343 -23.143 13.993 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.898 -23.326 15.016 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.968 -24.119 13.424 1.00 0.00 H new ATOM 333 N LEU A 40 -6.135 -28.204 17.071 1.00 0.00 N ATOM 334 CA LEU A 40 -5.153 -29.207 17.493 1.00 0.00 C ATOM 335 C LEU A 40 -5.832 -30.542 17.804 1.00 0.00 C ATOM 336 O LEU A 40 -5.168 -31.554 17.810 1.00 0.00 O ATOM 337 CB LEU A 40 -4.442 -28.476 18.647 1.00 0.00 C ATOM 338 CG LEU A 40 -3.557 -27.405 17.929 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.131 -26.268 18.838 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.275 -28.125 17.531 1.00 0.00 C ATOM 0 H LEU A 40 -6.153 -27.364 17.649 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.423 -29.527 16.749 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.157 -28.012 19.326 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.837 -29.161 19.241 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.132 -26.983 17.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.520 -25.562 18.276 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.015 -25.758 19.222 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.552 -26.666 19.671 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.609 -27.428 17.022 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.782 -28.511 18.423 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.515 -28.952 16.863 1.00 0.00 H new ATOM 352 N GLN A 41 -7.120 -30.544 18.049 1.00 0.00 N ATOM 353 CA GLN A 41 -7.830 -31.854 18.278 1.00 0.00 C ATOM 354 C GLN A 41 -8.010 -32.560 16.914 1.00 0.00 C ATOM 355 O GLN A 41 -8.111 -33.773 16.837 1.00 0.00 O ATOM 356 CB GLN A 41 -9.215 -31.561 18.983 1.00 0.00 C ATOM 357 CG GLN A 41 -10.212 -32.776 18.917 1.00 0.00 C ATOM 358 CD GLN A 41 -11.087 -32.738 17.651 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.078 -32.044 17.577 1.00 0.00 O ATOM 360 NE2 GLN A 41 -10.771 -33.458 16.621 1.00 0.00 N ATOM 0 H GLN A 41 -7.708 -29.712 18.101 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.255 -32.514 18.927 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.037 -31.302 20.027 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.678 -30.693 18.514 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.648 -33.709 18.940 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.851 -32.768 19.800 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.943 -34.053 16.650 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.350 -33.429 15.782 1.00 0.00 H new ATOM 369 N ASP A 42 -8.040 -31.749 15.892 1.00 0.00 N ATOM 370 CA ASP A 42 -8.198 -32.181 14.465 1.00 0.00 C ATOM 371 C ASP A 42 -6.848 -32.324 13.660 1.00 0.00 C ATOM 372 O ASP A 42 -6.543 -33.351 13.084 1.00 0.00 O ATOM 373 CB ASP A 42 -9.160 -31.122 13.879 1.00 0.00 C ATOM 374 CG ASP A 42 -9.824 -31.673 12.637 1.00 0.00 C ATOM 375 OD1 ASP A 42 -10.551 -32.621 12.870 1.00 0.00 O ATOM 376 OD2 ASP A 42 -9.585 -31.153 11.569 1.00 0.00 O ATOM 0 H ASP A 42 -7.956 -30.738 15.995 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.588 -33.196 14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.915 -30.853 14.618 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.611 -30.212 13.637 1.00 0.00 H new ATOM 381 N LYS A 43 -6.065 -31.281 13.661 1.00 0.00 N ATOM 382 CA LYS A 43 -4.750 -31.251 12.935 1.00 0.00 C ATOM 383 C LYS A 43 -3.571 -31.021 13.931 1.00 0.00 C ATOM 384 O LYS A 43 -2.796 -30.100 13.765 1.00 0.00 O ATOM 385 CB LYS A 43 -4.869 -30.123 11.888 1.00 0.00 C ATOM 386 CG LYS A 43 -3.669 -30.056 10.924 1.00 0.00 C ATOM 387 CD LYS A 43 -3.740 -31.218 9.870 1.00 0.00 C ATOM 388 CE LYS A 43 -2.747 -30.969 8.694 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.418 -30.644 9.295 1.00 0.00 N ATOM 0 H LYS A 43 -6.286 -30.414 14.151 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.532 -32.200 12.445 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.782 -30.268 11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.966 -29.167 12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.660 -29.094 10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.739 -30.126 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.506 -32.167 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.755 -31.300 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.676 -31.851 8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.095 -30.150 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.153 -29.670 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.474 -30.732 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.701 -31.303 8.930 1.00 0.00 H new ATOM 403 N PRO A 44 -3.458 -31.857 14.949 1.00 0.00 N ATOM 404 CA PRO A 44 -2.377 -31.812 15.986 1.00 0.00 C ATOM 405 C PRO A 44 -1.075 -31.021 15.698 1.00 0.00 C ATOM 406 O PRO A 44 -0.571 -30.349 16.576 1.00 0.00 O ATOM 407 CB PRO A 44 -2.177 -33.294 16.249 1.00 0.00 C ATOM 408 CG PRO A 44 -3.637 -33.794 16.332 1.00 0.00 C ATOM 409 CD PRO A 44 -4.383 -33.001 15.233 1.00 0.00 C ATOM 0 HA PRO A 44 -2.681 -31.209 16.842 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.622 -33.781 15.447 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.628 -33.476 17.173 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.699 -34.868 16.157 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.065 -33.606 17.317 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.556 -33.609 14.345 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.358 -32.655 15.577 1.00 0.00 H new ATOM 417 N GLU A 45 -0.571 -31.107 14.491 1.00 0.00 N ATOM 418 CA GLU A 45 0.690 -30.408 14.097 1.00 0.00 C ATOM 419 C GLU A 45 0.590 -28.885 14.268 1.00 0.00 C ATOM 420 O GLU A 45 1.561 -28.213 14.535 1.00 0.00 O ATOM 421 CB GLU A 45 0.972 -30.686 12.636 1.00 0.00 C ATOM 422 CG GLU A 45 0.913 -32.202 12.251 1.00 0.00 C ATOM 423 CD GLU A 45 -0.152 -32.361 11.167 1.00 0.00 C ATOM 424 OE1 GLU A 45 -1.288 -32.117 11.547 1.00 0.00 O ATOM 425 OE2 GLU A 45 0.169 -32.677 10.032 1.00 0.00 O ATOM 0 H GLU A 45 -0.997 -31.651 13.740 1.00 0.00 H new ATOM 0 HA GLU A 45 1.483 -30.782 14.745 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.252 -30.139 12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.959 -30.297 12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.883 -32.543 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.667 -32.809 13.122 1.00 0.00 H new ATOM 432 N ALA A 46 -0.614 -28.436 14.099 1.00 0.00 N ATOM 433 CA ALA A 46 -0.986 -27.001 14.088 1.00 0.00 C ATOM 434 C ALA A 46 -0.334 -25.996 15.092 1.00 0.00 C ATOM 435 O ALA A 46 -0.921 -25.560 16.066 1.00 0.00 O ATOM 436 CB ALA A 46 -2.536 -27.045 14.193 1.00 0.00 C ATOM 0 H ALA A 46 -1.412 -29.055 13.958 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.571 -26.556 13.184 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.930 -26.029 14.194 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.943 -27.591 13.342 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.824 -27.546 15.117 1.00 0.00 H new ATOM 442 N GLN A 47 0.892 -25.641 14.791 1.00 0.00 N ATOM 443 CA GLN A 47 1.642 -24.608 15.587 1.00 0.00 C ATOM 444 C GLN A 47 1.058 -23.283 15.075 1.00 0.00 C ATOM 445 O GLN A 47 1.648 -22.529 14.310 1.00 0.00 O ATOM 446 CB GLN A 47 3.166 -24.602 15.285 1.00 0.00 C ATOM 447 CG GLN A 47 3.802 -23.460 16.177 1.00 0.00 C ATOM 448 CD GLN A 47 5.167 -23.005 15.678 1.00 0.00 C ATOM 449 OE1 GLN A 47 5.326 -22.261 14.732 1.00 0.00 O ATOM 450 NE2 GLN A 47 6.216 -23.425 16.285 1.00 0.00 N ATOM 0 H GLN A 47 1.419 -26.031 14.010 1.00 0.00 H new ATOM 0 HA GLN A 47 1.539 -24.790 16.657 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.611 -25.569 15.520 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.350 -24.415 14.227 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.126 -22.605 16.199 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.897 -23.818 17.202 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.126 -24.052 17.085 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.140 -23.132 15.968 1.00 0.00 H new ATOM 459 N ILE A 48 -0.129 -23.058 15.536 1.00 0.00 N ATOM 460 CA ILE A 48 -0.836 -21.834 15.116 1.00 0.00 C ATOM 461 C ILE A 48 -0.223 -20.594 15.792 1.00 0.00 C ATOM 462 O ILE A 48 0.155 -20.617 16.951 1.00 0.00 O ATOM 463 CB ILE A 48 -2.250 -22.019 15.506 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.903 -23.236 14.757 1.00 0.00 C ATOM 465 CG2 ILE A 48 -2.987 -20.692 15.266 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.094 -23.711 15.527 1.00 0.00 C ATOM 0 H ILE A 48 -0.637 -23.664 16.181 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.750 -21.671 14.042 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.322 -22.272 16.564 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.201 -22.941 13.751 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.179 -24.044 14.651 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.035 -20.802 15.546 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.530 -19.908 15.869 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.920 -20.424 14.212 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.549 -24.555 15.009 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.782 -24.022 16.524 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.820 -22.902 15.610 1.00 0.00 H new ATOM 478 N ILE A 49 -0.162 -19.540 15.027 1.00 0.00 N ATOM 479 CA ILE A 49 0.403 -18.260 15.568 1.00 0.00 C ATOM 480 C ILE A 49 -0.766 -17.262 15.758 1.00 0.00 C ATOM 481 O ILE A 49 -1.864 -17.535 15.318 1.00 0.00 O ATOM 482 CB ILE A 49 1.434 -17.727 14.567 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.481 -18.766 14.049 1.00 0.00 C ATOM 484 CG2 ILE A 49 2.155 -16.463 15.103 1.00 0.00 C ATOM 485 CD1 ILE A 49 3.071 -19.603 15.191 1.00 0.00 C ATOM 0 H ILE A 49 -0.475 -19.503 14.057 1.00 0.00 H new ATOM 0 HA ILE A 49 0.897 -18.410 16.528 1.00 0.00 H new ATOM 0 HB ILE A 49 0.831 -17.470 13.696 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.008 -19.426 13.322 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.284 -18.244 13.530 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.878 -16.116 14.365 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.422 -15.678 15.290 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.673 -16.705 16.031 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.794 -20.312 14.787 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.568 -18.946 15.905 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.272 -20.147 15.694 1.00 0.00 H new ATOM 497 N VAL A 50 -0.559 -16.144 16.391 1.00 0.00 N ATOM 498 CA VAL A 50 -1.693 -15.163 16.531 1.00 0.00 C ATOM 499 C VAL A 50 -1.691 -14.355 15.235 1.00 0.00 C ATOM 500 O VAL A 50 -0.706 -13.729 14.883 1.00 0.00 O ATOM 501 CB VAL A 50 -1.444 -14.212 17.723 1.00 0.00 C ATOM 502 CG1 VAL A 50 -2.673 -13.293 17.933 1.00 0.00 C ATOM 503 CG2 VAL A 50 -1.207 -15.026 19.013 1.00 0.00 C ATOM 0 H VAL A 50 0.325 -15.861 16.814 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.640 -15.673 16.707 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.564 -13.608 17.503 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.489 -12.626 18.775 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.844 -12.702 17.033 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.553 -13.903 18.139 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.033 -14.345 19.846 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.084 -15.639 19.223 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.337 -15.670 18.882 1.00 0.00 H new ATOM 513 N LEU A 51 -2.814 -14.386 14.565 1.00 0.00 N ATOM 514 CA LEU A 51 -2.895 -13.720 13.232 1.00 0.00 C ATOM 515 C LEU A 51 -3.924 -12.576 13.153 1.00 0.00 C ATOM 516 O LEU A 51 -5.006 -12.766 12.630 1.00 0.00 O ATOM 517 CB LEU A 51 -3.180 -14.882 12.231 1.00 0.00 C ATOM 518 CG LEU A 51 -1.883 -15.697 11.926 1.00 0.00 C ATOM 519 CD1 LEU A 51 -2.262 -17.008 11.187 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.914 -14.885 11.040 1.00 0.00 C ATOM 0 H LEU A 51 -3.671 -14.840 14.880 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.967 -13.197 12.999 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.940 -15.545 12.646 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.584 -14.476 11.304 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.389 -15.922 12.871 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.359 -17.579 10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.926 -17.601 11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.768 -16.766 10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.019 -15.476 10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.402 -14.640 10.097 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.635 -13.965 11.554 1.00 0.00 H new ATOM 532 N PRO A 52 -3.607 -11.413 13.682 1.00 0.00 N ATOM 533 CA PRO A 52 -4.553 -10.254 13.586 1.00 0.00 C ATOM 534 C PRO A 52 -4.958 -10.123 12.091 1.00 0.00 C ATOM 535 O PRO A 52 -4.105 -10.092 11.221 1.00 0.00 O ATOM 536 CB PRO A 52 -3.727 -9.086 14.194 1.00 0.00 C ATOM 537 CG PRO A 52 -2.250 -9.568 14.082 1.00 0.00 C ATOM 538 CD PRO A 52 -2.337 -11.063 14.388 1.00 0.00 C ATOM 0 HA PRO A 52 -5.502 -10.320 14.119 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.886 -8.157 13.646 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.007 -8.896 15.230 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.843 -9.385 13.088 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.604 -9.050 14.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.481 -11.616 14.000 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.388 -11.265 15.458 1.00 0.00 H new ATOM 546 N VAL A 53 -6.234 -10.040 11.824 1.00 0.00 N ATOM 547 CA VAL A 53 -6.724 -10.026 10.414 1.00 0.00 C ATOM 548 C VAL A 53 -5.911 -9.204 9.447 1.00 0.00 C ATOM 549 O VAL A 53 -5.565 -8.060 9.656 1.00 0.00 O ATOM 550 CB VAL A 53 -8.221 -9.583 10.394 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.582 -8.706 9.194 1.00 0.00 C ATOM 552 CG2 VAL A 53 -9.026 -10.901 10.127 1.00 0.00 C ATOM 0 H VAL A 53 -6.967 -9.981 12.531 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.610 -11.048 10.052 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.426 -9.042 11.318 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.637 -8.436 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.975 -7.801 9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.392 -9.255 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.092 -10.677 10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.719 -11.328 9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.828 -11.616 10.925 1.00 0.00 H new ATOM 562 N GLY A 54 -5.631 -9.895 8.379 1.00 0.00 N ATOM 563 CA GLY A 54 -4.773 -9.290 7.296 1.00 0.00 C ATOM 564 C GLY A 54 -3.309 -9.780 7.314 1.00 0.00 C ATOM 565 O GLY A 54 -2.672 -9.815 6.281 1.00 0.00 O ATOM 0 H GLY A 54 -5.951 -10.847 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.212 -9.522 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.784 -8.205 7.400 1.00 0.00 H new ATOM 569 N THR A 55 -2.825 -10.119 8.485 1.00 0.00 N ATOM 570 CA THR A 55 -1.441 -10.628 8.709 1.00 0.00 C ATOM 571 C THR A 55 -0.916 -11.723 7.735 1.00 0.00 C ATOM 572 O THR A 55 -1.669 -12.385 7.047 1.00 0.00 O ATOM 573 CB THR A 55 -1.542 -11.001 10.194 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.464 -9.795 10.927 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.487 -11.766 10.624 1.00 0.00 C ATOM 0 H THR A 55 -3.372 -10.057 9.343 1.00 0.00 H new ATOM 0 HA THR A 55 -0.658 -9.906 8.480 1.00 0.00 H new ATOM 0 HB THR A 55 -2.467 -11.561 10.335 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.367 -9.495 11.160 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.613 -11.999 11.681 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.452 -12.692 10.050 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.443 -11.216 10.482 1.00 0.00 H new ATOM 583 N ILE A 56 0.384 -11.903 7.701 1.00 0.00 N ATOM 584 CA ILE A 56 1.011 -12.882 6.717 1.00 0.00 C ATOM 585 C ILE A 56 1.044 -14.347 7.154 1.00 0.00 C ATOM 586 O ILE A 56 1.366 -14.663 8.281 1.00 0.00 O ATOM 587 CB ILE A 56 2.483 -12.480 6.419 1.00 0.00 C ATOM 588 CG1 ILE A 56 2.581 -11.033 5.903 1.00 0.00 C ATOM 589 CG2 ILE A 56 3.139 -13.448 5.376 1.00 0.00 C ATOM 590 CD1 ILE A 56 1.736 -10.791 4.628 1.00 0.00 C ATOM 0 H ILE A 56 1.048 -11.421 8.307 1.00 0.00 H new ATOM 0 HA ILE A 56 0.357 -12.815 5.848 1.00 0.00 H new ATOM 0 HB ILE A 56 3.024 -12.554 7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.252 -10.350 6.686 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.624 -10.797 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.168 -13.139 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.131 -14.465 5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.576 -13.414 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.845 -9.754 4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.081 -11.452 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.687 -10.997 4.842 1.00 0.00 H new ATOM 602 N VAL A 57 0.714 -15.210 6.226 1.00 0.00 N ATOM 603 CA VAL A 57 0.685 -16.698 6.517 1.00 0.00 C ATOM 604 C VAL A 57 1.158 -17.725 5.473 1.00 0.00 C ATOM 605 O VAL A 57 2.189 -18.376 5.597 1.00 0.00 O ATOM 606 CB VAL A 57 -0.758 -17.048 6.964 1.00 0.00 C ATOM 607 CG1 VAL A 57 -0.661 -17.308 8.468 1.00 0.00 C ATOM 608 CG2 VAL A 57 -1.760 -15.856 6.694 1.00 0.00 C ATOM 0 H VAL A 57 0.460 -14.957 5.271 1.00 0.00 H new ATOM 0 HA VAL A 57 1.466 -16.812 7.269 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.139 -17.905 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.647 -17.563 8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.026 -18.134 8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.293 -16.413 8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.760 -16.140 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.435 -14.975 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.777 -15.630 5.628 1.00 0.00 H new ATOM 618 N THR A 58 0.355 -17.836 4.457 1.00 0.00 N ATOM 619 CA THR A 58 0.644 -18.750 3.342 1.00 0.00 C ATOM 620 C THR A 58 1.542 -18.257 2.212 1.00 0.00 C ATOM 621 O THR A 58 1.150 -17.620 1.257 1.00 0.00 O ATOM 622 CB THR A 58 -0.671 -19.246 2.730 1.00 0.00 C ATOM 623 OG1 THR A 58 -1.817 -18.885 3.481 1.00 0.00 O ATOM 624 CG2 THR A 58 -0.658 -20.746 2.601 1.00 0.00 C ATOM 0 H THR A 58 -0.514 -17.312 4.358 1.00 0.00 H new ATOM 0 HA THR A 58 1.231 -19.533 3.823 1.00 0.00 H new ATOM 0 HB THR A 58 -0.738 -18.763 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.620 -19.229 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.599 -21.082 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.169 -21.049 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.534 -21.195 3.587 1.00 0.00 H new ATOM 632 N MET A 59 2.766 -18.603 2.466 1.00 0.00 N ATOM 633 CA MET A 59 3.924 -18.407 1.552 1.00 0.00 C ATOM 634 C MET A 59 4.065 -19.792 0.898 1.00 0.00 C ATOM 635 O MET A 59 3.542 -20.126 -0.146 1.00 0.00 O ATOM 636 CB MET A 59 5.107 -17.891 2.480 1.00 0.00 C ATOM 637 CG MET A 59 6.347 -17.541 1.619 1.00 0.00 C ATOM 638 SD MET A 59 7.160 -18.868 0.695 1.00 0.00 S ATOM 639 CE MET A 59 8.537 -19.172 1.833 1.00 0.00 C ATOM 0 H MET A 59 3.030 -19.051 3.344 1.00 0.00 H new ATOM 0 HA MET A 59 3.864 -17.672 0.749 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.784 -17.013 3.040 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.367 -18.657 3.211 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.048 -16.774 0.904 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.091 -17.091 2.277 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.041 -20.098 1.555 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.244 -18.344 1.779 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.156 -19.257 2.851 1.00 0.00 H new ATOM 649 N GLU A 60 4.809 -20.497 1.660 1.00 0.00 N ATOM 650 CA GLU A 60 5.145 -21.923 1.542 1.00 0.00 C ATOM 651 C GLU A 60 3.950 -22.706 2.157 1.00 0.00 C ATOM 652 O GLU A 60 2.898 -22.149 2.429 1.00 0.00 O ATOM 653 CB GLU A 60 6.480 -22.058 2.299 1.00 0.00 C ATOM 654 CG GLU A 60 6.317 -22.011 3.853 1.00 0.00 C ATOM 655 CD GLU A 60 7.634 -21.848 4.650 1.00 0.00 C ATOM 656 OE1 GLU A 60 8.634 -21.428 4.108 1.00 0.00 O ATOM 657 OE2 GLU A 60 7.546 -22.145 5.838 1.00 0.00 O ATOM 0 H GLU A 60 5.259 -20.078 2.474 1.00 0.00 H new ATOM 0 HA GLU A 60 5.281 -22.318 0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.955 -22.998 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.150 -21.257 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.653 -21.185 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.825 -22.928 4.178 1.00 0.00 H new ATOM 664 N TYR A 61 4.139 -23.973 2.378 1.00 0.00 N ATOM 665 CA TYR A 61 3.026 -24.814 2.902 1.00 0.00 C ATOM 666 C TYR A 61 3.178 -24.915 4.420 1.00 0.00 C ATOM 667 O TYR A 61 3.912 -25.731 4.943 1.00 0.00 O ATOM 668 CB TYR A 61 3.117 -26.182 2.183 1.00 0.00 C ATOM 669 CG TYR A 61 1.806 -26.932 2.218 1.00 0.00 C ATOM 670 CD1 TYR A 61 0.973 -26.887 3.287 1.00 0.00 C ATOM 671 CD2 TYR A 61 1.462 -27.688 1.143 1.00 0.00 C ATOM 672 CE1 TYR A 61 -0.200 -27.587 3.289 1.00 0.00 C ATOM 673 CE2 TYR A 61 0.269 -28.404 1.134 1.00 0.00 C ATOM 674 CZ TYR A 61 -0.570 -28.350 2.221 1.00 0.00 C ATOM 675 OH TYR A 61 -1.772 -29.032 2.269 1.00 0.00 O ATOM 0 H TYR A 61 5.017 -24.466 2.219 1.00 0.00 H new ATOM 0 HA TYR A 61 2.039 -24.394 2.709 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.418 -26.027 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.893 -26.787 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.240 -26.291 4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.120 -27.734 0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.846 -27.535 4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.003 -29.001 0.274 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.156 -28.955 3.167 1.00 0.00 H new ATOM 685 N ARG A 62 2.448 -24.041 5.063 1.00 0.00 N ATOM 686 CA ARG A 62 2.426 -24.004 6.552 1.00 0.00 C ATOM 687 C ARG A 62 1.400 -25.061 6.955 1.00 0.00 C ATOM 688 O ARG A 62 0.338 -24.832 7.487 1.00 0.00 O ATOM 689 CB ARG A 62 2.030 -22.554 7.012 1.00 0.00 C ATOM 690 CG ARG A 62 3.325 -21.767 7.324 1.00 0.00 C ATOM 691 CD ARG A 62 3.979 -21.362 6.027 1.00 0.00 C ATOM 692 NE ARG A 62 5.356 -20.868 6.374 1.00 0.00 N ATOM 693 CZ ARG A 62 5.766 -19.660 6.217 1.00 0.00 C ATOM 694 NH1 ARG A 62 4.905 -18.732 6.145 1.00 0.00 N ATOM 695 NH2 ARG A 62 7.027 -19.468 6.138 1.00 0.00 N ATOM 0 H ARG A 62 1.858 -23.342 4.611 1.00 0.00 H new ATOM 0 HA ARG A 62 3.386 -24.221 7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.460 -22.051 6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.391 -22.598 7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.094 -20.885 7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.006 -22.381 7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.032 -22.207 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.402 -20.583 5.529 1.00 0.00 H new ATOM 0 HE ARG A 62 6.015 -21.543 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.911 -18.952 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.206 -17.765 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.668 -20.259 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.392 -18.524 6.013 1.00 0.00 H new ATOM 709 N ILE A 63 1.780 -26.266 6.651 1.00 0.00 N ATOM 710 CA ILE A 63 0.928 -27.459 6.952 1.00 0.00 C ATOM 711 C ILE A 63 0.961 -27.791 8.444 1.00 0.00 C ATOM 712 O ILE A 63 0.084 -28.402 9.025 1.00 0.00 O ATOM 713 CB ILE A 63 1.475 -28.584 6.054 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.682 -29.855 6.220 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.941 -28.862 6.413 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.824 -29.684 5.943 1.00 0.00 C ATOM 0 H ILE A 63 2.666 -26.485 6.195 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.128 -27.291 6.738 1.00 0.00 H new ATOM 0 HB ILE A 63 1.392 -28.256 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.083 -30.614 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.816 -30.227 7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.327 -29.658 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.531 -27.958 6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.008 -29.167 7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.330 -30.639 6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.240 -28.949 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.969 -29.342 4.918 1.00 0.00 H new ATOM 728 N ASP A 64 2.040 -27.315 8.966 1.00 0.00 N ATOM 729 CA ASP A 64 2.471 -27.352 10.389 1.00 0.00 C ATOM 730 C ASP A 64 1.665 -26.285 11.178 1.00 0.00 C ATOM 731 O ASP A 64 1.907 -26.042 12.343 1.00 0.00 O ATOM 732 CB ASP A 64 3.965 -27.033 10.294 1.00 0.00 C ATOM 733 CG ASP A 64 4.093 -25.763 9.423 1.00 0.00 C ATOM 734 OD1 ASP A 64 3.855 -24.687 9.936 1.00 0.00 O ATOM 735 OD2 ASP A 64 4.405 -25.924 8.259 1.00 0.00 O ATOM 0 H ASP A 64 2.730 -26.839 8.384 1.00 0.00 H new ATOM 0 HA ASP A 64 2.300 -28.293 10.911 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.389 -26.868 11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.511 -27.865 9.848 1.00 0.00 H new ATOM 740 N ARG A 65 0.710 -25.675 10.518 1.00 0.00 N ATOM 741 CA ARG A 65 0.010 -24.482 11.105 1.00 0.00 C ATOM 742 C ARG A 65 -1.433 -24.152 10.632 1.00 0.00 C ATOM 743 O ARG A 65 -1.717 -24.450 9.497 1.00 0.00 O ATOM 744 CB ARG A 65 1.032 -23.485 10.759 1.00 0.00 C ATOM 745 CG ARG A 65 0.759 -22.012 11.055 1.00 0.00 C ATOM 746 CD ARG A 65 1.940 -21.223 10.432 1.00 0.00 C ATOM 747 NE ARG A 65 3.202 -22.036 10.661 1.00 0.00 N ATOM 748 CZ ARG A 65 4.151 -21.687 11.437 1.00 0.00 C ATOM 749 NH1 ARG A 65 3.918 -21.616 12.679 1.00 0.00 N ATOM 750 NH2 ARG A 65 5.312 -21.431 10.978 1.00 0.00 N ATOM 0 H ARG A 65 0.382 -25.952 9.593 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.253 -24.592 12.157 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.950 -23.760 11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.231 -23.575 9.691 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.191 -21.697 10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.695 -21.835 12.129 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.775 -21.063 9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.029 -20.239 10.892 1.00 0.00 H new ATOM 0 HE ARG A 65 3.296 -22.920 10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.988 -21.836 13.037 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.660 -21.339 13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.492 -21.504 9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.061 -21.153 11.612 1.00 0.00 H new ATOM 764 N VAL A 66 -2.292 -23.571 11.448 1.00 0.00 N ATOM 765 CA VAL A 66 -3.643 -23.145 10.933 1.00 0.00 C ATOM 766 C VAL A 66 -3.850 -21.609 11.016 1.00 0.00 C ATOM 767 O VAL A 66 -3.674 -21.021 12.064 1.00 0.00 O ATOM 768 CB VAL A 66 -4.748 -23.890 11.728 1.00 0.00 C ATOM 769 CG1 VAL A 66 -6.115 -23.899 11.019 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.471 -25.341 11.706 1.00 0.00 C ATOM 0 H VAL A 66 -2.120 -23.376 12.434 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.702 -23.409 9.877 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.760 -23.392 12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.839 -24.437 11.631 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.455 -22.874 10.871 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.020 -24.393 10.052 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.245 -25.868 12.264 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.463 -25.694 10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.500 -25.533 12.163 1.00 0.00 H new ATOM 780 N ARG A 67 -4.203 -20.990 9.924 1.00 0.00 N ATOM 781 CA ARG A 67 -4.452 -19.514 9.908 1.00 0.00 C ATOM 782 C ARG A 67 -5.517 -19.071 10.930 1.00 0.00 C ATOM 783 O ARG A 67 -6.680 -19.295 10.651 1.00 0.00 O ATOM 784 CB ARG A 67 -4.929 -19.058 8.466 1.00 0.00 C ATOM 785 CG ARG A 67 -3.799 -18.364 7.753 1.00 0.00 C ATOM 786 CD ARG A 67 -4.229 -17.776 6.403 1.00 0.00 C ATOM 787 NE ARG A 67 -5.165 -16.585 6.501 1.00 0.00 N ATOM 788 CZ ARG A 67 -4.918 -15.514 5.826 1.00 0.00 C ATOM 789 NH1 ARG A 67 -5.055 -15.614 4.567 1.00 0.00 N ATOM 790 NH2 ARG A 67 -4.570 -14.435 6.427 1.00 0.00 N ATOM 0 H ARG A 67 -4.333 -21.451 9.023 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.507 -19.043 10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.258 -19.923 7.891 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.784 -18.388 8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.410 -17.566 8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.985 -19.071 7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.338 -17.476 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.717 -18.557 5.820 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.989 -16.632 7.100 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.343 -16.501 4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.877 -14.807 3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.487 -14.421 7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.376 -13.591 5.888 1.00 0.00 H new ATOM 804 N LEU A 68 -5.221 -18.471 12.070 1.00 0.00 N ATOM 805 CA LEU A 68 -6.344 -18.016 12.926 1.00 0.00 C ATOM 806 C LEU A 68 -6.355 -16.510 12.768 1.00 0.00 C ATOM 807 O LEU A 68 -5.925 -15.751 13.614 1.00 0.00 O ATOM 808 CB LEU A 68 -6.100 -18.415 14.377 1.00 0.00 C ATOM 809 CG LEU A 68 -6.690 -19.816 14.628 1.00 0.00 C ATOM 810 CD1 LEU A 68 -6.034 -20.839 13.726 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.571 -20.194 16.113 1.00 0.00 C ATOM 0 H LEU A 68 -4.282 -18.288 12.423 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.297 -18.462 12.643 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.031 -18.415 14.591 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.560 -17.689 15.048 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.752 -19.801 14.382 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.464 -21.822 13.918 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.202 -20.567 12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.963 -20.866 13.925 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.993 -21.187 16.271 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.521 -20.196 16.405 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.115 -19.468 16.718 1.00 0.00 H new ATOM 823 N PHE A 69 -6.839 -16.181 11.595 1.00 0.00 N ATOM 824 CA PHE A 69 -7.062 -14.751 11.282 1.00 0.00 C ATOM 825 C PHE A 69 -8.263 -14.251 12.058 1.00 0.00 C ATOM 826 O PHE A 69 -9.440 -14.511 11.854 1.00 0.00 O ATOM 827 CB PHE A 69 -7.221 -14.607 9.738 1.00 0.00 C ATOM 828 CG PHE A 69 -5.786 -14.465 9.423 1.00 0.00 C ATOM 829 CD1 PHE A 69 -5.373 -13.206 9.533 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.904 -15.437 9.127 1.00 0.00 C ATOM 831 CE1 PHE A 69 -4.110 -12.839 9.362 1.00 0.00 C ATOM 832 CE2 PHE A 69 -3.622 -15.082 8.956 1.00 0.00 C ATOM 833 CZ PHE A 69 -3.205 -13.811 9.055 1.00 0.00 C ATOM 0 H PHE A 69 -7.084 -16.838 10.854 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.216 -14.134 11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.680 -15.478 9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.813 -13.740 9.446 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.101 -12.445 9.773 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.217 -16.466 9.031 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.809 -11.807 9.462 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.897 -15.850 8.730 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.167 -13.561 8.894 1.00 0.00 H new ATOM 843 N VAL A 70 -7.807 -13.463 12.981 1.00 0.00 N ATOM 844 CA VAL A 70 -8.741 -12.921 14.013 1.00 0.00 C ATOM 845 C VAL A 70 -9.021 -11.465 13.744 1.00 0.00 C ATOM 846 O VAL A 70 -8.360 -10.874 12.928 1.00 0.00 O ATOM 847 CB VAL A 70 -8.106 -13.091 15.412 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.802 -14.552 15.770 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.779 -12.325 15.542 1.00 0.00 C ATOM 0 H VAL A 70 -6.835 -13.168 13.072 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.683 -13.468 13.973 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.859 -12.693 16.092 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.358 -14.598 16.764 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.726 -15.129 15.758 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.105 -14.968 15.042 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.370 -12.474 16.541 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.071 -12.696 14.801 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.955 -11.262 15.376 1.00 0.00 H new ATOM 859 N ASP A 71 -9.950 -10.862 14.411 1.00 0.00 N ATOM 860 CA ASP A 71 -10.233 -9.450 14.071 1.00 0.00 C ATOM 861 C ASP A 71 -9.465 -8.503 14.982 1.00 0.00 C ATOM 862 O ASP A 71 -8.306 -8.670 15.320 1.00 0.00 O ATOM 863 CB ASP A 71 -11.767 -9.277 14.179 1.00 0.00 C ATOM 864 CG ASP A 71 -12.237 -9.211 15.626 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.996 -10.153 16.357 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.798 -8.159 15.880 1.00 0.00 O ATOM 0 H ASP A 71 -10.513 -11.269 15.157 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.901 -9.203 13.063 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.066 -8.366 13.660 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.261 -10.108 13.676 1.00 0.00 H new ATOM 871 N LYS A 72 -10.227 -7.522 15.333 1.00 0.00 N ATOM 872 CA LYS A 72 -9.764 -6.439 16.233 1.00 0.00 C ATOM 873 C LYS A 72 -9.876 -6.817 17.702 1.00 0.00 C ATOM 874 O LYS A 72 -9.355 -6.177 18.589 1.00 0.00 O ATOM 875 CB LYS A 72 -10.599 -5.188 15.920 1.00 0.00 C ATOM 876 CG LYS A 72 -10.431 -4.675 14.463 1.00 0.00 C ATOM 877 CD LYS A 72 -9.119 -3.833 14.324 1.00 0.00 C ATOM 878 CE LYS A 72 -8.926 -3.366 12.871 1.00 0.00 C ATOM 879 NZ LYS A 72 -10.083 -2.486 12.502 1.00 0.00 N ATOM 0 H LYS A 72 -11.193 -7.419 15.022 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.705 -6.251 16.056 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.651 -5.410 16.099 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.319 -4.393 16.611 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.402 -5.520 13.775 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.291 -4.067 14.184 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.163 -2.969 14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.262 -4.430 14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.987 -2.822 12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.872 -4.224 12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.837 -1.923 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.914 -3.075 12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.301 -1.849 13.295 1.00 0.00 H new ATOM 893 N LEU A 73 -10.559 -7.877 17.893 1.00 0.00 N ATOM 894 CA LEU A 73 -10.807 -8.414 19.259 1.00 0.00 C ATOM 895 C LEU A 73 -10.611 -9.948 19.239 1.00 0.00 C ATOM 896 O LEU A 73 -11.425 -10.742 19.652 1.00 0.00 O ATOM 897 CB LEU A 73 -12.226 -7.833 19.540 1.00 0.00 C ATOM 898 CG LEU A 73 -13.419 -8.710 19.163 1.00 0.00 C ATOM 899 CD1 LEU A 73 -13.924 -9.405 20.437 1.00 0.00 C ATOM 900 CD2 LEU A 73 -14.574 -7.812 18.668 1.00 0.00 C ATOM 0 H LEU A 73 -10.978 -8.426 17.143 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.138 -8.134 20.073 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.295 -7.606 20.604 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.318 -6.888 19.005 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.119 -9.424 18.396 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.777 -10.038 20.192 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.127 -10.018 20.858 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.227 -8.653 21.166 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.428 -8.433 18.398 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.864 -7.122 19.461 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.247 -7.246 17.796 1.00 0.00 H new ATOM 912 N ASP A 74 -9.453 -10.260 18.718 1.00 0.00 N ATOM 913 CA ASP A 74 -8.910 -11.641 18.540 1.00 0.00 C ATOM 914 C ASP A 74 -9.882 -12.769 18.143 1.00 0.00 C ATOM 915 O ASP A 74 -9.529 -13.929 18.219 1.00 0.00 O ATOM 916 CB ASP A 74 -8.113 -11.943 19.900 1.00 0.00 C ATOM 917 CG ASP A 74 -8.575 -13.172 20.716 1.00 0.00 C ATOM 918 OD1 ASP A 74 -8.082 -14.260 20.467 1.00 0.00 O ATOM 919 OD2 ASP A 74 -9.420 -12.940 21.561 1.00 0.00 O ATOM 0 H ASP A 74 -8.809 -9.545 18.380 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.284 -11.646 17.648 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.059 -12.074 19.655 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.185 -11.063 20.539 1.00 0.00 H new ATOM 924 N ASN A 75 -11.058 -12.445 17.685 1.00 0.00 N ATOM 925 CA ASN A 75 -12.005 -13.529 17.306 1.00 0.00 C ATOM 926 C ASN A 75 -11.985 -13.746 15.783 1.00 0.00 C ATOM 927 O ASN A 75 -11.998 -12.825 14.989 1.00 0.00 O ATOM 928 CB ASN A 75 -13.377 -13.098 17.849 1.00 0.00 C ATOM 929 CG ASN A 75 -13.391 -13.369 19.320 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.212 -14.472 19.786 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.609 -12.375 20.089 1.00 0.00 N ATOM 0 H ASN A 75 -11.401 -11.493 17.558 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.734 -14.495 17.731 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.550 -12.040 17.654 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.175 -13.649 17.351 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.633 -12.508 21.100 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.759 -11.447 19.693 1.00 0.00 H new ATOM 938 N ILE A 76 -11.929 -15.006 15.446 1.00 0.00 N ATOM 939 CA ILE A 76 -11.865 -15.470 14.050 1.00 0.00 C ATOM 940 C ILE A 76 -12.955 -14.880 13.217 1.00 0.00 C ATOM 941 O ILE A 76 -14.150 -15.061 13.360 1.00 0.00 O ATOM 942 CB ILE A 76 -11.862 -16.974 14.100 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.456 -17.122 14.784 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.837 -17.474 12.618 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.058 -18.510 14.948 1.00 0.00 C ATOM 0 H ILE A 76 -11.925 -15.764 16.128 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.957 -15.130 13.552 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.680 -17.501 14.591 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.708 -16.602 14.185 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.478 -16.636 15.760 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.834 -18.564 12.602 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.719 -17.106 12.095 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.940 -17.101 12.123 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.079 -18.554 15.425 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.789 -19.027 15.570 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.007 -18.992 13.972 1.00 0.00 H new ATOM 957 N ALA A 77 -12.342 -14.193 12.319 1.00 0.00 N ATOM 958 CA ALA A 77 -12.984 -13.279 11.384 1.00 0.00 C ATOM 959 C ALA A 77 -13.132 -13.888 9.979 1.00 0.00 C ATOM 960 O ALA A 77 -14.130 -13.738 9.304 1.00 0.00 O ATOM 961 CB ALA A 77 -12.017 -12.138 11.656 1.00 0.00 C ATOM 0 H ALA A 77 -11.331 -14.241 12.194 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.030 -12.988 11.483 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.289 -11.277 11.046 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.064 -11.865 12.710 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.004 -12.453 11.407 1.00 0.00 H new ATOM 967 N GLN A 78 -12.090 -14.582 9.646 1.00 0.00 N ATOM 968 CA GLN A 78 -11.943 -15.264 8.320 1.00 0.00 C ATOM 969 C GLN A 78 -11.935 -16.749 8.700 1.00 0.00 C ATOM 970 O GLN A 78 -11.669 -17.038 9.851 1.00 0.00 O ATOM 971 CB GLN A 78 -10.617 -14.754 7.752 1.00 0.00 C ATOM 972 CG GLN A 78 -10.240 -15.397 6.394 1.00 0.00 C ATOM 973 CD GLN A 78 -8.817 -14.951 6.044 1.00 0.00 C ATOM 974 OE1 GLN A 78 -7.828 -15.489 6.503 1.00 0.00 O ATOM 975 NE2 GLN A 78 -8.633 -13.955 5.240 1.00 0.00 N ATOM 0 H GLN A 78 -11.290 -14.716 10.264 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.709 -15.085 7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.675 -13.672 7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.822 -14.951 8.472 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.295 -16.484 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.939 -15.087 5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.435 -13.474 4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.686 -13.650 5.014 1.00 0.00 H new ATOM 984 N VAL A 79 -12.202 -17.685 7.823 1.00 0.00 N ATOM 985 CA VAL A 79 -12.152 -19.078 8.374 1.00 0.00 C ATOM 986 C VAL A 79 -10.683 -19.515 8.528 1.00 0.00 C ATOM 987 O VAL A 79 -9.829 -19.156 7.738 1.00 0.00 O ATOM 988 CB VAL A 79 -12.928 -20.077 7.433 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.769 -21.546 7.948 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.406 -19.823 7.686 1.00 0.00 C ATOM 0 H VAL A 79 -12.433 -17.569 6.836 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.636 -19.092 9.351 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.574 -19.948 6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.310 -22.224 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.713 -21.816 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.173 -21.623 8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.002 -20.488 7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.633 -20.012 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.644 -18.787 7.444 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.409 -20.287 9.557 1.00 0.00 N ATOM 1001 CA PRO A 80 -9.042 -20.796 9.779 1.00 0.00 C ATOM 1002 C PRO A 80 -8.808 -21.969 8.832 1.00 0.00 C ATOM 1003 O PRO A 80 -9.733 -22.671 8.464 1.00 0.00 O ATOM 1004 CB PRO A 80 -9.013 -21.204 11.257 1.00 0.00 C ATOM 1005 CG PRO A 80 -10.316 -20.572 11.817 1.00 0.00 C ATOM 1006 CD PRO A 80 -11.300 -20.761 10.656 1.00 0.00 C ATOM 0 HA PRO A 80 -8.252 -20.073 9.577 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.006 -22.287 11.377 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.128 -20.821 11.765 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.655 -21.075 12.723 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.182 -19.520 12.068 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.618 -21.796 10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.204 -20.161 10.761 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.587 -22.177 8.455 1.00 0.00 N ATOM 1015 CA ARG A 81 -7.283 -23.331 7.550 1.00 0.00 C ATOM 1016 C ARG A 81 -5.843 -23.703 7.823 1.00 0.00 C ATOM 1017 O ARG A 81 -5.100 -22.858 8.271 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.567 -22.885 6.049 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.316 -23.016 5.151 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.681 -22.877 3.650 1.00 0.00 C ATOM 1021 NE ARG A 81 -6.737 -24.265 3.021 1.00 0.00 N ATOM 1022 CZ ARG A 81 -5.673 -24.966 2.791 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -4.701 -24.394 2.191 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -5.600 -26.195 3.154 1.00 0.00 N ATOM 0 H ARG A 81 -6.785 -21.609 8.726 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.906 -24.209 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.372 -23.494 5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.912 -21.851 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.589 -22.251 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.841 -23.982 5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.643 -22.376 3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.941 -22.262 3.138 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.646 -24.655 2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.779 -23.417 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.847 -24.915 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.388 -26.633 3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.754 -26.733 2.965 1.00 0.00 H new ATOM 1038 N VAL A 82 -5.457 -24.921 7.559 1.00 0.00 N ATOM 1039 CA VAL A 82 -4.061 -25.322 7.854 1.00 0.00 C ATOM 1040 C VAL A 82 -3.150 -24.719 6.789 1.00 0.00 C ATOM 1041 O VAL A 82 -2.569 -23.663 6.913 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.922 -26.917 7.857 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.492 -27.211 8.257 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.821 -27.578 8.824 1.00 0.00 C ATOM 0 H VAL A 82 -6.046 -25.649 7.154 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.777 -24.958 8.841 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.190 -27.298 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.334 -28.289 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.812 -26.758 7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.299 -26.797 9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.677 -28.657 8.776 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.594 -27.226 9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.856 -27.339 8.581 1.00 0.00 H new ATOM 1054 N GLY A 83 -3.148 -25.482 5.755 1.00 0.00 N ATOM 1055 CA GLY A 83 -2.344 -25.351 4.521 1.00 0.00 C ATOM 1056 C GLY A 83 -2.866 -26.518 3.664 1.00 0.00 C ATOM 1057 O GLY A 83 -3.238 -27.530 4.231 1.00 0.00 O ATOM 1058 OXT GLY A 83 -2.901 -26.395 2.462 1.00 0.00 O ATOM 0 H GLY A 83 -3.755 -26.301 5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.499 -24.388 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.276 -25.439 4.720 1.00 0.00 H new