USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 ASN : amide:sc= -3.72! C(o=-3.5!,f=-3.4!) USER MOD Set 1.2: A 100 SER OG : rot -103:sc= 0.212 USER MOD Set 2.1: A 87 THR OG1 : rot -122:sc= 0.0236 USER MOD Set 2.2: A 89 TYR OH : rot 180:sc= -0.0202 USER MOD Set 3.1: A 40 CYS SG : rot -119:sc= -1.07 USER MOD Set 3.2: A 65 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0582 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -139:sc= -0.214 (180deg=-1.24!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 17 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.6!) USER MOD Single : A 19 TYR OH : rot 21:sc= 0.106 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.075 X(o=0.075,f=0) USER MOD Single : A 25 THR OG1 : rot -18:sc= 0.63 USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= -0.0359 (180deg=-0.235) USER MOD Single : A 37 ASN : amide:sc= -1.05 K(o=-1,f=-3.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -112:sc= 1.2 USER MOD Single : A 43 TYR OH : rot -50:sc= 1.3 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 74 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 75 ASN : amide:sc= -0.756 K(o=-0.76,f=-1.9!) USER MOD Single : A 76 MET CE :methyl -163:sc= -0.492 (180deg=-1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -149:sc= -5.64! (180deg=-8.17!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.0764 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.749 11.770 -8.229 1.00 0.00 N ATOM 2 CA ALA A 1 14.009 10.572 -8.604 1.00 0.00 C ATOM 3 C ALA A 1 14.617 9.328 -7.964 1.00 0.00 C ATOM 4 O ALA A 1 15.772 9.321 -7.540 1.00 0.00 O ATOM 5 CB ALA A 1 13.973 10.426 -10.118 1.00 0.00 C ATOM 0 H1 ALA A 1 14.150 12.376 -7.632 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.603 11.499 -7.701 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.023 12.291 -9.086 1.00 0.00 H new ATOM 0 HA ALA A 1 12.988 10.675 -8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.417 9.527 -10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.485 11.297 -10.556 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.991 10.350 -10.500 1.00 0.00 H new ATOM 11 N PRO A 2 13.822 8.251 -7.891 1.00 0.00 N ATOM 12 CA PRO A 2 14.261 6.981 -7.304 1.00 0.00 C ATOM 13 C PRO A 2 15.304 6.275 -8.164 1.00 0.00 C ATOM 14 O PRO A 2 15.008 5.276 -8.820 1.00 0.00 O ATOM 15 CB PRO A 2 12.973 6.156 -7.241 1.00 0.00 C ATOM 16 CG PRO A 2 12.107 6.721 -8.312 1.00 0.00 C ATOM 17 CD PRO A 2 12.433 8.188 -8.377 1.00 0.00 C ATOM 0 HA PRO A 2 14.740 7.123 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.172 5.098 -7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.498 6.238 -6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.302 6.235 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.053 6.565 -8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.345 8.575 -9.392 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.762 8.777 -7.752 1.00 0.00 H new ATOM 25 N ILE A 3 16.525 6.801 -8.155 1.00 0.00 N ATOM 26 CA ILE A 3 17.612 6.219 -8.933 1.00 0.00 C ATOM 27 C ILE A 3 18.331 5.131 -8.144 1.00 0.00 C ATOM 28 O ILE A 3 18.283 5.105 -6.914 1.00 0.00 O ATOM 29 CB ILE A 3 18.634 7.289 -9.360 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.917 8.495 -9.972 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.633 6.704 -10.346 1.00 0.00 C ATOM 32 CD1 ILE A 3 18.843 9.646 -10.298 1.00 0.00 C ATOM 0 H ILE A 3 16.786 7.628 -7.618 1.00 0.00 H new ATOM 0 HA ILE A 3 17.163 5.781 -9.825 1.00 0.00 H new ATOM 0 HB ILE A 3 19.178 7.623 -8.477 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.407 8.181 -10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.150 8.841 -9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.349 7.473 -10.638 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.163 5.874 -9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 3 19.105 6.345 -11.229 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.267 10.466 -10.728 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.335 9.987 -9.387 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.595 9.316 -11.014 1.00 0.00 H new ATOM 44 N LYS A 4 19.001 4.233 -8.859 1.00 0.00 N ATOM 45 CA LYS A 4 19.734 3.143 -8.227 1.00 0.00 C ATOM 46 C LYS A 4 20.787 3.683 -7.264 1.00 0.00 C ATOM 47 O LYS A 4 20.844 4.883 -7.000 1.00 0.00 O ATOM 48 CB LYS A 4 20.401 2.266 -9.289 1.00 0.00 C ATOM 49 CG LYS A 4 19.907 0.830 -9.290 1.00 0.00 C ATOM 50 CD LYS A 4 20.815 -0.071 -8.469 1.00 0.00 C ATOM 51 CE LYS A 4 20.194 -0.410 -7.122 1.00 0.00 C ATOM 52 NZ LYS A 4 21.202 -0.384 -6.026 1.00 0.00 N ATOM 0 H LYS A 4 19.051 4.239 -9.878 1.00 0.00 H new ATOM 0 HA LYS A 4 19.024 2.540 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.224 2.703 -10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.479 2.270 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.895 0.792 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.857 0.462 -10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.013 -0.990 -9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.775 0.422 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.397 0.300 -6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.736 -1.398 -7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.036 -1.184 -5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.157 -0.458 -6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.118 0.508 -5.498 1.00 0.00 H new ATOM 66 N GLY A 5 21.621 2.787 -6.743 1.00 0.00 N ATOM 67 CA GLY A 5 22.661 3.193 -5.817 1.00 0.00 C ATOM 68 C GLY A 5 23.622 4.194 -6.426 1.00 0.00 C ATOM 69 O GLY A 5 24.577 3.815 -7.105 1.00 0.00 O ATOM 0 H GLY A 5 21.594 1.788 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.203 3.628 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.216 2.313 -5.491 1.00 0.00 H new ATOM 73 N VAL A 6 23.370 5.477 -6.187 1.00 0.00 N ATOM 74 CA VAL A 6 24.219 6.536 -6.718 1.00 0.00 C ATOM 75 C VAL A 6 24.378 6.408 -8.228 1.00 0.00 C ATOM 76 O VAL A 6 25.281 5.726 -8.714 1.00 0.00 O ATOM 77 CB VAL A 6 25.614 6.518 -6.063 1.00 0.00 C ATOM 78 CG1 VAL A 6 26.542 7.504 -6.756 1.00 0.00 C ATOM 79 CG2 VAL A 6 25.508 6.826 -4.577 1.00 0.00 C ATOM 0 H VAL A 6 22.584 5.808 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 6 23.728 7.481 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 6 26.036 5.519 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.522 7.477 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.642 7.233 -7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.128 8.509 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.502 6.809 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.065 7.813 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 6 24.880 6.077 -4.094 1.00 0.00 H new ATOM 89 N THR A 7 23.493 7.069 -8.969 1.00 0.00 N ATOM 90 CA THR A 7 23.534 7.029 -10.425 1.00 0.00 C ATOM 91 C THR A 7 22.770 8.202 -11.029 1.00 0.00 C ATOM 92 O THR A 7 21.977 8.854 -10.350 1.00 0.00 O ATOM 93 CB THR A 7 22.944 5.713 -10.968 1.00 0.00 C ATOM 94 OG1 THR A 7 22.977 4.706 -9.951 1.00 0.00 O ATOM 95 CG2 THR A 7 23.719 5.235 -12.187 1.00 0.00 C ATOM 0 H THR A 7 22.739 7.638 -8.584 1.00 0.00 H new ATOM 0 HA THR A 7 24.583 7.095 -10.713 1.00 0.00 H new ATOM 0 HB THR A 7 21.911 5.898 -11.263 1.00 0.00 H new ATOM 0 HG1 THR A 7 22.599 3.873 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 7 23.284 4.305 -12.553 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.668 5.992 -12.970 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.760 5.066 -11.913 1.00 0.00 H new ATOM 103 N PHE A 8 23.012 8.464 -12.309 1.00 0.00 N ATOM 104 CA PHE A 8 22.347 9.559 -13.004 1.00 0.00 C ATOM 105 C PHE A 8 22.701 9.556 -14.488 1.00 0.00 C ATOM 106 O PHE A 8 23.818 9.210 -14.871 1.00 0.00 O ATOM 107 CB PHE A 8 22.736 10.900 -12.378 1.00 0.00 C ATOM 108 CG PHE A 8 24.159 11.297 -12.649 1.00 0.00 C ATOM 109 CD1 PHE A 8 25.183 10.858 -11.825 1.00 0.00 C ATOM 110 CD2 PHE A 8 24.473 12.110 -13.726 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.493 11.223 -12.071 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.781 12.477 -13.978 1.00 0.00 C ATOM 113 CZ PHE A 8 26.793 12.032 -13.150 1.00 0.00 C ATOM 0 H PHE A 8 23.664 7.933 -12.886 1.00 0.00 H new ATOM 0 HA PHE A 8 21.271 9.418 -12.905 1.00 0.00 H new ATOM 0 HB2 PHE A 8 22.072 11.676 -12.759 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.581 10.848 -11.300 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.955 10.224 -10.981 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.686 12.461 -14.377 1.00 0.00 H new ATOM 0 HE1 PHE A 8 27.282 10.876 -11.420 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.012 13.111 -14.821 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.817 12.316 -13.346 1.00 0.00 H new ATOM 123 N GLY A 9 21.739 9.944 -15.321 1.00 0.00 N ATOM 124 CA GLY A 9 21.968 9.978 -16.754 1.00 0.00 C ATOM 125 C GLY A 9 22.519 8.670 -17.284 1.00 0.00 C ATOM 126 O GLY A 9 23.703 8.571 -17.603 1.00 0.00 O ATOM 0 H GLY A 9 20.806 10.235 -15.029 1.00 0.00 H new ATOM 0 HA2 GLY A 9 21.032 10.207 -17.263 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.664 10.783 -16.989 1.00 0.00 H new ATOM 130 N GLU A 10 21.657 7.661 -17.378 1.00 0.00 N ATOM 131 CA GLU A 10 22.066 6.352 -17.872 1.00 0.00 C ATOM 132 C GLU A 10 21.391 6.037 -19.203 1.00 0.00 C ATOM 133 O GLU A 10 22.026 5.530 -20.129 1.00 0.00 O ATOM 134 CB GLU A 10 21.727 5.267 -16.847 1.00 0.00 C ATOM 135 CG GLU A 10 22.880 4.925 -15.919 1.00 0.00 C ATOM 136 CD GLU A 10 22.660 3.625 -15.170 1.00 0.00 C ATOM 137 OE1 GLU A 10 23.030 2.561 -15.709 1.00 0.00 O ATOM 138 OE2 GLU A 10 22.118 3.671 -14.046 1.00 0.00 O ATOM 0 H GLU A 10 20.673 7.726 -17.119 1.00 0.00 H new ATOM 0 HA GLU A 10 23.145 6.372 -18.027 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.876 5.596 -16.250 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.416 4.365 -17.374 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.800 4.854 -16.499 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.017 5.734 -15.202 1.00 0.00 H new ATOM 145 N ASP A 11 20.101 6.340 -19.292 1.00 0.00 N ATOM 146 CA ASP A 11 19.338 6.091 -20.510 1.00 0.00 C ATOM 147 C ASP A 11 17.957 6.733 -20.428 1.00 0.00 C ATOM 148 O ASP A 11 17.648 7.665 -21.172 1.00 0.00 O ATOM 149 CB ASP A 11 19.201 4.587 -20.753 1.00 0.00 C ATOM 150 CG ASP A 11 19.060 4.248 -22.223 1.00 0.00 C ATOM 151 OD1 ASP A 11 19.954 4.627 -23.009 1.00 0.00 O ATOM 152 OD2 ASP A 11 18.055 3.603 -22.589 1.00 0.00 O ATOM 0 H ASP A 11 19.561 6.759 -18.535 1.00 0.00 H new ATOM 0 HA ASP A 11 19.878 6.539 -21.345 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.074 4.076 -20.347 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.332 4.212 -20.212 1.00 0.00 H new ATOM 157 N THR A 12 17.128 6.229 -19.519 1.00 0.00 N ATOM 158 CA THR A 12 15.780 6.752 -19.341 1.00 0.00 C ATOM 159 C THR A 12 15.178 6.283 -18.021 1.00 0.00 C ATOM 160 O THR A 12 15.634 5.301 -17.434 1.00 0.00 O ATOM 161 CB THR A 12 14.854 6.322 -20.495 1.00 0.00 C ATOM 162 OG1 THR A 12 13.538 6.848 -20.289 1.00 0.00 O ATOM 163 CG2 THR A 12 14.790 4.806 -20.602 1.00 0.00 C ATOM 0 H THR A 12 17.367 5.459 -18.895 1.00 0.00 H new ATOM 0 HA THR A 12 15.861 7.839 -19.335 1.00 0.00 H new ATOM 0 HB THR A 12 15.261 6.718 -21.425 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.956 6.572 -21.027 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.130 4.527 -21.424 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.789 4.412 -20.789 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.405 4.391 -19.670 1.00 0.00 H new ATOM 171 N VAL A 13 14.152 6.990 -17.560 1.00 0.00 N ATOM 172 CA VAL A 13 13.486 6.644 -16.309 1.00 0.00 C ATOM 173 C VAL A 13 12.539 5.465 -16.498 1.00 0.00 C ATOM 174 O VAL A 13 12.165 5.130 -17.622 1.00 0.00 O ATOM 175 CB VAL A 13 12.694 7.839 -15.746 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.424 7.649 -14.262 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.442 9.140 -15.998 1.00 0.00 C ATOM 0 H VAL A 13 13.763 7.806 -18.033 1.00 0.00 H new ATOM 0 HA VAL A 13 14.267 6.369 -15.600 1.00 0.00 H new ATOM 0 HB VAL A 13 11.735 7.892 -16.261 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.864 8.503 -13.882 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.844 6.738 -14.111 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.370 7.569 -13.727 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.868 9.974 -15.594 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.416 9.100 -15.511 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.578 9.279 -17.070 1.00 0.00 H new ATOM 187 N TRP A 14 12.155 4.839 -15.392 1.00 0.00 N ATOM 188 CA TRP A 14 11.250 3.696 -15.436 1.00 0.00 C ATOM 189 C TRP A 14 11.873 2.538 -16.208 1.00 0.00 C ATOM 190 O TRP A 14 11.176 1.614 -16.627 1.00 0.00 O ATOM 191 CB TRP A 14 9.920 4.096 -16.077 1.00 0.00 C ATOM 192 CG TRP A 14 8.939 4.670 -15.100 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.969 5.918 -14.547 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.785 4.017 -14.560 1.00 0.00 C ATOM 195 NE1 TRP A 14 7.902 6.081 -13.696 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.161 4.929 -13.687 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.217 2.752 -14.731 1.00 0.00 C ATOM 198 CZ2 TRP A 14 5.999 4.613 -12.988 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.064 2.440 -14.036 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.465 3.367 -13.174 1.00 0.00 C ATOM 0 H TRP A 14 12.456 5.103 -14.454 1.00 0.00 H new ATOM 0 HA TRP A 14 11.068 3.369 -14.412 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.109 4.827 -16.863 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.477 3.222 -16.554 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.721 6.667 -14.749 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.696 6.923 -13.159 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.671 2.031 -15.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.536 5.326 -12.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.617 1.465 -14.160 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.564 3.093 -12.646 1.00 0.00 H new ATOM 211 N GLU A 15 13.188 2.594 -16.392 1.00 0.00 N ATOM 212 CA GLU A 15 13.903 1.549 -17.115 1.00 0.00 C ATOM 213 C GLU A 15 15.270 1.290 -16.487 1.00 0.00 C ATOM 214 O GLU A 15 15.660 0.143 -16.273 1.00 0.00 O ATOM 215 CB GLU A 15 14.071 1.938 -18.585 1.00 0.00 C ATOM 216 CG GLU A 15 12.941 1.451 -19.477 1.00 0.00 C ATOM 217 CD GLU A 15 13.397 0.407 -20.478 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.357 0.683 -21.228 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.794 -0.686 -20.511 1.00 0.00 O ATOM 0 H GLU A 15 13.780 3.351 -16.051 1.00 0.00 H new ATOM 0 HA GLU A 15 13.315 0.633 -17.054 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.139 3.023 -18.659 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.014 1.533 -18.954 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.148 1.033 -18.857 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.514 2.299 -20.012 1.00 0.00 H new ATOM 226 N VAL A 16 15.993 2.366 -16.194 1.00 0.00 N ATOM 227 CA VAL A 16 17.316 2.257 -15.591 1.00 0.00 C ATOM 228 C VAL A 16 17.267 2.573 -14.100 1.00 0.00 C ATOM 229 O VAL A 16 18.082 2.075 -13.324 1.00 0.00 O ATOM 230 CB VAL A 16 18.323 3.203 -16.271 1.00 0.00 C ATOM 231 CG1 VAL A 16 18.014 4.652 -15.926 1.00 0.00 C ATOM 232 CG2 VAL A 16 19.746 2.843 -15.870 1.00 0.00 C ATOM 0 H VAL A 16 15.685 3.323 -16.364 1.00 0.00 H new ATOM 0 HA VAL A 16 17.644 1.227 -15.732 1.00 0.00 H new ATOM 0 HB VAL A 16 18.232 3.085 -17.351 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.737 5.305 -16.416 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.010 4.901 -16.268 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.074 4.790 -14.846 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.445 3.521 -16.360 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.853 2.931 -14.789 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.962 1.819 -16.174 1.00 0.00 H new ATOM 242 N GLN A 17 16.306 3.402 -13.707 1.00 0.00 N ATOM 243 CA GLN A 17 16.151 3.784 -12.308 1.00 0.00 C ATOM 244 C GLN A 17 15.926 2.557 -11.431 1.00 0.00 C ATOM 245 O GLN A 17 16.333 2.528 -10.270 1.00 0.00 O ATOM 246 CB GLN A 17 14.984 4.760 -12.150 1.00 0.00 C ATOM 247 CG GLN A 17 13.654 4.078 -11.875 1.00 0.00 C ATOM 248 CD GLN A 17 12.490 5.049 -11.869 1.00 0.00 C ATOM 249 OE1 GLN A 17 12.647 6.222 -11.529 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.313 4.565 -12.246 1.00 0.00 N ATOM 0 H GLN A 17 15.623 3.822 -14.337 1.00 0.00 H new ATOM 0 HA GLN A 17 17.070 4.274 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.205 5.449 -11.335 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.896 5.358 -13.057 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.480 3.312 -12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.703 3.570 -10.912 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.228 3.586 -12.520 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.493 5.172 -12.262 1.00 0.00 H new ATOM 259 N GLY A 18 15.274 1.544 -11.994 1.00 0.00 N ATOM 260 CA GLY A 18 15.006 0.328 -11.249 1.00 0.00 C ATOM 261 C GLY A 18 13.936 0.520 -10.192 1.00 0.00 C ATOM 262 O GLY A 18 14.050 0.002 -9.081 1.00 0.00 O ATOM 0 H GLY A 18 14.927 1.544 -12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.694 -0.456 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.925 -0.013 -10.773 1.00 0.00 H new ATOM 266 N TYR A 19 12.894 1.269 -10.537 1.00 0.00 N ATOM 267 CA TYR A 19 11.801 1.532 -9.609 1.00 0.00 C ATOM 268 C TYR A 19 10.512 1.851 -10.360 1.00 0.00 C ATOM 269 O TYR A 19 10.517 2.028 -11.579 1.00 0.00 O ATOM 270 CB TYR A 19 12.162 2.691 -8.678 1.00 0.00 C ATOM 271 CG TYR A 19 13.116 2.304 -7.571 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.653 1.707 -6.405 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.481 2.536 -7.690 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.521 1.352 -5.390 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.356 2.183 -6.681 1.00 0.00 C ATOM 276 CZ TYR A 19 14.871 1.591 -5.533 1.00 0.00 C ATOM 277 OH TYR A 19 15.740 1.240 -4.525 1.00 0.00 O ATOM 0 H TYR A 19 12.784 1.705 -11.453 1.00 0.00 H new ATOM 0 HA TYR A 19 11.640 0.633 -9.014 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.608 3.493 -9.266 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.249 3.089 -8.236 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.596 1.517 -6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.864 3.000 -8.587 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.144 0.890 -4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.414 2.369 -6.790 1.00 0.00 H new ATOM 0 HH TYR A 19 15.323 0.560 -3.956 1.00 0.00 H new ATOM 287 N LYS A 20 9.409 1.924 -9.624 1.00 0.00 N ATOM 288 CA LYS A 20 8.111 2.224 -10.218 1.00 0.00 C ATOM 289 C LYS A 20 7.204 2.930 -9.215 1.00 0.00 C ATOM 290 O LYS A 20 7.461 2.913 -8.012 1.00 0.00 O ATOM 291 CB LYS A 20 7.443 0.938 -10.709 1.00 0.00 C ATOM 292 CG LYS A 20 7.792 0.581 -12.143 1.00 0.00 C ATOM 293 CD LYS A 20 8.879 -0.479 -12.205 1.00 0.00 C ATOM 294 CE LYS A 20 8.384 -1.817 -11.676 1.00 0.00 C ATOM 295 NZ LYS A 20 8.384 -2.865 -12.734 1.00 0.00 N ATOM 0 H LYS A 20 9.387 1.780 -8.615 1.00 0.00 H new ATOM 0 HA LYS A 20 8.272 2.889 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.735 0.115 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.362 1.044 -10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.901 0.220 -12.656 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.124 1.475 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.216 -0.596 -13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.741 -0.153 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.017 -2.137 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.375 -1.700 -11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.040 -3.762 -12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.761 -2.572 -13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.351 -2.995 -13.094 1.00 0.00 H new ATOM 309 N ASN A 21 6.141 3.550 -9.719 1.00 0.00 N ATOM 310 CA ASN A 21 5.196 4.261 -8.867 1.00 0.00 C ATOM 311 C ASN A 21 3.811 3.625 -8.942 1.00 0.00 C ATOM 312 O ASN A 21 3.270 3.416 -10.027 1.00 0.00 O ATOM 313 CB ASN A 21 5.116 5.733 -9.275 1.00 0.00 C ATOM 314 CG ASN A 21 6.447 6.446 -9.133 1.00 0.00 C ATOM 315 OD1 ASN A 21 6.836 6.842 -8.034 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.151 6.612 -10.246 1.00 0.00 N ATOM 0 H ASN A 21 5.913 3.574 -10.713 1.00 0.00 H new ATOM 0 HA ASN A 21 5.552 4.195 -7.839 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.778 5.803 -10.309 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.370 6.237 -8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.054 7.084 -10.212 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.789 6.267 -11.135 1.00 0.00 H new ATOM 323 N VAL A 22 3.243 3.318 -7.780 1.00 0.00 N ATOM 324 CA VAL A 22 1.920 2.708 -7.713 1.00 0.00 C ATOM 325 C VAL A 22 1.134 3.229 -6.515 1.00 0.00 C ATOM 326 O VAL A 22 1.600 3.161 -5.377 1.00 0.00 O ATOM 327 CB VAL A 22 2.015 1.173 -7.623 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.871 0.759 -6.435 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.626 0.559 -7.530 1.00 0.00 C ATOM 0 H VAL A 22 3.678 3.482 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 22 1.399 2.980 -8.631 1.00 0.00 H new ATOM 0 HB VAL A 22 2.492 0.802 -8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.926 -0.329 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.875 1.169 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.426 1.140 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.711 -0.526 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.121 0.935 -6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.050 0.827 -8.416 1.00 0.00 H new ATOM 339 N ARG A 23 -0.060 3.748 -6.779 1.00 0.00 N ATOM 340 CA ARG A 23 -0.911 4.282 -5.722 1.00 0.00 C ATOM 341 C ARG A 23 -1.994 3.278 -5.337 1.00 0.00 C ATOM 342 O ARG A 23 -2.287 2.348 -6.089 1.00 0.00 O ATOM 343 CB ARG A 23 -1.554 5.595 -6.170 1.00 0.00 C ATOM 344 CG ARG A 23 -0.690 6.818 -5.908 1.00 0.00 C ATOM 345 CD ARG A 23 0.678 6.682 -6.559 1.00 0.00 C ATOM 346 NE ARG A 23 1.265 7.982 -6.875 1.00 0.00 N ATOM 347 CZ ARG A 23 0.786 8.796 -7.809 1.00 0.00 C ATOM 348 NH1 ARG A 23 -0.281 8.447 -8.515 1.00 0.00 N ATOM 349 NH2 ARG A 23 1.375 9.963 -8.039 1.00 0.00 N ATOM 0 H ARG A 23 -0.460 3.810 -7.715 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.287 4.471 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.773 5.537 -7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.507 5.717 -5.655 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.190 7.707 -6.291 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.571 6.958 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.345 6.136 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.588 6.093 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 23 2.087 8.281 -6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.737 7.551 -8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.646 9.075 -9.231 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.196 10.235 -7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.007 10.588 -8.756 1.00 0.00 H new ATOM 363 N ILE A 24 -2.585 3.473 -4.163 1.00 0.00 N ATOM 364 CA ILE A 24 -3.635 2.586 -3.680 1.00 0.00 C ATOM 365 C ILE A 24 -4.927 3.354 -3.420 1.00 0.00 C ATOM 366 O ILE A 24 -4.906 4.465 -2.890 1.00 0.00 O ATOM 367 CB ILE A 24 -3.211 1.864 -2.387 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.708 1.581 -2.405 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.997 0.571 -2.221 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.257 0.784 -3.609 1.00 0.00 C ATOM 0 H ILE A 24 -2.354 4.238 -3.529 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.806 1.845 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.430 2.511 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.168 2.528 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.438 1.039 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.687 0.072 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.062 0.797 -2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.806 -0.083 -3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.181 0.621 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.769 -0.178 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.496 1.334 -4.519 1.00 0.00 H new ATOM 382 N THR A 25 -6.052 2.752 -3.794 1.00 0.00 N ATOM 383 CA THR A 25 -7.354 3.378 -3.601 1.00 0.00 C ATOM 384 C THR A 25 -8.475 2.348 -3.673 1.00 0.00 C ATOM 385 O THR A 25 -9.194 2.266 -4.669 1.00 0.00 O ATOM 386 CB THR A 25 -7.611 4.475 -4.652 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.572 5.458 -4.600 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.959 5.141 -4.420 1.00 0.00 C ATOM 0 H THR A 25 -6.087 1.832 -4.232 1.00 0.00 H new ATOM 0 HA THR A 25 -7.344 3.831 -2.609 1.00 0.00 H new ATOM 0 HB THR A 25 -7.619 4.008 -5.637 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.101 5.391 -3.743 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.119 5.912 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.750 4.395 -4.491 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.975 5.594 -3.429 1.00 0.00 H new ATOM 396 N PHE A 26 -8.620 1.563 -2.610 1.00 0.00 N ATOM 397 CA PHE A 26 -9.655 0.537 -2.553 1.00 0.00 C ATOM 398 C PHE A 26 -10.584 0.768 -1.365 1.00 0.00 C ATOM 399 O PHE A 26 -11.690 1.285 -1.520 1.00 0.00 O ATOM 400 CB PHE A 26 -9.021 -0.852 -2.457 1.00 0.00 C ATOM 401 CG PHE A 26 -10.025 -1.967 -2.403 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.548 -2.503 -3.569 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.447 -2.479 -1.186 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.473 -3.530 -3.523 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.371 -3.505 -1.134 1.00 0.00 C ATOM 406 CZ PHE A 26 -11.885 -4.031 -2.303 1.00 0.00 C ATOM 0 H PHE A 26 -8.034 1.618 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.243 0.598 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.367 -1.004 -3.316 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.394 -0.895 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.229 -2.114 -4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.049 -2.071 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.873 -3.940 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.691 -3.896 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.608 -4.833 -2.264 1.00 0.00 H new ATOM 416 N GLU A 27 -10.126 0.379 -0.179 1.00 0.00 N ATOM 417 CA GLU A 27 -10.917 0.542 1.035 1.00 0.00 C ATOM 418 C GLU A 27 -10.215 -0.095 2.231 1.00 0.00 C ATOM 419 O GLU A 27 -9.390 -0.997 2.074 1.00 0.00 O ATOM 420 CB GLU A 27 -12.304 -0.078 0.854 1.00 0.00 C ATOM 421 CG GLU A 27 -13.439 0.925 0.969 1.00 0.00 C ATOM 422 CD GLU A 27 -14.477 0.761 -0.124 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.284 -0.188 -0.037 1.00 0.00 O ATOM 424 OE2 GLU A 27 -14.481 1.580 -1.066 1.00 0.00 O ATOM 0 H GLU A 27 -9.212 -0.051 -0.033 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.027 1.610 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.353 -0.559 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.444 -0.859 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.920 0.814 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.031 1.935 0.929 1.00 0.00 H new ATOM 431 N LEU A 28 -10.548 0.379 3.426 1.00 0.00 N ATOM 432 CA LEU A 28 -9.950 -0.143 4.650 1.00 0.00 C ATOM 433 C LEU A 28 -10.775 0.253 5.871 1.00 0.00 C ATOM 434 O LEU A 28 -11.182 -0.599 6.661 1.00 0.00 O ATOM 435 CB LEU A 28 -8.517 0.371 4.800 1.00 0.00 C ATOM 436 CG LEU A 28 -7.440 -0.695 5.006 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.006 -1.279 3.670 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.247 -0.112 5.748 1.00 0.00 C ATOM 0 H LEU A 28 -11.229 1.124 3.574 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.934 -1.231 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.264 0.947 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.486 1.059 5.645 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.861 -1.498 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.239 -2.036 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.864 -1.734 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.603 -0.486 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.491 -0.885 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.825 0.710 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.569 0.258 6.721 1.00 0.00 H new ATOM 450 N ASP A 29 -11.019 1.551 6.018 1.00 0.00 N ATOM 451 CA ASP A 29 -11.798 2.060 7.140 1.00 0.00 C ATOM 452 C ASP A 29 -12.755 3.157 6.684 1.00 0.00 C ATOM 453 O ASP A 29 -12.817 3.486 5.500 1.00 0.00 O ATOM 454 CB ASP A 29 -10.870 2.596 8.231 1.00 0.00 C ATOM 455 CG ASP A 29 -10.429 1.516 9.199 1.00 0.00 C ATOM 456 OD1 ASP A 29 -10.898 0.367 9.060 1.00 0.00 O ATOM 457 OD2 ASP A 29 -9.613 1.819 10.094 1.00 0.00 O ATOM 0 H ASP A 29 -10.688 2.269 5.374 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.385 1.237 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.991 3.045 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.380 3.387 8.781 1.00 0.00 H new ATOM 462 N GLU A 30 -13.500 3.717 7.632 1.00 0.00 N ATOM 463 CA GLU A 30 -14.455 4.776 7.327 1.00 0.00 C ATOM 464 C GLU A 30 -14.091 6.065 8.057 1.00 0.00 C ATOM 465 O GLU A 30 -14.153 7.154 7.486 1.00 0.00 O ATOM 466 CB GLU A 30 -15.871 4.342 7.710 1.00 0.00 C ATOM 467 CG GLU A 30 -16.519 3.414 6.696 1.00 0.00 C ATOM 468 CD GLU A 30 -17.772 4.006 6.081 1.00 0.00 C ATOM 469 OE1 GLU A 30 -18.717 4.314 6.837 1.00 0.00 O ATOM 470 OE2 GLU A 30 -17.807 4.162 4.842 1.00 0.00 O ATOM 0 H GLU A 30 -13.461 3.455 8.617 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.418 4.965 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.839 3.843 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.494 5.229 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.803 3.188 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.768 2.470 7.180 1.00 0.00 H new ATOM 477 N ARG A 31 -13.712 5.933 9.325 1.00 0.00 N ATOM 478 CA ARG A 31 -13.340 7.087 10.135 1.00 0.00 C ATOM 479 C ARG A 31 -11.934 7.565 9.786 1.00 0.00 C ATOM 480 O ARG A 31 -11.578 8.717 10.037 1.00 0.00 O ATOM 481 CB ARG A 31 -13.418 6.739 11.622 1.00 0.00 C ATOM 482 CG ARG A 31 -14.670 5.965 12.002 1.00 0.00 C ATOM 483 CD ARG A 31 -15.386 6.608 13.179 1.00 0.00 C ATOM 484 NE ARG A 31 -16.441 7.520 12.745 1.00 0.00 N ATOM 485 CZ ARG A 31 -17.252 8.157 13.583 1.00 0.00 C ATOM 486 NH1 ARG A 31 -17.128 7.983 14.892 1.00 0.00 N ATOM 487 NH2 ARG A 31 -18.187 8.972 13.112 1.00 0.00 N ATOM 0 H ARG A 31 -13.655 5.039 9.813 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.042 7.892 9.920 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.541 6.152 11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.380 7.660 12.204 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.344 5.918 11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.402 4.939 12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.816 5.831 13.811 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.665 7.152 13.789 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.562 7.676 11.744 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.409 7.359 15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.752 8.473 15.533 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.284 9.110 12.106 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.809 9.461 13.756 1.00 0.00 H new ATOM 501 N VAL A 32 -11.138 6.672 9.206 1.00 0.00 N ATOM 502 CA VAL A 32 -9.770 7.003 8.822 1.00 0.00 C ATOM 503 C VAL A 32 -9.429 6.425 7.453 1.00 0.00 C ATOM 504 O VAL A 32 -8.363 5.839 7.263 1.00 0.00 O ATOM 505 CB VAL A 32 -8.755 6.480 9.855 1.00 0.00 C ATOM 506 CG1 VAL A 32 -8.856 7.270 11.151 1.00 0.00 C ATOM 507 CG2 VAL A 32 -8.970 4.995 10.109 1.00 0.00 C ATOM 0 H VAL A 32 -11.416 5.714 8.992 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.707 8.090 8.780 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.751 6.615 9.452 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.131 6.886 11.869 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.649 8.322 10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.861 7.169 11.561 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.244 4.642 10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.978 4.833 10.490 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.842 4.444 9.177 1.00 0.00 H new ATOM 517 N ASP A 33 -10.340 6.595 6.501 1.00 0.00 N ATOM 518 CA ASP A 33 -10.136 6.092 5.148 1.00 0.00 C ATOM 519 C ASP A 33 -9.150 6.971 4.385 1.00 0.00 C ATOM 520 O ASP A 33 -8.113 6.500 3.919 1.00 0.00 O ATOM 521 CB ASP A 33 -11.467 6.027 4.398 1.00 0.00 C ATOM 522 CG ASP A 33 -11.534 4.857 3.437 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.924 3.809 3.735 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.196 4.990 2.385 1.00 0.00 O ATOM 0 H ASP A 33 -11.227 7.078 6.642 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.720 5.087 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.282 5.950 5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.615 6.955 3.846 1.00 0.00 H new ATOM 529 N LYS A 34 -9.482 8.252 4.260 1.00 0.00 N ATOM 530 CA LYS A 34 -8.627 9.198 3.553 1.00 0.00 C ATOM 531 C LYS A 34 -7.318 9.417 4.306 1.00 0.00 C ATOM 532 O LYS A 34 -6.340 9.906 3.742 1.00 0.00 O ATOM 533 CB LYS A 34 -9.351 10.533 3.370 1.00 0.00 C ATOM 534 CG LYS A 34 -9.026 11.555 4.446 1.00 0.00 C ATOM 535 CD LYS A 34 -9.502 11.094 5.814 1.00 0.00 C ATOM 536 CE LYS A 34 -10.376 12.144 6.483 1.00 0.00 C ATOM 537 NZ LYS A 34 -9.655 13.436 6.656 1.00 0.00 N ATOM 0 H LYS A 34 -10.337 8.659 4.639 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.397 8.779 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.090 10.948 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.426 10.355 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.950 11.727 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.495 12.507 4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.062 10.165 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.641 10.879 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.273 12.305 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.704 11.778 7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.085 13.972 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.655 13.249 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.720 13.990 5.778 1.00 0.00 H new ATOM 551 N VAL A 35 -7.308 9.050 5.584 1.00 0.00 N ATOM 552 CA VAL A 35 -6.119 9.204 6.414 1.00 0.00 C ATOM 553 C VAL A 35 -4.975 8.336 5.901 1.00 0.00 C ATOM 554 O VAL A 35 -3.820 8.519 6.289 1.00 0.00 O ATOM 555 CB VAL A 35 -6.408 8.838 7.882 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.200 9.141 8.756 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.638 9.579 8.383 1.00 0.00 C ATOM 0 H VAL A 35 -8.110 8.644 6.067 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.828 10.253 6.359 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.608 7.768 7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.423 8.876 9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.345 8.561 8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.965 10.204 8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.828 9.309 9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.469 10.654 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.500 9.307 7.774 1.00 0.00 H new ATOM 567 N LEU A 36 -5.303 7.391 5.028 1.00 0.00 N ATOM 568 CA LEU A 36 -4.302 6.493 4.460 1.00 0.00 C ATOM 569 C LEU A 36 -4.272 6.604 2.939 1.00 0.00 C ATOM 570 O LEU A 36 -3.473 5.945 2.275 1.00 0.00 O ATOM 571 CB LEU A 36 -4.592 5.049 4.872 1.00 0.00 C ATOM 572 CG LEU A 36 -5.756 4.367 4.153 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.245 3.282 3.217 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.738 3.785 5.160 1.00 0.00 C ATOM 0 H LEU A 36 -6.254 7.226 4.697 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.326 6.785 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.692 4.457 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.792 5.031 5.943 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.278 5.116 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.088 2.808 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.582 3.725 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.698 2.534 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.560 3.304 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.228 3.050 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.130 4.584 5.789 1.00 0.00 H new ATOM 586 N ASN A 37 -5.146 7.444 2.394 1.00 0.00 N ATOM 587 CA ASN A 37 -5.218 7.643 0.951 1.00 0.00 C ATOM 588 C ASN A 37 -4.831 9.071 0.579 1.00 0.00 C ATOM 589 O ASN A 37 -4.555 9.366 -0.583 1.00 0.00 O ATOM 590 CB ASN A 37 -6.628 7.336 0.443 1.00 0.00 C ATOM 591 CG ASN A 37 -7.316 8.561 -0.127 1.00 0.00 C ATOM 592 OD1 ASN A 37 -7.580 9.528 0.588 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.612 8.524 -1.421 1.00 0.00 N ATOM 0 H ASN A 37 -5.814 7.998 2.930 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.512 6.960 0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.575 6.563 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.226 6.934 1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.077 9.318 -1.861 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.374 7.701 -1.975 1.00 0.00 H new ATOM 600 N GLU A 38 -4.812 9.952 1.574 1.00 0.00 N ATOM 601 CA GLU A 38 -4.459 11.349 1.350 1.00 0.00 C ATOM 602 C GLU A 38 -3.166 11.706 2.079 1.00 0.00 C ATOM 603 O GLU A 38 -2.402 12.560 1.628 1.00 0.00 O ATOM 604 CB GLU A 38 -5.591 12.265 1.818 1.00 0.00 C ATOM 605 CG GLU A 38 -5.154 13.702 2.051 1.00 0.00 C ATOM 606 CD GLU A 38 -6.179 14.709 1.565 1.00 0.00 C ATOM 607 OE1 GLU A 38 -7.377 14.528 1.864 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.781 15.678 0.885 1.00 0.00 O ATOM 0 H GLU A 38 -5.037 9.723 2.542 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.305 11.492 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.388 12.252 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.011 11.867 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.975 13.856 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.207 13.877 1.540 1.00 0.00 H new ATOM 615 N LYS A 39 -2.928 11.047 3.207 1.00 0.00 N ATOM 616 CA LYS A 39 -1.729 11.293 3.999 1.00 0.00 C ATOM 617 C LYS A 39 -0.566 10.439 3.505 1.00 0.00 C ATOM 618 O LYS A 39 0.593 10.703 3.830 1.00 0.00 O ATOM 619 CB LYS A 39 -1.999 11.000 5.477 1.00 0.00 C ATOM 620 CG LYS A 39 -3.212 11.729 6.029 1.00 0.00 C ATOM 621 CD LYS A 39 -2.890 12.437 7.335 1.00 0.00 C ATOM 622 CE LYS A 39 -4.057 13.288 7.810 1.00 0.00 C ATOM 623 NZ LYS A 39 -3.603 14.446 8.629 1.00 0.00 N ATOM 0 H LYS A 39 -3.550 10.337 3.594 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.459 12.343 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.140 9.927 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.121 11.279 6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.565 12.456 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.023 11.019 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.642 11.700 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.010 13.066 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.617 13.650 6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.739 12.673 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.428 15.001 8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.091 14.100 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.972 15.047 8.061 1.00 0.00 H new ATOM 637 N CYS A 40 -0.881 9.416 2.719 1.00 0.00 N ATOM 638 CA CYS A 40 0.138 8.524 2.179 1.00 0.00 C ATOM 639 C CYS A 40 -0.483 7.490 1.245 1.00 0.00 C ATOM 640 O CYS A 40 -0.789 6.371 1.656 1.00 0.00 O ATOM 641 CB CYS A 40 0.882 7.820 3.315 1.00 0.00 C ATOM 642 SG CYS A 40 -0.199 7.126 4.587 1.00 0.00 S ATOM 0 H CYS A 40 -1.835 9.184 2.441 1.00 0.00 H new ATOM 0 HA CYS A 40 0.845 9.125 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.491 7.020 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.566 8.529 3.782 1.00 0.00 H new ATOM 0 HG CYS A 40 0.064 7.684 5.731 1.00 0.00 H new ATOM 648 N SER A 41 -0.668 7.874 -0.014 1.00 0.00 N ATOM 649 CA SER A 41 -1.259 6.983 -1.006 1.00 0.00 C ATOM 650 C SER A 41 -0.237 6.606 -2.075 1.00 0.00 C ATOM 651 O SER A 41 -0.453 5.682 -2.858 1.00 0.00 O ATOM 652 CB SER A 41 -2.474 7.645 -1.658 1.00 0.00 C ATOM 653 OG SER A 41 -2.282 9.042 -1.795 1.00 0.00 O ATOM 0 H SER A 41 -0.417 8.796 -0.371 1.00 0.00 H new ATOM 0 HA SER A 41 -1.579 6.074 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.651 7.201 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.363 7.454 -1.056 1.00 0.00 H new ATOM 0 HG SER A 41 -2.902 9.517 -1.203 1.00 0.00 H new ATOM 659 N VAL A 42 0.878 7.330 -2.099 1.00 0.00 N ATOM 660 CA VAL A 42 1.935 7.072 -3.070 1.00 0.00 C ATOM 661 C VAL A 42 2.945 6.067 -2.528 1.00 0.00 C ATOM 662 O VAL A 42 3.364 6.152 -1.374 1.00 0.00 O ATOM 663 CB VAL A 42 2.673 8.369 -3.453 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.839 8.065 -4.382 1.00 0.00 C ATOM 665 CG2 VAL A 42 1.712 9.358 -4.096 1.00 0.00 C ATOM 0 H VAL A 42 1.072 8.099 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 42 1.456 6.659 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 42 3.071 8.822 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.349 8.993 -4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.538 7.395 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.467 7.589 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.250 10.269 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.283 8.916 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.914 9.599 -3.394 1.00 0.00 H new ATOM 675 N TYR A 43 3.333 5.115 -3.370 1.00 0.00 N ATOM 676 CA TYR A 43 4.294 4.092 -2.976 1.00 0.00 C ATOM 677 C TYR A 43 5.226 3.745 -4.132 1.00 0.00 C ATOM 678 O TYR A 43 4.880 3.923 -5.301 1.00 0.00 O ATOM 679 CB TYR A 43 3.564 2.834 -2.500 1.00 0.00 C ATOM 680 CG TYR A 43 2.539 3.101 -1.420 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.276 3.585 -1.738 1.00 0.00 C ATOM 682 CD2 TYR A 43 2.834 2.868 -0.082 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.337 3.830 -0.755 1.00 0.00 C ATOM 684 CE2 TYR A 43 1.901 3.110 0.907 1.00 0.00 C ATOM 685 CZ TYR A 43 0.655 3.591 0.566 1.00 0.00 C ATOM 686 OH TYR A 43 -0.278 3.834 1.548 1.00 0.00 O ATOM 0 H TYR A 43 2.997 5.031 -4.329 1.00 0.00 H new ATOM 0 HA TYR A 43 4.894 4.489 -2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.069 2.367 -3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.296 2.119 -2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.024 3.773 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.809 2.491 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.640 4.206 -1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.146 2.923 1.942 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.646 4.735 1.434 1.00 0.00 H new ATOM 696 N THR A 44 6.413 3.247 -3.798 1.00 0.00 N ATOM 697 CA THR A 44 7.397 2.875 -4.807 1.00 0.00 C ATOM 698 C THR A 44 7.618 1.367 -4.829 1.00 0.00 C ATOM 699 O THR A 44 7.586 0.709 -3.789 1.00 0.00 O ATOM 700 CB THR A 44 8.746 3.577 -4.562 1.00 0.00 C ATOM 701 OG1 THR A 44 8.562 4.702 -3.696 1.00 0.00 O ATOM 702 CG2 THR A 44 9.364 4.036 -5.874 1.00 0.00 C ATOM 0 H THR A 44 6.716 3.092 -2.836 1.00 0.00 H new ATOM 0 HA THR A 44 6.999 3.195 -5.770 1.00 0.00 H new ATOM 0 HB THR A 44 9.422 2.863 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.424 5.142 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.316 4.529 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.530 3.173 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.690 4.735 -6.369 1.00 0.00 H new ATOM 710 N VAL A 45 7.844 0.824 -6.021 1.00 0.00 N ATOM 711 CA VAL A 45 8.073 -0.607 -6.179 1.00 0.00 C ATOM 712 C VAL A 45 9.286 -0.876 -7.062 1.00 0.00 C ATOM 713 O VAL A 45 9.290 -0.540 -8.246 1.00 0.00 O ATOM 714 CB VAL A 45 6.844 -1.309 -6.786 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.332 -0.539 -7.994 1.00 0.00 C ATOM 716 CG2 VAL A 45 7.181 -2.744 -7.162 1.00 0.00 C ATOM 0 H VAL A 45 7.873 1.354 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 45 8.257 -1.009 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 45 6.053 -1.331 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.463 -1.050 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.049 0.469 -7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.116 -0.483 -8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.301 -3.224 -7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.988 -2.748 -7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.496 -3.289 -6.272 1.00 0.00 H new ATOM 726 N GLU A 46 10.314 -1.485 -6.478 1.00 0.00 N ATOM 727 CA GLU A 46 11.533 -1.799 -7.213 1.00 0.00 C ATOM 728 C GLU A 46 11.263 -2.839 -8.296 1.00 0.00 C ATOM 729 O GLU A 46 10.385 -3.689 -8.150 1.00 0.00 O ATOM 730 CB GLU A 46 12.614 -2.309 -6.258 1.00 0.00 C ATOM 731 CG GLU A 46 13.990 -1.724 -6.527 1.00 0.00 C ATOM 732 CD GLU A 46 14.854 -1.669 -5.282 1.00 0.00 C ATOM 733 OE1 GLU A 46 14.311 -1.385 -4.194 1.00 0.00 O ATOM 734 OE2 GLU A 46 16.074 -1.910 -5.397 1.00 0.00 O ATOM 0 H GLU A 46 10.326 -1.770 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 46 11.884 -0.885 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.323 -2.074 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.669 -3.395 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.493 -2.322 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.880 -0.719 -6.933 1.00 0.00 H new ATOM 741 N SER A 47 12.025 -2.765 -9.383 1.00 0.00 N ATOM 742 CA SER A 47 11.866 -3.697 -10.493 1.00 0.00 C ATOM 743 C SER A 47 11.994 -5.140 -10.014 1.00 0.00 C ATOM 744 O SER A 47 11.459 -6.060 -10.630 1.00 0.00 O ATOM 745 CB SER A 47 12.907 -3.414 -11.577 1.00 0.00 C ATOM 746 OG SER A 47 12.382 -3.671 -12.868 1.00 0.00 O ATOM 0 H SER A 47 12.758 -2.069 -9.518 1.00 0.00 H new ATOM 0 HA SER A 47 10.869 -3.558 -10.911 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.230 -2.375 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.788 -4.033 -11.410 1.00 0.00 H new ATOM 0 HG SER A 47 13.066 -3.481 -13.543 1.00 0.00 H new ATOM 752 N GLY A 48 12.708 -5.328 -8.908 1.00 0.00 N ATOM 753 CA GLY A 48 12.894 -6.661 -8.364 1.00 0.00 C ATOM 754 C GLY A 48 12.138 -6.868 -7.066 1.00 0.00 C ATOM 755 O GLY A 48 12.734 -6.903 -5.989 1.00 0.00 O ATOM 0 H GLY A 48 13.160 -4.582 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.563 -7.398 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.956 -6.836 -8.194 1.00 0.00 H new ATOM 759 N THR A 49 10.819 -7.004 -7.167 1.00 0.00 N ATOM 760 CA THR A 49 9.980 -7.206 -5.993 1.00 0.00 C ATOM 761 C THR A 49 8.869 -8.211 -6.277 1.00 0.00 C ATOM 762 O THR A 49 8.596 -8.536 -7.432 1.00 0.00 O ATOM 763 CB THR A 49 9.350 -5.883 -5.519 1.00 0.00 C ATOM 764 OG1 THR A 49 10.234 -4.792 -5.799 1.00 0.00 O ATOM 765 CG2 THR A 49 9.052 -5.930 -4.028 1.00 0.00 C ATOM 0 H THR A 49 10.309 -6.978 -8.050 1.00 0.00 H new ATOM 0 HA THR A 49 10.626 -7.595 -5.206 1.00 0.00 H new ATOM 0 HB THR A 49 8.413 -5.739 -6.057 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.967 -4.362 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.608 -4.985 -3.716 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.357 -6.744 -3.821 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.978 -6.095 -3.477 1.00 0.00 H new ATOM 773 N GLU A 50 8.233 -8.699 -5.217 1.00 0.00 N ATOM 774 CA GLU A 50 7.152 -9.667 -5.355 1.00 0.00 C ATOM 775 C GLU A 50 5.818 -9.056 -4.936 1.00 0.00 C ATOM 776 O GLU A 50 5.772 -8.137 -4.119 1.00 0.00 O ATOM 777 CB GLU A 50 7.442 -10.912 -4.513 1.00 0.00 C ATOM 778 CG GLU A 50 8.043 -12.058 -5.309 1.00 0.00 C ATOM 779 CD GLU A 50 7.130 -13.266 -5.374 1.00 0.00 C ATOM 780 OE1 GLU A 50 6.810 -13.825 -4.304 1.00 0.00 O ATOM 781 OE2 GLU A 50 6.735 -13.653 -6.493 1.00 0.00 O ATOM 0 H GLU A 50 8.448 -8.440 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 50 7.087 -9.954 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.124 -10.644 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.516 -11.250 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.261 -11.717 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.992 -12.349 -4.859 1.00 0.00 H new ATOM 788 N VAL A 51 4.732 -9.575 -5.502 1.00 0.00 N ATOM 789 CA VAL A 51 3.397 -9.082 -5.188 1.00 0.00 C ATOM 790 C VAL A 51 3.071 -9.279 -3.712 1.00 0.00 C ATOM 791 O VAL A 51 2.159 -8.649 -3.175 1.00 0.00 O ATOM 792 CB VAL A 51 2.323 -9.788 -6.038 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.982 -9.084 -5.897 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.753 -9.847 -7.496 1.00 0.00 C ATOM 0 H VAL A 51 4.752 -10.337 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 51 3.391 -8.017 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 51 2.209 -10.809 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.236 -9.597 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.672 -9.099 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.076 -8.051 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.983 -10.349 -8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.895 -8.835 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.689 -10.400 -7.577 1.00 0.00 H new ATOM 804 N THR A 52 3.823 -10.159 -3.058 1.00 0.00 N ATOM 805 CA THR A 52 3.615 -10.441 -1.643 1.00 0.00 C ATOM 806 C THR A 52 4.463 -9.524 -0.769 1.00 0.00 C ATOM 807 O THR A 52 4.149 -9.300 0.399 1.00 0.00 O ATOM 808 CB THR A 52 3.950 -11.906 -1.307 1.00 0.00 C ATOM 809 OG1 THR A 52 3.839 -12.122 0.104 1.00 0.00 O ATOM 810 CG2 THR A 52 5.355 -12.260 -1.770 1.00 0.00 C ATOM 0 H THR A 52 4.582 -10.689 -3.486 1.00 0.00 H new ATOM 0 HA THR A 52 2.560 -10.261 -1.437 1.00 0.00 H new ATOM 0 HB THR A 52 3.240 -12.547 -1.830 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.052 -13.056 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.569 -13.300 -1.522 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.428 -12.122 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.076 -11.612 -1.272 1.00 0.00 H new ATOM 818 N GLU A 53 5.540 -8.995 -1.344 1.00 0.00 N ATOM 819 CA GLU A 53 6.433 -8.102 -0.615 1.00 0.00 C ATOM 820 C GLU A 53 5.715 -6.813 -0.226 1.00 0.00 C ATOM 821 O GLU A 53 6.001 -6.220 0.814 1.00 0.00 O ATOM 822 CB GLU A 53 7.666 -7.777 -1.461 1.00 0.00 C ATOM 823 CG GLU A 53 8.974 -7.886 -0.696 1.00 0.00 C ATOM 824 CD GLU A 53 9.809 -9.073 -1.136 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.371 -10.222 -0.915 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.901 -8.854 -1.701 1.00 0.00 O ATOM 0 H GLU A 53 5.814 -9.170 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 53 6.750 -8.610 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.698 -8.452 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.569 -6.766 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.549 -6.970 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.762 -7.971 0.370 1.00 0.00 H new ATOM 833 N PHE A 54 4.781 -6.385 -1.069 1.00 0.00 N ATOM 834 CA PHE A 54 4.022 -5.166 -0.815 1.00 0.00 C ATOM 835 C PHE A 54 2.940 -5.407 0.233 1.00 0.00 C ATOM 836 O PHE A 54 2.438 -4.468 0.850 1.00 0.00 O ATOM 837 CB PHE A 54 3.388 -4.655 -2.111 1.00 0.00 C ATOM 838 CG PHE A 54 4.261 -4.840 -3.319 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.490 -4.207 -3.405 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.853 -5.648 -4.368 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.296 -4.375 -4.516 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.654 -5.820 -5.481 1.00 0.00 C ATOM 843 CZ PHE A 54 5.877 -5.182 -5.555 1.00 0.00 C ATOM 0 H PHE A 54 4.532 -6.864 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 54 4.711 -4.412 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.443 -5.173 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.156 -3.596 -1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.823 -3.575 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.898 -6.149 -4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.252 -3.876 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.324 -6.452 -6.292 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.504 -5.314 -6.424 1.00 0.00 H new ATOM 853 N ALA A 55 2.586 -6.673 0.429 1.00 0.00 N ATOM 854 CA ALA A 55 1.566 -7.039 1.403 1.00 0.00 C ATOM 855 C ALA A 55 2.093 -6.906 2.828 1.00 0.00 C ATOM 856 O ALA A 55 1.319 -6.850 3.784 1.00 0.00 O ATOM 857 CB ALA A 55 1.078 -8.457 1.149 1.00 0.00 C ATOM 0 H ALA A 55 2.991 -7.462 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 55 0.728 -6.352 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.316 -8.717 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.653 -8.521 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.915 -9.150 1.233 1.00 0.00 H new ATOM 863 N CYS A 56 3.414 -6.856 2.962 1.00 0.00 N ATOM 864 CA CYS A 56 4.045 -6.731 4.271 1.00 0.00 C ATOM 865 C CYS A 56 4.705 -5.365 4.429 1.00 0.00 C ATOM 866 O CYS A 56 5.530 -5.161 5.319 1.00 0.00 O ATOM 867 CB CYS A 56 5.083 -7.838 4.467 1.00 0.00 C ATOM 868 SG CYS A 56 4.750 -8.922 5.875 1.00 0.00 S ATOM 0 H CYS A 56 4.068 -6.900 2.181 1.00 0.00 H new ATOM 0 HA CYS A 56 3.270 -6.830 5.031 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.130 -8.442 3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.064 -7.382 4.597 1.00 0.00 H new ATOM 0 HG CYS A 56 5.681 -9.826 5.956 1.00 0.00 H new ATOM 874 N VAL A 57 4.336 -4.432 3.557 1.00 0.00 N ATOM 875 CA VAL A 57 4.892 -3.084 3.599 1.00 0.00 C ATOM 876 C VAL A 57 3.797 -2.045 3.809 1.00 0.00 C ATOM 877 O VAL A 57 4.020 -1.010 4.437 1.00 0.00 O ATOM 878 CB VAL A 57 5.658 -2.753 2.305 1.00 0.00 C ATOM 879 CG1 VAL A 57 6.183 -1.326 2.346 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.793 -3.742 2.090 1.00 0.00 C ATOM 0 H VAL A 57 3.655 -4.584 2.813 1.00 0.00 H new ATOM 0 HA VAL A 57 5.585 -3.053 4.440 1.00 0.00 H new ATOM 0 HB VAL A 57 4.970 -2.837 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.722 -1.110 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.347 -0.634 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.857 -1.210 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.323 -3.493 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.483 -3.692 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.387 -4.751 2.013 1.00 0.00 H new ATOM 890 N VAL A 58 2.611 -2.327 3.279 1.00 0.00 N ATOM 891 CA VAL A 58 1.479 -1.417 3.409 1.00 0.00 C ATOM 892 C VAL A 58 0.663 -1.729 4.658 1.00 0.00 C ATOM 893 O VAL A 58 -0.091 -0.888 5.146 1.00 0.00 O ATOM 894 CB VAL A 58 0.557 -1.487 2.177 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.481 -0.377 2.222 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.375 -1.412 0.896 1.00 0.00 C ATOM 0 H VAL A 58 2.409 -3.179 2.755 1.00 0.00 H new ATOM 0 HA VAL A 58 1.891 -0.411 3.489 1.00 0.00 H new ATOM 0 HB VAL A 58 0.032 -2.442 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.123 -0.443 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.086 -0.481 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.021 0.590 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.708 -1.463 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.928 -0.473 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.075 -2.246 0.862 1.00 0.00 H new ATOM 906 N ALA A 59 0.821 -2.945 5.172 1.00 0.00 N ATOM 907 CA ALA A 59 0.101 -3.368 6.367 1.00 0.00 C ATOM 908 C ALA A 59 0.665 -2.696 7.614 1.00 0.00 C ATOM 909 O ALA A 59 -0.035 -2.539 8.615 1.00 0.00 O ATOM 910 CB ALA A 59 0.158 -4.882 6.509 1.00 0.00 C ATOM 0 H ALA A 59 1.441 -3.654 4.780 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.940 -3.063 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.384 -5.184 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.299 -5.347 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.197 -5.201 6.588 1.00 0.00 H new ATOM 916 N GLU A 60 1.933 -2.303 7.547 1.00 0.00 N ATOM 917 CA GLU A 60 2.590 -1.650 8.673 1.00 0.00 C ATOM 918 C GLU A 60 2.439 -0.134 8.586 1.00 0.00 C ATOM 919 O GLU A 60 2.190 0.535 9.589 1.00 0.00 O ATOM 920 CB GLU A 60 4.073 -2.024 8.715 1.00 0.00 C ATOM 921 CG GLU A 60 4.834 -1.635 7.459 1.00 0.00 C ATOM 922 CD GLU A 60 6.268 -2.127 7.470 1.00 0.00 C ATOM 923 OE1 GLU A 60 6.473 -3.358 7.417 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.186 -1.282 7.532 1.00 0.00 O ATOM 0 H GLU A 60 2.525 -2.425 6.726 1.00 0.00 H new ATOM 0 HA GLU A 60 2.110 -1.994 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.537 -1.541 9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.164 -3.100 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.321 -2.041 6.587 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.827 -0.550 7.356 1.00 0.00 H new ATOM 931 N ALA A 61 2.593 0.402 7.379 1.00 0.00 N ATOM 932 CA ALA A 61 2.473 1.838 7.160 1.00 0.00 C ATOM 933 C ALA A 61 1.084 2.337 7.543 1.00 0.00 C ATOM 934 O ALA A 61 0.943 3.376 8.189 1.00 0.00 O ATOM 935 CB ALA A 61 2.776 2.177 5.708 1.00 0.00 C ATOM 0 H ALA A 61 2.801 -0.137 6.538 1.00 0.00 H new ATOM 0 HA ALA A 61 3.200 2.340 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.683 3.253 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.791 1.864 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.071 1.658 5.058 1.00 0.00 H new ATOM 941 N VAL A 62 0.060 1.592 7.139 1.00 0.00 N ATOM 942 CA VAL A 62 -1.318 1.960 7.440 1.00 0.00 C ATOM 943 C VAL A 62 -1.543 2.065 8.945 1.00 0.00 C ATOM 944 O VAL A 62 -2.253 2.953 9.416 1.00 0.00 O ATOM 945 CB VAL A 62 -2.312 0.939 6.855 1.00 0.00 C ATOM 946 CG1 VAL A 62 -2.295 0.988 5.335 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.993 -0.462 7.355 1.00 0.00 C ATOM 0 H VAL A 62 0.159 0.730 6.603 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.493 2.933 6.980 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.315 1.201 7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.003 0.260 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.576 1.987 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.294 0.753 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.705 -1.170 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.983 -0.736 7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.062 -0.485 8.443 1.00 0.00 H new ATOM 957 N VAL A 63 -0.931 1.154 9.694 1.00 0.00 N ATOM 958 CA VAL A 63 -1.062 1.145 11.146 1.00 0.00 C ATOM 959 C VAL A 63 -0.506 2.427 11.756 1.00 0.00 C ATOM 960 O VAL A 63 -1.246 3.229 12.327 1.00 0.00 O ATOM 961 CB VAL A 63 -0.337 -0.063 11.768 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.388 0.007 13.287 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.943 -1.364 11.265 1.00 0.00 C ATOM 0 H VAL A 63 -0.339 0.412 9.319 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.127 1.073 11.367 1.00 0.00 H new ATOM 0 HB VAL A 63 0.709 -0.034 11.462 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.129 -0.855 13.709 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.097 0.923 13.626 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.427 0.003 13.617 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.419 -2.207 11.715 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.997 -1.404 11.539 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.848 -1.414 10.180 1.00 0.00 H new ATOM 973 N LYS A 64 0.803 2.615 11.631 1.00 0.00 N ATOM 974 CA LYS A 64 1.461 3.801 12.168 1.00 0.00 C ATOM 975 C LYS A 64 0.747 5.071 11.716 1.00 0.00 C ATOM 976 O LYS A 64 0.743 6.079 12.423 1.00 0.00 O ATOM 977 CB LYS A 64 2.925 3.841 11.725 1.00 0.00 C ATOM 978 CG LYS A 64 3.116 3.630 10.233 1.00 0.00 C ATOM 979 CD LYS A 64 4.572 3.369 9.888 1.00 0.00 C ATOM 980 CE LYS A 64 4.866 1.880 9.802 1.00 0.00 C ATOM 981 NZ LYS A 64 6.251 1.561 10.249 1.00 0.00 N ATOM 0 H LYS A 64 1.430 1.961 11.162 1.00 0.00 H new ATOM 0 HA LYS A 64 1.418 3.749 13.256 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.354 4.803 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.480 3.075 12.266 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.507 2.789 9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.765 4.509 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.812 3.844 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.213 3.825 10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.151 1.333 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.729 1.541 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.412 0.536 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.934 2.063 9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.375 1.861 11.237 1.00 0.00 H new ATOM 995 N THR A 65 0.141 5.015 10.534 1.00 0.00 N ATOM 996 CA THR A 65 -0.576 6.160 9.988 1.00 0.00 C ATOM 997 C THR A 65 -1.942 6.318 10.647 1.00 0.00 C ATOM 998 O THR A 65 -2.409 7.436 10.871 1.00 0.00 O ATOM 999 CB THR A 65 -0.766 6.030 8.465 1.00 0.00 C ATOM 1000 OG1 THR A 65 0.508 5.901 7.822 1.00 0.00 O ATOM 1001 CG2 THR A 65 -1.501 7.239 7.906 1.00 0.00 C ATOM 0 H THR A 65 0.133 4.188 9.937 1.00 0.00 H new ATOM 0 HA THR A 65 0.030 7.041 10.197 1.00 0.00 H new ATOM 0 HB THR A 65 -1.363 5.139 8.270 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.717 4.952 7.698 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.623 7.124 6.829 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.481 7.318 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.926 8.142 8.112 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.578 5.194 10.955 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.892 5.207 11.590 1.00 0.00 C ATOM 1011 C LEU A 66 -3.793 4.795 13.055 1.00 0.00 C ATOM 1012 O LEU A 66 -4.386 3.800 13.470 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.848 4.272 10.848 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.994 4.515 9.346 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -6.238 3.823 8.811 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -5.042 6.007 9.049 1.00 0.00 C ATOM 0 H LEU A 66 -2.206 4.261 10.776 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.281 6.224 11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.511 3.246 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.833 4.354 11.306 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.124 4.092 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.325 4.007 7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.163 2.750 8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.119 4.215 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.146 6.161 7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.893 6.453 9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.121 6.477 9.395 1.00 0.00 H new ATOM 1028 N GLN A 67 -3.041 5.567 13.833 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.866 5.281 15.252 1.00 0.00 C ATOM 1030 C GLN A 67 -3.199 6.506 16.099 1.00 0.00 C ATOM 1031 O GLN A 67 -2.576 6.767 17.128 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.431 4.829 15.530 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.181 3.365 15.205 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.956 2.522 16.445 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.871 2.311 17.241 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.268 2.035 16.615 1.00 0.00 N ATOM 0 H GLN A 67 -2.544 6.395 13.505 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.551 4.477 15.522 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.746 5.444 14.947 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.201 5.004 16.581 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.032 2.969 14.651 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.311 3.285 14.553 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.996 2.235 15.930 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.480 1.461 17.431 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.204 7.276 15.657 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.643 8.485 16.359 1.00 0.00 C ATOM 1047 C PRO A 68 -5.335 8.169 17.681 1.00 0.00 C ATOM 1048 O PRO A 68 -4.990 8.727 18.723 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.628 9.127 15.379 1.00 0.00 C ATOM 1050 CG PRO A 68 -6.134 7.994 14.554 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.991 7.024 14.438 1.00 0.00 C ATOM 0 HA PRO A 68 -3.805 9.129 16.624 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.441 9.627 15.905 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.138 9.879 14.761 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.998 7.524 15.024 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.454 8.339 13.571 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.342 5.993 14.392 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.404 7.201 13.537 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.313 7.271 17.631 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.053 6.880 18.825 1.00 0.00 C ATOM 1061 C VAL A 69 -7.666 5.493 18.662 1.00 0.00 C ATOM 1062 O VAL A 69 -8.874 5.356 18.468 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.172 7.888 19.148 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.595 9.132 19.808 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.941 8.252 17.887 1.00 0.00 C ATOM 0 H VAL A 69 -6.612 6.800 16.777 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.339 6.865 19.648 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.866 7.423 19.848 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.400 9.833 20.029 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.092 8.853 20.734 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.879 9.602 19.134 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.728 8.965 18.134 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.261 8.699 17.162 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.387 7.353 17.460 1.00 0.00 H new ATOM 1075 N SER A 70 -6.825 4.467 18.742 1.00 0.00 N ATOM 1076 CA SER A 70 -7.283 3.090 18.601 1.00 0.00 C ATOM 1077 C SER A 70 -8.301 2.742 19.682 1.00 0.00 C ATOM 1078 O SER A 70 -9.056 1.778 19.552 1.00 0.00 O ATOM 1079 CB SER A 70 -6.097 2.126 18.672 1.00 0.00 C ATOM 1080 OG SER A 70 -5.166 2.535 19.660 1.00 0.00 O ATOM 0 H SER A 70 -5.823 4.563 18.904 1.00 0.00 H new ATOM 0 HA SER A 70 -7.765 2.992 17.628 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.454 1.121 18.898 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.604 2.078 17.701 1.00 0.00 H new ATOM 0 HG SER A 70 -4.418 1.902 19.687 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.316 3.535 20.748 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.243 3.313 21.852 1.00 0.00 C ATOM 1088 C ASP A 71 -10.687 3.330 21.362 1.00 0.00 C ATOM 1089 O ASP A 71 -11.587 2.817 22.030 1.00 0.00 O ATOM 1090 CB ASP A 71 -9.045 4.376 22.934 1.00 0.00 C ATOM 1091 CG ASP A 71 -9.622 5.721 22.536 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -10.853 5.895 22.649 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -8.841 6.598 22.111 1.00 0.00 O ATOM 0 H ASP A 71 -7.697 4.337 20.871 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.035 2.331 22.276 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.515 4.041 23.859 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.980 4.487 23.140 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.903 3.924 20.194 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.238 4.010 19.614 1.00 0.00 C ATOM 1100 C LEU A 72 -12.503 2.834 18.679 1.00 0.00 C ATOM 1101 O LEU A 72 -13.482 2.105 18.841 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.403 5.327 18.855 1.00 0.00 C ATOM 1103 CG LEU A 72 -12.587 6.579 19.714 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.470 7.833 18.862 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -13.929 6.541 20.429 1.00 0.00 C ATOM 0 H LEU A 72 -10.170 4.354 19.630 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.963 3.974 20.427 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.527 5.471 18.222 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.264 5.236 18.192 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.798 6.601 20.465 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.604 8.714 19.490 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.485 7.866 18.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.237 7.820 18.088 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.044 7.439 21.036 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.732 6.495 19.693 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.974 5.661 21.071 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.622 2.654 17.700 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.758 1.565 16.739 1.00 0.00 C ATOM 1119 C LEU A 73 -11.918 0.226 17.452 1.00 0.00 C ATOM 1120 O LEU A 73 -12.717 -0.617 17.043 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.542 1.521 15.813 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.258 2.794 15.015 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -11.503 3.664 14.938 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -9.103 3.566 15.635 1.00 0.00 C ATOM 0 H LEU A 73 -10.806 3.248 17.551 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.653 1.748 16.144 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.662 1.289 16.413 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.675 0.698 15.111 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.975 2.509 14.002 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.282 4.565 14.366 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.304 3.111 14.448 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.817 3.940 15.945 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.915 4.469 15.054 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.357 3.840 16.659 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.208 2.943 15.637 1.00 0.00 H new ATOM 1136 N THR A 74 -11.155 0.038 18.524 1.00 0.00 N ATOM 1137 CA THR A 74 -11.212 -1.197 19.296 1.00 0.00 C ATOM 1138 C THR A 74 -12.519 -1.299 20.075 1.00 0.00 C ATOM 1139 O THR A 74 -12.972 -2.394 20.405 1.00 0.00 O ATOM 1140 CB THR A 74 -10.032 -1.301 20.280 1.00 0.00 C ATOM 1141 OG1 THR A 74 -8.837 -0.808 19.664 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.822 -2.740 20.725 1.00 0.00 C ATOM 0 H THR A 74 -10.490 0.726 18.877 1.00 0.00 H new ATOM 0 HA THR A 74 -11.152 -2.018 18.582 1.00 0.00 H new ATOM 0 HB THR A 74 -10.265 -0.697 21.157 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.700 0.128 19.919 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.983 -2.787 21.419 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.723 -3.103 21.219 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.609 -3.362 19.856 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.120 -0.150 20.364 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.376 -0.110 21.105 1.00 0.00 C ATOM 1152 C ASN A 75 -15.545 -0.521 20.216 1.00 0.00 C ATOM 1153 O ASN A 75 -16.538 -1.071 20.693 1.00 0.00 O ATOM 1154 CB ASN A 75 -14.617 1.293 21.667 1.00 0.00 C ATOM 1155 CG ASN A 75 -14.210 1.410 23.123 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -14.203 0.423 23.859 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -13.869 2.621 23.546 1.00 0.00 N ATOM 0 H ASN A 75 -12.758 0.766 20.097 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.304 -0.817 21.931 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.058 2.019 21.077 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -15.673 1.546 21.566 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.587 2.762 24.516 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.889 3.411 22.901 1.00 0.00 H new ATOM 1164 N MET A 76 -15.420 -0.251 18.920 1.00 0.00 N ATOM 1165 CA MET A 76 -16.466 -0.595 17.964 1.00 0.00 C ATOM 1166 C MET A 76 -16.257 -2.001 17.412 1.00 0.00 C ATOM 1167 O MET A 76 -17.214 -2.690 17.062 1.00 0.00 O ATOM 1168 CB MET A 76 -16.491 0.418 16.817 1.00 0.00 C ATOM 1169 CG MET A 76 -16.456 1.864 17.283 1.00 0.00 C ATOM 1170 SD MET A 76 -16.558 3.036 15.916 1.00 0.00 S ATOM 1171 CE MET A 76 -14.824 3.246 15.521 1.00 0.00 C ATOM 0 H MET A 76 -14.605 0.205 18.509 1.00 0.00 H new ATOM 0 HA MET A 76 -17.423 -0.567 18.485 1.00 0.00 H new ATOM 0 HB2 MET A 76 -15.639 0.235 16.163 1.00 0.00 H new ATOM 0 HB3 MET A 76 -17.390 0.258 16.222 1.00 0.00 H new ATOM 0 HG2 MET A 76 -17.283 2.040 17.970 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.536 2.040 17.840 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.694 4.145 14.919 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.250 3.341 16.443 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.471 2.380 14.961 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.997 -2.421 17.335 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.686 -3.743 16.824 1.00 0.00 C ATOM 1183 C GLY A 77 -13.412 -3.762 16.003 1.00 0.00 C ATOM 1184 O GLY A 77 -12.653 -4.731 16.045 1.00 0.00 O ATOM 0 H GLY A 77 -14.187 -1.869 17.617 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.587 -4.438 17.658 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.515 -4.097 16.211 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.176 -2.690 15.254 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.985 -2.588 14.420 1.00 0.00 C ATOM 1190 C ILE A 78 -10.718 -2.602 15.267 1.00 0.00 C ATOM 1191 O ILE A 78 -10.418 -1.636 15.970 1.00 0.00 O ATOM 1192 CB ILE A 78 -12.005 -1.307 13.566 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.158 -1.355 12.561 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.676 -1.130 12.846 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.317 -0.080 11.763 1.00 0.00 C ATOM 0 H ILE A 78 -13.794 -1.880 15.208 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.986 -3.455 13.760 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.157 -0.452 14.224 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.997 -2.186 11.874 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.086 -1.558 13.095 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.705 -0.220 12.246 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.872 -1.056 13.579 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.497 -1.987 12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.153 -0.186 11.071 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.510 0.752 12.441 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.403 0.114 11.201 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.976 -3.701 15.194 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.738 -3.840 15.952 1.00 0.00 C ATOM 1209 C ASP A 79 -7.565 -3.226 15.194 1.00 0.00 C ATOM 1210 O ASP A 79 -7.377 -3.486 14.005 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.457 -5.314 16.246 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.279 -5.586 17.726 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.729 -4.712 18.429 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.691 -6.673 18.183 1.00 0.00 O ATOM 0 H ASP A 79 -10.210 -4.509 14.617 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.857 -3.307 16.895 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.278 -5.920 15.865 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.558 -5.623 15.712 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.779 -2.411 15.889 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.624 -1.759 15.282 1.00 0.00 C ATOM 1221 C LEU A 80 -4.370 -2.612 15.445 1.00 0.00 C ATOM 1222 O LEU A 80 -3.471 -2.578 14.604 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.403 -0.381 15.908 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.679 0.644 15.035 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.210 0.281 14.892 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.342 0.744 13.669 1.00 0.00 C ATOM 0 H LEU A 80 -6.921 -2.186 16.874 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.824 -1.639 14.217 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.374 0.029 16.186 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.835 -0.509 16.830 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.745 1.618 15.521 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.711 1.022 14.267 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.742 0.262 15.876 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.121 -0.702 14.430 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.814 1.478 13.061 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.308 -0.228 13.176 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.380 1.053 13.790 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.317 -3.375 16.530 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.174 -4.240 16.802 1.00 0.00 C ATOM 1240 C ASP A 81 -3.177 -5.453 15.877 1.00 0.00 C ATOM 1241 O ASP A 81 -2.164 -6.135 15.730 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.188 -4.696 18.262 1.00 0.00 C ATOM 1243 CG ASP A 81 -2.098 -4.039 19.085 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -0.955 -3.945 18.589 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -2.387 -3.618 20.224 1.00 0.00 O ATOM 0 H ASP A 81 -5.052 -3.413 17.236 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.265 -3.668 16.617 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.159 -4.467 18.702 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.067 -5.779 18.302 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.324 -5.714 15.257 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.459 -6.846 14.347 1.00 0.00 C ATOM 1252 C GLU A 82 -3.990 -6.475 12.943 1.00 0.00 C ATOM 1253 O GLU A 82 -3.492 -7.321 12.200 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.912 -7.322 14.302 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.769 -6.566 13.301 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.254 -6.771 13.531 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.636 -7.857 14.013 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.034 -5.843 13.230 1.00 0.00 O ATOM 0 H GLU A 82 -5.172 -5.158 15.368 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.830 -7.655 14.719 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.930 -8.383 14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.350 -7.218 15.295 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.539 -5.502 13.362 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.513 -6.890 12.292 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.152 -5.206 12.588 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.746 -4.723 11.273 1.00 0.00 C ATOM 1267 C TRP A 83 -2.318 -5.149 10.954 1.00 0.00 C ATOM 1268 O TRP A 83 -2.051 -5.710 9.891 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.863 -3.199 11.209 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.262 -2.720 10.966 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.419 -3.370 11.291 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.651 -1.490 10.344 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.504 -2.618 10.909 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.060 -1.460 10.327 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.948 -0.411 9.803 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.774 -0.393 9.788 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.658 0.646 9.268 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.060 0.650 9.264 1.00 0.00 C ATOM 0 H TRP A 83 -4.561 -4.493 13.192 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.411 -5.163 10.530 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.499 -2.774 12.144 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.216 -2.825 10.416 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.473 -4.333 11.777 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.481 -2.880 11.038 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.868 -0.403 9.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.854 -0.389 9.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.124 1.484 8.845 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.586 1.492 8.839 1.00 0.00 H new ATOM 1289 N SER A 84 -1.403 -4.881 11.880 1.00 0.00 N ATOM 1290 CA SER A 84 -0.001 -5.235 11.695 1.00 0.00 C ATOM 1291 C SER A 84 0.159 -6.739 11.498 1.00 0.00 C ATOM 1292 O SER A 84 0.910 -7.187 10.632 1.00 0.00 O ATOM 1293 CB SER A 84 0.826 -4.776 12.897 1.00 0.00 C ATOM 1294 OG SER A 84 1.866 -3.899 12.497 1.00 0.00 O ATOM 0 H SER A 84 -1.608 -4.420 12.766 1.00 0.00 H new ATOM 0 HA SER A 84 0.360 -4.729 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.179 -4.274 13.617 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.252 -5.643 13.402 1.00 0.00 H new ATOM 0 HG SER A 84 2.379 -3.619 13.284 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.554 -7.514 12.309 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.494 -8.969 12.224 1.00 0.00 C ATOM 1302 C VAL A 85 -1.651 -9.520 11.399 1.00 0.00 C ATOM 1303 O VAL A 85 -2.176 -10.595 11.688 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.522 -9.614 13.623 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -1.928 -9.574 14.201 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -0.002 -11.042 13.561 1.00 0.00 C ATOM 0 H VAL A 85 -1.180 -7.159 13.032 1.00 0.00 H new ATOM 0 HA VAL A 85 0.448 -9.219 11.735 1.00 0.00 H new ATOM 0 HB VAL A 85 0.132 -9.042 14.281 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.928 -10.034 15.189 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.259 -8.539 14.283 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.606 -10.121 13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.029 -11.483 14.558 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.628 -11.628 12.888 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.024 -11.040 13.193 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.044 -8.776 10.370 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.138 -9.191 9.501 1.00 0.00 C ATOM 1318 C ALA A 86 -2.654 -9.394 8.069 1.00 0.00 C ATOM 1319 O ALA A 86 -1.579 -8.926 7.693 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.262 -8.167 9.541 1.00 0.00 C ATOM 0 H ALA A 86 -1.621 -7.883 10.118 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.518 -10.145 9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.072 -8.490 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.634 -8.075 10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.886 -7.201 9.203 1.00 0.00 H new ATOM 1326 N THR A 87 -3.455 -10.096 7.273 1.00 0.00 N ATOM 1327 CA THR A 87 -3.108 -10.362 5.882 1.00 0.00 C ATOM 1328 C THR A 87 -3.619 -9.256 4.966 1.00 0.00 C ATOM 1329 O THR A 87 -4.737 -8.766 5.132 1.00 0.00 O ATOM 1330 CB THR A 87 -3.681 -11.711 5.409 1.00 0.00 C ATOM 1331 OG1 THR A 87 -3.071 -12.096 4.172 1.00 0.00 O ATOM 1332 CG2 THR A 87 -5.189 -11.626 5.231 1.00 0.00 C ATOM 0 H THR A 87 -4.348 -10.490 7.568 1.00 0.00 H new ATOM 0 HA THR A 87 -2.020 -10.399 5.829 1.00 0.00 H new ATOM 0 HB THR A 87 -3.462 -12.460 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.764 -12.223 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.571 -12.591 4.897 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.653 -11.362 6.181 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.425 -10.865 4.488 1.00 0.00 H new ATOM 1340 N PHE A 88 -2.795 -8.867 3.999 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.164 -7.818 3.056 1.00 0.00 C ATOM 1342 C PHE A 88 -2.930 -8.272 1.618 1.00 0.00 C ATOM 1343 O PHE A 88 -1.812 -8.627 1.242 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.364 -6.544 3.338 1.00 0.00 C ATOM 1345 CG PHE A 88 -2.961 -5.687 4.417 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.061 -6.155 5.717 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.424 -4.413 4.130 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -3.610 -5.369 6.712 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.974 -3.622 5.121 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.068 -4.100 6.414 1.00 0.00 C ATOM 0 H PHE A 88 -1.867 -9.263 3.848 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.226 -7.607 3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.348 -6.818 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.291 -5.960 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.705 -7.146 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.354 -4.034 3.121 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.681 -5.746 7.722 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.330 -2.630 4.885 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.498 -3.483 7.189 1.00 0.00 H new ATOM 1360 N TYR A 89 -3.991 -8.258 0.820 1.00 0.00 N ATOM 1361 CA TYR A 89 -3.903 -8.670 -0.576 1.00 0.00 C ATOM 1362 C TYR A 89 -3.902 -7.459 -1.503 1.00 0.00 C ATOM 1363 O TYR A 89 -4.132 -6.329 -1.069 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.066 -9.597 -0.930 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.095 -10.872 -0.117 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.389 -11.996 -0.527 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -5.827 -10.952 1.061 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.412 -13.163 0.213 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -5.855 -12.114 1.808 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.146 -13.217 1.379 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.172 -14.376 2.119 1.00 0.00 O ATOM 0 H TYR A 89 -4.922 -7.966 1.116 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.965 -9.208 -0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.004 -9.061 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.007 -9.852 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.812 -11.957 -1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.384 -10.091 1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.858 -14.028 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.428 -12.159 2.722 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.734 -14.246 2.911 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.643 -7.702 -2.783 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.613 -6.632 -3.775 1.00 0.00 C ATOM 1383 C LEU A 90 -4.221 -7.096 -5.094 1.00 0.00 C ATOM 1384 O LEU A 90 -4.241 -8.290 -5.396 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.176 -6.159 -4.000 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.392 -5.772 -2.746 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.251 -6.748 -2.507 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.864 -4.350 -2.864 1.00 0.00 C ATOM 0 H LEU A 90 -3.451 -8.631 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.207 -5.801 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.631 -6.950 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.199 -5.299 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.067 -5.818 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.296 -6.456 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.653 -7.753 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.424 -6.736 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.309 -4.092 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.205 -4.277 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.699 -3.661 -2.985 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.715 -6.144 -5.879 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.323 -6.455 -7.168 1.00 0.00 C ATOM 1402 C PHE A 91 -5.246 -5.255 -8.108 1.00 0.00 C ATOM 1403 O PHE A 91 -4.691 -4.214 -7.759 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.781 -6.877 -6.980 1.00 0.00 C ATOM 1405 CG PHE A 91 -6.964 -8.362 -6.852 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.046 -9.163 -7.980 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.054 -8.958 -5.604 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.213 -10.530 -7.866 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -7.221 -10.325 -5.485 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.302 -11.112 -6.617 1.00 0.00 C ATOM 0 H PHE A 91 -4.706 -5.151 -5.645 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.768 -7.281 -7.614 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.179 -6.392 -6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.367 -6.519 -7.827 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.979 -8.714 -8.960 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.993 -8.348 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.274 -11.143 -8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.288 -10.778 -4.507 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.435 -12.180 -6.526 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.807 -5.411 -9.303 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.803 -4.342 -10.294 1.00 0.00 C ATOM 1422 C ASP A 92 -7.159 -4.238 -10.986 1.00 0.00 C ATOM 1423 O ASP A 92 -8.134 -4.854 -10.558 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.705 -4.583 -11.331 1.00 0.00 C ATOM 1425 CG ASP A 92 -4.962 -5.819 -12.170 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -5.899 -6.576 -11.841 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -4.226 -6.029 -13.157 1.00 0.00 O ATOM 0 H ASP A 92 -6.270 -6.267 -9.608 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.605 -3.402 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.629 -3.714 -11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.746 -4.685 -10.823 1.00 0.00 H new ATOM 1432 N ASP A 93 -7.212 -3.453 -12.057 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.448 -3.268 -12.808 1.00 0.00 C ATOM 1434 C ASP A 93 -8.595 -4.339 -13.885 1.00 0.00 C ATOM 1435 O ASP A 93 -9.553 -4.329 -14.657 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.478 -1.878 -13.447 1.00 0.00 C ATOM 1437 CG ASP A 93 -7.417 -1.709 -14.516 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -7.684 -2.072 -15.681 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -6.319 -1.213 -14.188 1.00 0.00 O ATOM 0 H ASP A 93 -6.414 -2.935 -12.424 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.283 -3.359 -12.114 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.461 -1.704 -13.884 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.334 -1.123 -12.674 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.639 -5.261 -13.929 1.00 0.00 N ATOM 1445 CA ALA A 94 -7.663 -6.340 -14.910 1.00 0.00 C ATOM 1446 C ALA A 94 -8.136 -7.645 -14.279 1.00 0.00 C ATOM 1447 O ALA A 94 -8.356 -8.637 -14.972 1.00 0.00 O ATOM 1448 CB ALA A 94 -6.286 -6.519 -15.530 1.00 0.00 C ATOM 0 H ALA A 94 -6.838 -5.283 -13.297 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.370 -6.070 -15.694 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.318 -7.327 -16.260 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.987 -5.595 -16.025 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.565 -6.763 -14.750 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.289 -7.637 -12.958 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.733 -8.827 -12.256 1.00 0.00 C ATOM 1456 C GLY A 95 -7.592 -9.772 -11.935 1.00 0.00 C ATOM 1457 O GLY A 95 -7.770 -10.989 -11.924 1.00 0.00 O ATOM 0 H GLY A 95 -8.113 -6.828 -12.362 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.230 -8.535 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.472 -9.349 -12.864 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.415 -9.209 -11.676 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.240 -10.011 -11.357 1.00 0.00 C ATOM 1463 C GLU A 96 -4.383 -9.322 -10.299 1.00 0.00 C ATOM 1464 O GLU A 96 -4.235 -8.101 -10.304 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.410 -10.264 -12.617 1.00 0.00 C ATOM 1466 CG GLU A 96 -3.878 -8.994 -13.260 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.631 -9.153 -14.748 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.656 -10.303 -15.234 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.413 -8.127 -15.425 1.00 0.00 O ATOM 0 H GLU A 96 -6.251 -8.202 -11.681 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.581 -10.966 -10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.571 -10.913 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.021 -10.800 -13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.589 -8.184 -13.098 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.948 -8.705 -12.770 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.820 -10.116 -9.393 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.979 -9.582 -8.328 1.00 0.00 C ATOM 1478 C GLU A 97 -1.546 -9.381 -8.815 1.00 0.00 C ATOM 1479 O GLU A 97 -0.719 -10.288 -8.735 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.991 -10.520 -7.119 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.046 -10.094 -6.008 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.588 -10.412 -4.628 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -3.537 -11.217 -4.534 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.061 -9.854 -3.642 1.00 0.00 O ATOM 0 H GLU A 97 -3.931 -11.130 -9.375 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.383 -8.614 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.005 -10.574 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.723 -11.525 -7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.086 -10.593 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.861 -9.022 -6.084 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.262 -8.186 -9.322 1.00 0.00 N ATOM 1492 CA ASN A 98 0.069 -7.865 -9.824 1.00 0.00 C ATOM 1493 C ASN A 98 0.503 -6.476 -9.367 1.00 0.00 C ATOM 1494 O ASN A 98 -0.140 -5.862 -8.515 1.00 0.00 O ATOM 1495 CB ASN A 98 0.093 -7.942 -11.352 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.813 -6.912 -11.997 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -0.351 -6.029 -12.720 1.00 0.00 O ATOM 1498 ND2 ASN A 98 -2.111 -7.020 -11.737 1.00 0.00 N ATOM 0 H ASN A 98 -1.936 -7.424 -9.396 1.00 0.00 H new ATOM 0 HA ASN A 98 0.769 -8.596 -9.419 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.114 -7.795 -11.704 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.213 -8.939 -11.668 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.769 -6.355 -12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.449 -7.768 -11.132 1.00 0.00 H new ATOM 1505 N PHE A 99 1.597 -5.985 -9.939 1.00 0.00 N ATOM 1506 CA PHE A 99 2.117 -4.668 -9.591 1.00 0.00 C ATOM 1507 C PHE A 99 1.948 -3.692 -10.752 1.00 0.00 C ATOM 1508 O PHE A 99 2.926 -3.157 -11.275 1.00 0.00 O ATOM 1509 CB PHE A 99 3.594 -4.766 -9.203 1.00 0.00 C ATOM 1510 CG PHE A 99 4.376 -5.722 -10.058 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.978 -5.291 -11.229 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.509 -7.051 -9.691 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.699 -6.168 -12.019 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.229 -7.932 -10.476 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.823 -7.490 -11.641 1.00 0.00 C ATOM 0 H PHE A 99 2.141 -6.480 -10.646 1.00 0.00 H new ATOM 0 HA PHE A 99 1.549 -4.294 -8.739 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.046 -3.776 -9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.668 -5.079 -8.161 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.883 -4.258 -11.529 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.045 -7.403 -8.781 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.164 -5.819 -12.929 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.327 -8.965 -10.178 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.384 -8.178 -12.256 1.00 0.00 H new ATOM 1525 N SER A 100 0.700 -3.466 -11.150 1.00 0.00 N ATOM 1526 CA SER A 100 0.402 -2.558 -12.251 1.00 0.00 C ATOM 1527 C SER A 100 0.452 -1.106 -11.787 1.00 0.00 C ATOM 1528 O SER A 100 0.743 -0.823 -10.625 1.00 0.00 O ATOM 1529 CB SER A 100 -0.976 -2.870 -12.839 1.00 0.00 C ATOM 1530 OG SER A 100 -1.766 -3.608 -11.922 1.00 0.00 O ATOM 0 H SER A 100 -0.121 -3.899 -10.726 1.00 0.00 H new ATOM 0 HA SER A 100 1.159 -2.701 -13.022 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.484 -1.941 -13.096 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.861 -3.437 -13.763 1.00 0.00 H new ATOM 0 HG SER A 100 -1.787 -4.550 -12.193 1.00 0.00 H new ATOM 1536 N SER A 101 0.165 -0.187 -12.704 1.00 0.00 N ATOM 1537 CA SER A 101 0.180 1.237 -12.391 1.00 0.00 C ATOM 1538 C SER A 101 -0.587 1.518 -11.103 1.00 0.00 C ATOM 1539 O SER A 101 -0.087 2.196 -10.205 1.00 0.00 O ATOM 1540 CB SER A 101 -0.425 2.040 -13.544 1.00 0.00 C ATOM 1541 OG SER A 101 0.547 2.877 -14.147 1.00 0.00 O ATOM 0 H SER A 101 -0.081 -0.404 -13.670 1.00 0.00 H new ATOM 0 HA SER A 101 1.217 1.542 -12.250 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.836 1.359 -14.289 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.253 2.646 -13.175 1.00 0.00 H new ATOM 0 HG SER A 101 0.136 3.378 -14.882 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.805 0.992 -11.020 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.643 1.187 -9.842 1.00 0.00 C ATOM 1549 C ARG A 102 -3.088 -0.153 -9.265 1.00 0.00 C ATOM 1550 O ARG A 102 -3.722 -0.955 -9.949 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.866 2.035 -10.196 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.804 2.270 -9.022 1.00 0.00 C ATOM 1553 CD ARG A 102 -4.382 3.482 -8.207 1.00 0.00 C ATOM 1554 NE ARG A 102 -4.512 4.724 -8.965 1.00 0.00 N ATOM 1555 CZ ARG A 102 -4.572 5.925 -8.402 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -4.513 6.047 -7.083 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -4.690 7.009 -9.159 1.00 0.00 N ATOM 0 H ARG A 102 -2.233 0.428 -11.754 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.054 1.709 -9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.531 2.998 -10.581 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.417 1.545 -10.999 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.820 2.413 -9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.817 1.387 -8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.991 3.542 -7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.348 3.360 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.559 4.665 -9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.421 5.217 -6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.559 6.971 -6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.735 6.920 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.736 7.931 -8.726 1.00 0.00 H new ATOM 1571 N MET A 103 -2.752 -0.388 -8.000 1.00 0.00 N ATOM 1572 CA MET A 103 -3.118 -1.630 -7.331 1.00 0.00 C ATOM 1573 C MET A 103 -4.073 -1.362 -6.172 1.00 0.00 C ATOM 1574 O MET A 103 -3.817 -0.498 -5.332 1.00 0.00 O ATOM 1575 CB MET A 103 -1.867 -2.348 -6.820 1.00 0.00 C ATOM 1576 CG MET A 103 -1.192 -1.640 -5.656 1.00 0.00 C ATOM 1577 SD MET A 103 0.534 -2.120 -5.458 1.00 0.00 S ATOM 1578 CE MET A 103 0.430 -3.884 -5.745 1.00 0.00 C ATOM 0 H MET A 103 -2.227 0.266 -7.419 1.00 0.00 H new ATOM 0 HA MET A 103 -3.624 -2.268 -8.056 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.138 -3.358 -6.512 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.154 -2.445 -7.639 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.250 -0.562 -5.808 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.734 -1.862 -4.737 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.196 -4.393 -5.161 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.554 -4.244 -5.445 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.585 -4.090 -6.804 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.172 -2.106 -6.132 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.166 -1.947 -5.077 1.00 0.00 C ATOM 1590 C TYR A 104 -5.788 -2.762 -3.845 1.00 0.00 C ATOM 1591 O TYR A 104 -5.316 -3.894 -3.956 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.547 -2.372 -5.580 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.061 -1.527 -6.724 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.541 -0.241 -6.502 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.069 -2.013 -8.025 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.013 0.534 -7.544 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.537 -1.244 -9.073 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.008 0.028 -8.827 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.477 0.797 -9.868 1.00 0.00 O ATOM 0 H TYR A 104 -5.398 -2.826 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.197 -0.894 -4.798 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.504 -3.413 -5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.257 -2.321 -4.754 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.545 0.159 -5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.703 -3.010 -8.221 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.384 1.531 -7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.534 -1.637 -10.079 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.403 0.294 -10.706 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.000 -2.179 -2.670 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.682 -2.850 -1.415 1.00 0.00 C ATOM 1611 C CYS A 105 -6.923 -3.508 -0.821 1.00 0.00 C ATOM 1612 O CYS A 105 -7.759 -2.842 -0.211 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.090 -1.854 -0.416 1.00 0.00 C ATOM 1614 SG CYS A 105 -4.904 -2.511 1.258 1.00 0.00 S ATOM 0 H CYS A 105 -6.391 -1.243 -2.561 1.00 0.00 H new ATOM 0 HA CYS A 105 -4.946 -3.626 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.115 -1.529 -0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.727 -0.970 -0.379 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.394 -1.597 2.029 1.00 0.00 H new ATOM 1620 N SER A 106 -7.036 -4.820 -1.004 1.00 0.00 N ATOM 1621 CA SER A 106 -8.177 -5.568 -0.491 1.00 0.00 C ATOM 1622 C SER A 106 -7.794 -6.355 0.758 1.00 0.00 C ATOM 1623 O SER A 106 -6.644 -6.762 0.921 1.00 0.00 O ATOM 1624 CB SER A 106 -8.713 -6.520 -1.563 1.00 0.00 C ATOM 1625 OG SER A 106 -7.758 -6.721 -2.590 1.00 0.00 O ATOM 0 H SER A 106 -6.351 -5.387 -1.504 1.00 0.00 H new ATOM 0 HA SER A 106 -8.957 -4.855 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.970 -7.477 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.630 -6.113 -1.989 1.00 0.00 H new ATOM 0 HG SER A 106 -8.124 -7.334 -3.261 1.00 0.00 H new ATOM 1631 N PHE A 107 -8.767 -6.564 1.639 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.533 -7.301 2.876 1.00 0.00 C ATOM 1633 C PHE A 107 -8.911 -8.770 2.714 1.00 0.00 C ATOM 1634 O PHE A 107 -8.774 -9.564 3.644 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.333 -6.680 4.023 1.00 0.00 C ATOM 1636 CG PHE A 107 -10.807 -6.953 3.942 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -11.348 -8.091 4.519 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -11.654 -6.071 3.289 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -12.704 -8.345 4.446 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -13.011 -6.320 3.213 1.00 0.00 C ATOM 1641 CZ PHE A 107 -13.537 -7.458 3.793 1.00 0.00 C ATOM 0 H PHE A 107 -9.725 -6.234 1.520 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.470 -7.242 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.952 -7.063 4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.171 -5.602 4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -10.702 -8.788 5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.249 -5.179 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.112 -9.236 4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.660 -5.625 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.598 -7.654 3.736 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.388 -9.124 1.526 1.00 0.00 N ATOM 1652 CA TYR A 108 -9.790 -10.496 1.241 1.00 0.00 C ATOM 1653 C TYR A 108 -8.837 -11.147 0.243 1.00 0.00 C ATOM 1654 O TYR A 108 -8.180 -10.477 -0.554 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.218 -10.529 0.695 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.364 -9.878 -0.661 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.420 -8.495 -0.787 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.446 -10.644 -1.817 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.553 -7.895 -2.024 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.578 -10.053 -3.058 1.00 0.00 C ATOM 1661 CZ TYR A 108 -11.631 -8.678 -3.157 1.00 0.00 C ATOM 1662 OH TYR A 108 -11.764 -8.086 -4.392 1.00 0.00 O ATOM 0 H TYR A 108 -9.506 -8.479 0.744 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.752 -11.059 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.548 -11.566 0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.880 -10.028 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.358 -7.879 0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.406 -11.721 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.596 -6.819 -2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -11.639 -10.664 -3.946 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.803 -8.779 -5.084 1.00 0.00 H new ATOM 1672 N PRO A 109 -8.760 -12.485 0.285 1.00 0.00 N ATOM 1673 CA PRO A 109 -7.893 -13.257 -0.609 1.00 0.00 C ATOM 1674 C PRO A 109 -8.380 -13.233 -2.053 1.00 0.00 C ATOM 1675 O PRO A 109 -9.500 -12.815 -2.349 1.00 0.00 O ATOM 1676 CB PRO A 109 -7.971 -14.677 -0.041 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.282 -14.730 0.665 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.516 -13.348 1.209 1.00 0.00 C ATOM 0 HA PRO A 109 -6.881 -12.853 -0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.917 -15.424 -0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.145 -14.876 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.081 -15.021 -0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.263 -15.467 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.576 -13.094 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.156 -13.253 2.233 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.522 -13.693 -2.976 1.00 0.00 N ATOM 1687 CA PRO A 110 -7.845 -13.735 -4.406 1.00 0.00 C ATOM 1688 C PRO A 110 -8.906 -14.781 -4.729 1.00 0.00 C ATOM 1689 O PRO A 110 -9.878 -14.498 -5.430 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.511 -14.105 -5.059 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.758 -14.832 -3.999 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.171 -14.206 -2.695 1.00 0.00 C ATOM 0 HA PRO A 110 -8.260 -12.791 -4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.661 -14.732 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.972 -13.217 -5.389 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.993 -15.896 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.683 -14.741 -4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.178 -14.934 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.491 -13.407 -2.400 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.713 -15.991 -4.216 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.654 -17.080 -4.449 1.00 0.00 C ATOM 1702 C ASP A 111 -9.199 -18.353 -3.744 1.00 0.00 C ATOM 1703 O ASP A 111 -10.019 -19.140 -3.272 1.00 0.00 O ATOM 1704 CB ASP A 111 -9.805 -17.339 -5.949 1.00 0.00 C ATOM 1705 CG ASP A 111 -11.205 -17.042 -6.450 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -12.147 -17.747 -6.032 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.358 -16.105 -7.261 1.00 0.00 O ATOM 0 H ASP A 111 -7.913 -16.242 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.620 -16.786 -4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.089 -16.724 -6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.559 -18.379 -6.162 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.885 -18.549 -3.677 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.322 -19.729 -3.030 1.00 0.00 C ATOM 1714 C GLU A 112 -7.895 -19.906 -1.627 1.00 0.00 C ATOM 1715 O GLU A 112 -8.610 -20.870 -1.356 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.797 -19.619 -2.960 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.287 -19.058 -1.644 1.00 0.00 C ATOM 1718 CD GLU A 112 -3.789 -18.821 -1.652 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -3.358 -17.765 -2.159 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.049 -19.693 -1.150 1.00 0.00 O ATOM 0 H GLU A 112 -7.192 -17.907 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.590 -20.602 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.362 -20.606 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.449 -18.984 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.798 -18.119 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.538 -19.748 -0.838 1.00 0.00 H new TER 1727 GLU A 112