USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 598 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 41 THR OG1 : rot 156:sc= -1.79! USER MOD Set 1.2: A 50 LYS NZ :NH3+ 148:sc= 0.282 (180deg=0) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.186 (180deg=-0.805) USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= -2.68! (180deg=-3.26!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=-0.00045) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.928 F(o=-3.1!,f=-0.93) USER MOD Single : A 25 ASN : amide:sc= -11.3! C(o=-11!,f=-22!) USER MOD Single : A 26 SER OG : rot -10:sc= -0.0776 USER MOD Single : A 31 MET CE :methyl 168:sc= -5.52! (180deg=-6.04!) USER MOD Single : A 36 ASN :FLIP amide:sc= -1.95! C(o=-4.3!,f=-2!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 161:sc= -2.22 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0304 (180deg=-0.264) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -2.37 X(o=-2.4,f=-2.4!) USER MOD Single : A 59 THR OG1 : rot 8:sc= 1.03 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= 1.08 (180deg=0.909) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 64:sc= 1.07 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.955 F(o=-2.6!,f=-0.95) USER MOD Single : A 78 LYS NZ :NH3+ -154:sc= 1.24 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -15.417 3.118 3.256 1.00 0.00 N ATOM 2 CA GLY A -3 -16.477 2.906 4.281 1.00 0.00 C ATOM 3 C GLY A -3 -17.773 2.395 3.682 1.00 0.00 C ATOM 4 O GLY A -3 -18.384 1.465 4.209 1.00 0.00 O ATOM 0 H1 GLY A -3 -14.553 3.467 3.717 1.00 0.00 H new ATOM 0 H2 GLY A -3 -15.214 2.218 2.776 1.00 0.00 H new ATOM 0 H3 GLY A -3 -15.743 3.817 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -16.120 2.195 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -16.667 3.845 4.802 1.00 0.00 H new ATOM 10 N SER A -2 -18.194 3.004 2.579 1.00 0.00 N ATOM 11 CA SER A -2 -19.426 2.605 1.909 1.00 0.00 C ATOM 12 C SER A -2 -19.349 1.154 1.445 1.00 0.00 C ATOM 13 O SER A -2 -18.369 0.741 0.826 1.00 0.00 O ATOM 14 CB SER A -2 -19.702 3.520 0.715 1.00 0.00 C ATOM 15 OG SER A -2 -20.897 3.147 0.051 1.00 0.00 O ATOM 0 H SER A -2 -17.700 3.776 2.130 1.00 0.00 H new ATOM 0 HA SER A -2 -20.244 2.696 2.624 1.00 0.00 H new ATOM 0 HB2 SER A -2 -19.778 4.553 1.055 1.00 0.00 H new ATOM 0 HB3 SER A -2 -18.866 3.475 0.017 1.00 0.00 H new ATOM 0 HG SER A -2 -21.051 3.748 -0.707 1.00 0.00 H new ATOM 21 N HIS A -1 -20.389 0.385 1.750 1.00 0.00 N ATOM 22 CA HIS A -1 -20.443 -1.021 1.366 1.00 0.00 C ATOM 23 C HIS A -1 -20.551 -1.170 -0.148 1.00 0.00 C ATOM 24 O HIS A -1 -21.284 -0.430 -0.805 1.00 0.00 O ATOM 25 CB HIS A -1 -21.626 -1.713 2.045 1.00 0.00 C ATOM 26 CG HIS A -1 -21.552 -1.695 3.540 1.00 0.00 C ATOM 27 ND1 HIS A -1 -20.514 -2.263 4.250 1.00 0.00 N ATOM 28 CD2 HIS A -1 -22.394 -1.172 4.463 1.00 0.00 C ATOM 29 CE1 HIS A -1 -20.721 -2.092 5.543 1.00 0.00 C ATOM 30 NE2 HIS A -1 -21.855 -1.433 5.699 1.00 0.00 N ATOM 0 H HIS A -1 -21.207 0.713 2.263 1.00 0.00 H new ATOM 0 HA HIS A -1 -19.518 -1.495 1.693 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -22.550 -1.228 1.729 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -21.676 -2.747 1.704 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -23.317 -0.648 4.264 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -20.074 -2.433 6.337 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -22.264 -1.162 6.593 1.00 0.00 H new ATOM 39 N MET A 1 -19.821 -2.137 -0.695 1.00 0.00 N ATOM 40 CA MET A 1 -19.833 -2.392 -2.133 1.00 0.00 C ATOM 41 C MET A 1 -19.296 -1.193 -2.910 1.00 0.00 C ATOM 42 O MET A 1 -19.876 -0.781 -3.915 1.00 0.00 O ATOM 43 CB MET A 1 -21.252 -2.724 -2.599 1.00 0.00 C ATOM 44 CG MET A 1 -21.842 -3.954 -1.927 1.00 0.00 C ATOM 45 SD MET A 1 -23.514 -4.321 -2.493 1.00 0.00 S ATOM 46 CE MET A 1 -23.233 -4.567 -4.245 1.00 0.00 C ATOM 0 H MET A 1 -19.212 -2.759 -0.163 1.00 0.00 H new ATOM 0 HA MET A 1 -19.182 -3.244 -2.329 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.899 -1.869 -2.404 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.244 -2.878 -3.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.200 -4.813 -2.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.853 -3.803 -0.848 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.043 -5.164 -4.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.198 -3.600 -4.747 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.286 -5.087 -4.392 1.00 0.00 H new ATOM 56 N LYS A 2 -18.180 -0.642 -2.443 1.00 0.00 N ATOM 57 CA LYS A 2 -17.562 0.504 -3.100 1.00 0.00 C ATOM 58 C LYS A 2 -17.158 0.152 -4.529 1.00 0.00 C ATOM 59 O LYS A 2 -17.683 0.717 -5.488 1.00 0.00 O ATOM 60 CB LYS A 2 -16.346 0.972 -2.295 1.00 0.00 C ATOM 61 CG LYS A 2 -15.534 2.065 -2.971 1.00 0.00 C ATOM 62 CD LYS A 2 -14.498 2.647 -2.024 1.00 0.00 C ATOM 63 CE LYS A 2 -13.556 3.601 -2.739 1.00 0.00 C ATOM 64 NZ LYS A 2 -12.739 4.393 -1.780 1.00 0.00 N ATOM 0 H LYS A 2 -17.686 -0.970 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 2 -18.287 1.316 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.685 1.334 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.697 0.116 -2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.037 1.660 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.200 2.856 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.001 3.173 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.923 1.839 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.897 3.035 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.133 4.277 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.372 5.242 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.329 4.676 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.943 3.815 -1.442 1.00 0.00 H new ATOM 78 N MET A 3 -16.237 -0.798 -4.660 1.00 0.00 N ATOM 79 CA MET A 3 -15.767 -1.247 -5.969 1.00 0.00 C ATOM 80 C MET A 3 -15.195 -0.101 -6.794 1.00 0.00 C ATOM 81 O MET A 3 -15.793 0.968 -6.909 1.00 0.00 O ATOM 82 CB MET A 3 -16.906 -1.921 -6.736 1.00 0.00 C ATOM 83 CG MET A 3 -17.483 -3.137 -6.028 1.00 0.00 C ATOM 84 SD MET A 3 -16.256 -4.430 -5.758 1.00 0.00 S ATOM 85 CE MET A 3 -17.249 -5.671 -4.933 1.00 0.00 C ATOM 0 H MET A 3 -15.799 -1.275 -3.872 1.00 0.00 H new ATOM 0 HA MET A 3 -14.965 -1.965 -5.798 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.702 -1.195 -6.899 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.543 -2.222 -7.719 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.899 -2.830 -5.068 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.306 -3.540 -6.618 1.00 0.00 H new ATOM 0 HE1 MET A 3 -16.629 -6.537 -4.700 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.656 -5.257 -4.011 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.067 -5.976 -5.586 1.00 0.00 H new ATOM 95 N GLY A 4 -14.028 -0.346 -7.374 1.00 0.00 N ATOM 96 CA GLY A 4 -13.377 0.652 -8.194 1.00 0.00 C ATOM 97 C GLY A 4 -11.900 0.372 -8.364 1.00 0.00 C ATOM 98 O GLY A 4 -11.483 -0.784 -8.436 1.00 0.00 O ATOM 0 H GLY A 4 -13.519 -1.226 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.855 0.684 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.510 1.635 -7.742 1.00 0.00 H new ATOM 102 N VAL A 5 -11.108 1.432 -8.418 1.00 0.00 N ATOM 103 CA VAL A 5 -9.664 1.298 -8.565 1.00 0.00 C ATOM 104 C VAL A 5 -9.017 0.908 -7.249 1.00 0.00 C ATOM 105 O VAL A 5 -7.825 0.679 -7.200 1.00 0.00 O ATOM 106 CB VAL A 5 -8.985 2.578 -9.093 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.723 3.558 -7.962 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.687 2.277 -9.824 1.00 0.00 C ATOM 0 H VAL A 5 -11.439 2.395 -8.362 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.517 0.511 -9.305 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.675 3.029 -9.806 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.244 4.453 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.667 3.831 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.070 3.094 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.244 3.208 -10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.994 1.781 -9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.891 1.626 -10.674 1.00 0.00 H new ATOM 118 N LYS A 6 -9.786 0.859 -6.168 1.00 0.00 N ATOM 119 CA LYS A 6 -9.209 0.518 -4.875 1.00 0.00 C ATOM 120 C LYS A 6 -8.291 -0.682 -5.047 1.00 0.00 C ATOM 121 O LYS A 6 -7.118 -0.642 -4.677 1.00 0.00 O ATOM 122 CB LYS A 6 -10.329 0.213 -3.872 1.00 0.00 C ATOM 123 CG LYS A 6 -9.857 -0.303 -2.520 1.00 0.00 C ATOM 124 CD LYS A 6 -9.506 -1.784 -2.566 1.00 0.00 C ATOM 125 CE LYS A 6 -9.297 -2.347 -1.170 1.00 0.00 C ATOM 126 NZ LYS A 6 -8.945 -3.792 -1.201 1.00 0.00 N ATOM 0 H LYS A 6 -10.789 1.047 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.628 1.356 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.913 1.120 -3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.000 -0.525 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.985 0.267 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.637 -0.138 -1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.304 -2.333 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.601 -1.927 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.504 -1.791 -0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.204 -2.207 -0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.811 -4.138 -0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.712 -4.327 -1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.065 -3.923 -1.740 1.00 0.00 H new ATOM 140 N GLU A 7 -8.818 -1.725 -5.664 1.00 0.00 N ATOM 141 CA GLU A 7 -8.034 -2.916 -5.945 1.00 0.00 C ATOM 142 C GLU A 7 -7.119 -2.702 -7.158 1.00 0.00 C ATOM 143 O GLU A 7 -6.102 -3.372 -7.290 1.00 0.00 O ATOM 144 CB GLU A 7 -8.947 -4.121 -6.176 1.00 0.00 C ATOM 145 CG GLU A 7 -8.193 -5.408 -6.473 1.00 0.00 C ATOM 146 CD GLU A 7 -9.118 -6.586 -6.702 1.00 0.00 C ATOM 147 OE1 GLU A 7 -9.891 -6.923 -5.780 1.00 0.00 O ATOM 148 OE2 GLU A 7 -9.071 -7.172 -7.804 1.00 0.00 O ATOM 0 H GLU A 7 -9.787 -1.772 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.407 -3.115 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.569 -4.270 -5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.619 -3.903 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.569 -5.264 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.524 -5.632 -5.642 1.00 0.00 H new ATOM 155 N ASP A 8 -7.505 -1.790 -8.063 1.00 0.00 N ATOM 156 CA ASP A 8 -6.716 -1.527 -9.273 1.00 0.00 C ATOM 157 C ASP A 8 -5.370 -0.866 -8.953 1.00 0.00 C ATOM 158 O ASP A 8 -4.312 -1.366 -9.343 1.00 0.00 O ATOM 159 CB ASP A 8 -7.516 -0.673 -10.245 1.00 0.00 C ATOM 160 CG ASP A 8 -8.610 -1.460 -10.940 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.282 -2.449 -11.630 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.792 -1.088 -10.795 1.00 0.00 O ATOM 0 H ASP A 8 -8.352 -1.227 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.497 -2.488 -9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.960 0.165 -9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.844 -0.252 -10.993 1.00 0.00 H new ATOM 167 N ILE A 9 -5.411 0.228 -8.201 1.00 0.00 N ATOM 168 CA ILE A 9 -4.207 0.924 -7.783 1.00 0.00 C ATOM 169 C ILE A 9 -3.430 0.010 -6.853 1.00 0.00 C ATOM 170 O ILE A 9 -2.215 -0.141 -6.978 1.00 0.00 O ATOM 171 CB ILE A 9 -4.545 2.264 -7.081 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.824 3.348 -8.124 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.428 2.701 -6.141 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.198 4.686 -7.522 1.00 0.00 C ATOM 0 H ILE A 9 -6.276 0.653 -7.867 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.605 1.168 -8.658 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.440 2.112 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.940 3.475 -8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.631 3.014 -8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.700 3.644 -5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.278 1.940 -5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.506 2.832 -6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.381 5.405 -8.320 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.099 4.575 -6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.383 5.042 -6.893 1.00 0.00 H new ATOM 186 N ARG A 10 -4.159 -0.639 -5.951 1.00 0.00 N ATOM 187 CA ARG A 10 -3.555 -1.588 -5.036 1.00 0.00 C ATOM 188 C ARG A 10 -2.898 -2.685 -5.850 1.00 0.00 C ATOM 189 O ARG A 10 -1.901 -3.272 -5.439 1.00 0.00 O ATOM 190 CB ARG A 10 -4.613 -2.189 -4.110 1.00 0.00 C ATOM 191 CG ARG A 10 -4.055 -2.668 -2.790 1.00 0.00 C ATOM 192 CD ARG A 10 -3.610 -1.492 -1.950 1.00 0.00 C ATOM 193 NE ARG A 10 -2.240 -1.642 -1.466 1.00 0.00 N ATOM 194 CZ ARG A 10 -1.604 -0.725 -0.736 1.00 0.00 C ATOM 195 NH1 ARG A 10 -2.169 0.451 -0.497 1.00 0.00 N ATOM 196 NH2 ARG A 10 -0.389 -0.973 -0.265 1.00 0.00 N ATOM 0 H ARG A 10 -5.166 -0.522 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.814 -1.080 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.385 -1.443 -3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.096 -3.025 -4.617 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.812 -3.241 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.213 -3.338 -2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.687 -0.578 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.283 -1.381 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.740 -2.499 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.095 0.658 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.678 1.149 0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.061 -1.867 -0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.095 -0.270 0.293 1.00 0.00 H new ATOM 210 N GLY A 11 -3.457 -2.933 -7.032 1.00 0.00 N ATOM 211 CA GLY A 11 -2.896 -3.936 -7.912 1.00 0.00 C ATOM 212 C GLY A 11 -1.491 -3.546 -8.291 1.00 0.00 C ATOM 213 O GLY A 11 -0.570 -4.364 -8.269 1.00 0.00 O ATOM 0 H GLY A 11 -4.285 -2.458 -7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.894 -4.908 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.511 -4.035 -8.807 1.00 0.00 H new ATOM 217 N GLN A 12 -1.332 -2.265 -8.599 1.00 0.00 N ATOM 218 CA GLN A 12 -0.034 -1.715 -8.944 1.00 0.00 C ATOM 219 C GLN A 12 0.893 -1.812 -7.736 1.00 0.00 C ATOM 220 O GLN A 12 2.111 -1.914 -7.874 1.00 0.00 O ATOM 221 CB GLN A 12 -0.171 -0.248 -9.367 1.00 0.00 C ATOM 222 CG GLN A 12 1.033 0.271 -10.142 1.00 0.00 C ATOM 223 CD GLN A 12 0.838 1.660 -10.741 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.370 2.212 -10.644 1.00 0.00 O flip ATOM 225 NE2 GLN A 12 1.773 2.231 -11.302 1.00 0.00 N flip ATOM 0 H GLN A 12 -2.093 -1.586 -8.616 1.00 0.00 H new ATOM 0 HA GLN A 12 0.381 -2.283 -9.776 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.065 -0.136 -9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.315 0.367 -8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.897 0.292 -9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.264 -0.430 -10.944 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.686 1.780 -11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.635 3.156 -11.710 1.00 0.00 H new ATOM 234 N ILE A 13 0.288 -1.767 -6.547 1.00 0.00 N ATOM 235 CA ILE A 13 1.022 -1.833 -5.289 1.00 0.00 C ATOM 236 C ILE A 13 1.524 -3.246 -4.998 1.00 0.00 C ATOM 237 O ILE A 13 2.679 -3.429 -4.625 1.00 0.00 O ATOM 238 CB ILE A 13 0.142 -1.336 -4.122 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.212 0.138 -4.340 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.839 -1.535 -2.782 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.069 0.728 -3.242 1.00 0.00 C ATOM 0 H ILE A 13 -0.722 -1.684 -6.433 1.00 0.00 H new ATOM 0 HA ILE A 13 1.891 -1.182 -5.387 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.776 -1.924 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.709 0.715 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.735 0.240 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.195 -1.176 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.046 -2.595 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.775 -0.977 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.278 1.774 -3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.007 0.176 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.540 0.659 -2.291 1.00 0.00 H new ATOM 253 N ILE A 14 0.661 -4.242 -5.173 1.00 0.00 N ATOM 254 CA ILE A 14 1.046 -5.628 -4.931 1.00 0.00 C ATOM 255 C ILE A 14 2.261 -5.996 -5.777 1.00 0.00 C ATOM 256 O ILE A 14 3.256 -6.506 -5.262 1.00 0.00 O ATOM 257 CB ILE A 14 -0.127 -6.598 -5.215 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.056 -6.671 -3.998 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.377 -7.990 -5.579 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.364 -7.157 -2.744 1.00 0.00 C ATOM 0 H ILE A 14 -0.304 -4.117 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 14 1.308 -5.724 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.684 -6.212 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.478 -5.683 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.889 -7.336 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.472 -8.645 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.999 -7.930 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.965 -8.391 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.079 -7.185 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.034 -8.158 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.452 -6.479 -2.493 1.00 0.00 H new ATOM 272 N GLY A 15 2.188 -5.708 -7.072 1.00 0.00 N ATOM 273 CA GLY A 15 3.306 -5.991 -7.949 1.00 0.00 C ATOM 274 C GLY A 15 4.512 -5.158 -7.572 1.00 0.00 C ATOM 275 O GLY A 15 5.652 -5.616 -7.648 1.00 0.00 O ATOM 0 H GLY A 15 1.379 -5.286 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.558 -7.050 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.025 -5.785 -8.982 1.00 0.00 H new ATOM 279 N ALA A 16 4.241 -3.926 -7.154 1.00 0.00 N ATOM 280 CA ALA A 16 5.282 -2.994 -6.741 1.00 0.00 C ATOM 281 C ALA A 16 6.002 -3.488 -5.485 1.00 0.00 C ATOM 282 O ALA A 16 7.166 -3.165 -5.254 1.00 0.00 O ATOM 283 CB ALA A 16 4.672 -1.616 -6.506 1.00 0.00 C ATOM 0 H ALA A 16 3.296 -3.547 -7.092 1.00 0.00 H new ATOM 0 HA ALA A 16 6.023 -2.926 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.452 -0.921 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.212 -1.260 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.915 -1.682 -5.725 1.00 0.00 H new ATOM 289 N LEU A 17 5.294 -4.273 -4.679 1.00 0.00 N ATOM 290 CA LEU A 17 5.841 -4.823 -3.444 1.00 0.00 C ATOM 291 C LEU A 17 6.626 -6.098 -3.719 1.00 0.00 C ATOM 292 O LEU A 17 7.522 -6.465 -2.958 1.00 0.00 O ATOM 293 CB LEU A 17 4.710 -5.108 -2.453 1.00 0.00 C ATOM 294 CG LEU A 17 4.070 -3.868 -1.816 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.725 -4.217 -1.196 1.00 0.00 C ATOM 296 CD2 LEU A 17 5.000 -3.270 -0.767 1.00 0.00 C ATOM 0 H LEU A 17 4.328 -4.545 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 17 6.521 -4.088 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.933 -5.675 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.097 -5.746 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 17 3.905 -3.127 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.288 -3.324 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.058 -4.601 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.865 -4.976 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.532 -2.391 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.194 -4.009 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.941 -2.982 -1.236 1.00 0.00 H new ATOM 308 N ALA A 18 6.264 -6.775 -4.801 1.00 0.00 N ATOM 309 CA ALA A 18 6.910 -8.030 -5.192 1.00 0.00 C ATOM 310 C ALA A 18 8.390 -7.841 -5.538 1.00 0.00 C ATOM 311 O ALA A 18 8.809 -8.106 -6.666 1.00 0.00 O ATOM 312 CB ALA A 18 6.170 -8.654 -6.364 1.00 0.00 C ATOM 0 H ALA A 18 5.520 -6.476 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 18 6.865 -8.700 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.658 -9.587 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.138 -8.857 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.182 -7.967 -7.210 1.00 0.00 H new ATOM 318 N GLY A 19 9.179 -7.394 -4.564 1.00 0.00 N ATOM 319 CA GLY A 19 10.601 -7.195 -4.793 1.00 0.00 C ATOM 320 C GLY A 19 11.297 -6.549 -3.608 1.00 0.00 C ATOM 321 O GLY A 19 12.220 -5.753 -3.779 1.00 0.00 O ATOM 0 H GLY A 19 8.860 -7.166 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.069 -8.156 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.740 -6.571 -5.676 1.00 0.00 H new ATOM 325 N ALA A 20 10.848 -6.889 -2.402 1.00 0.00 N ATOM 326 CA ALA A 20 11.422 -6.339 -1.177 1.00 0.00 C ATOM 327 C ALA A 20 12.278 -7.373 -0.465 1.00 0.00 C ATOM 328 O ALA A 20 12.445 -8.493 -0.947 1.00 0.00 O ATOM 329 CB ALA A 20 10.312 -5.868 -0.249 1.00 0.00 C ATOM 0 H ALA A 20 10.084 -7.547 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 20 12.054 -5.494 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.749 -5.459 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.724 -5.097 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.667 -6.710 0.004 1.00 0.00 H new ATOM 335 N ASP A 21 12.785 -7.007 0.708 1.00 0.00 N ATOM 336 CA ASP A 21 13.584 -7.927 1.509 1.00 0.00 C ATOM 337 C ASP A 21 12.796 -9.216 1.688 1.00 0.00 C ATOM 338 O ASP A 21 13.126 -10.255 1.114 1.00 0.00 O ATOM 339 CB ASP A 21 13.893 -7.291 2.863 1.00 0.00 C ATOM 340 CG ASP A 21 15.093 -6.365 2.810 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.683 -6.217 1.719 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.443 -5.787 3.861 1.00 0.00 O ATOM 0 H ASP A 21 12.658 -6.084 1.123 1.00 0.00 H new ATOM 0 HA ASP A 21 14.529 -8.146 1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.022 -6.732 3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.076 -8.076 3.596 1.00 0.00 H new ATOM 347 N PHE A 22 11.701 -9.103 2.420 1.00 0.00 N ATOM 348 CA PHE A 22 10.780 -10.207 2.615 1.00 0.00 C ATOM 349 C PHE A 22 9.468 -9.766 1.991 1.00 0.00 C ATOM 350 O PHE A 22 9.423 -8.693 1.388 1.00 0.00 O ATOM 351 CB PHE A 22 10.643 -10.588 4.114 1.00 0.00 C ATOM 352 CG PHE A 22 9.771 -9.687 4.972 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.510 -9.280 4.559 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.220 -9.258 6.212 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.723 -8.471 5.343 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.432 -8.449 7.006 1.00 0.00 C ATOM 357 CZ PHE A 22 8.184 -8.052 6.567 1.00 0.00 C ATOM 0 H PHE A 22 11.426 -8.243 2.895 1.00 0.00 H new ATOM 0 HA PHE A 22 11.140 -11.120 2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.245 -11.601 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.641 -10.612 4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.139 -9.607 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.197 -9.560 6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.746 -8.166 4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.792 -8.126 7.972 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.571 -7.413 7.186 1.00 0.00 H new ATOM 367 N PRO A 23 8.373 -10.525 2.105 1.00 0.00 N ATOM 368 CA PRO A 23 7.109 -10.089 1.525 1.00 0.00 C ATOM 369 C PRO A 23 6.527 -8.871 2.262 1.00 0.00 C ATOM 370 O PRO A 23 5.411 -8.940 2.771 1.00 0.00 O ATOM 371 CB PRO A 23 6.210 -11.315 1.670 1.00 0.00 C ATOM 372 CG PRO A 23 6.759 -12.042 2.845 1.00 0.00 C ATOM 373 CD PRO A 23 8.248 -11.821 2.803 1.00 0.00 C ATOM 0 HA PRO A 23 7.215 -9.759 0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.171 -11.028 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.235 -11.934 0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.333 -11.663 3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.519 -13.104 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.679 -11.783 3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.759 -12.620 2.266 1.00 0.00 H new ATOM 381 N ILE A 24 7.304 -7.759 2.294 1.00 0.00 N ATOM 382 CA ILE A 24 6.901 -6.483 2.926 1.00 0.00 C ATOM 383 C ILE A 24 7.681 -6.125 4.203 1.00 0.00 C ATOM 384 O ILE A 24 7.090 -5.967 5.272 1.00 0.00 O ATOM 385 CB ILE A 24 5.390 -6.428 3.219 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.605 -6.574 1.915 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.030 -5.131 3.923 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.102 -5.666 0.824 1.00 0.00 C ATOM 0 H ILE A 24 8.235 -7.725 1.878 1.00 0.00 H new ATOM 0 HA ILE A 24 7.156 -5.733 2.177 1.00 0.00 H new ATOM 0 HB ILE A 24 5.127 -7.253 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.665 -7.608 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.553 -6.362 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.958 -5.110 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.575 -5.065 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.298 -4.286 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.505 -5.817 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.016 -4.628 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.146 -5.894 0.608 1.00 0.00 H new ATOM 400 N ASN A 25 8.995 -5.963 4.083 1.00 0.00 N ATOM 401 CA ASN A 25 9.839 -5.586 5.227 1.00 0.00 C ATOM 402 C ASN A 25 9.485 -4.201 5.752 1.00 0.00 C ATOM 403 O ASN A 25 10.298 -3.281 5.675 1.00 0.00 O ATOM 404 CB ASN A 25 11.307 -5.577 4.827 1.00 0.00 C ATOM 405 CG ASN A 25 12.012 -6.878 5.128 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.720 -7.912 4.540 1.00 0.00 O ATOM 407 ND2 ASN A 25 12.956 -6.817 6.060 1.00 0.00 N ATOM 0 H ASN A 25 9.505 -6.085 3.208 1.00 0.00 H new ATOM 0 HA ASN A 25 9.661 -6.325 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.385 -5.367 3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.815 -4.766 5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.476 -7.657 6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.161 -5.930 6.521 1.00 0.00 H new ATOM 414 N SER A 26 8.277 -4.036 6.270 1.00 0.00 N ATOM 415 CA SER A 26 7.857 -2.737 6.768 1.00 0.00 C ATOM 416 C SER A 26 7.941 -1.724 5.637 1.00 0.00 C ATOM 417 O SER A 26 8.747 -1.870 4.719 1.00 0.00 O ATOM 418 CB SER A 26 8.729 -2.286 7.944 1.00 0.00 C ATOM 419 OG SER A 26 10.032 -1.928 7.519 1.00 0.00 O ATOM 0 H SER A 26 7.579 -4.775 6.356 1.00 0.00 H new ATOM 0 HA SER A 26 6.830 -2.812 7.126 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.261 -1.436 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.793 -3.088 8.679 1.00 0.00 H new ATOM 0 HG SER A 26 10.158 -2.199 6.586 1.00 0.00 H new ATOM 425 N PRO A 27 7.102 -0.694 5.658 1.00 0.00 N ATOM 426 CA PRO A 27 7.097 0.307 4.604 1.00 0.00 C ATOM 427 C PRO A 27 8.487 0.797 4.246 1.00 0.00 C ATOM 428 O PRO A 27 8.749 1.127 3.096 1.00 0.00 O ATOM 429 CB PRO A 27 6.235 1.428 5.179 1.00 0.00 C ATOM 430 CG PRO A 27 5.314 0.740 6.130 1.00 0.00 C ATOM 431 CD PRO A 27 6.079 -0.434 6.683 1.00 0.00 C ATOM 0 HA PRO A 27 6.712 -0.093 3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.844 2.176 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.682 1.946 4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.005 1.414 6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.407 0.410 5.623 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.529 -0.201 7.648 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.433 -1.299 6.833 1.00 0.00 H new ATOM 439 N GLU A 28 9.383 0.826 5.217 1.00 0.00 N ATOM 440 CA GLU A 28 10.746 1.267 4.962 1.00 0.00 C ATOM 441 C GLU A 28 11.369 0.443 3.835 1.00 0.00 C ATOM 442 O GLU A 28 11.806 0.975 2.809 1.00 0.00 O ATOM 443 CB GLU A 28 11.587 1.110 6.231 1.00 0.00 C ATOM 444 CG GLU A 28 10.973 1.779 7.452 1.00 0.00 C ATOM 445 CD GLU A 28 10.786 3.272 7.265 1.00 0.00 C ATOM 446 OE1 GLU A 28 11.794 3.973 7.037 1.00 0.00 O ATOM 447 OE2 GLU A 28 9.631 3.740 7.347 1.00 0.00 O ATOM 0 H GLU A 28 9.196 0.552 6.182 1.00 0.00 H new ATOM 0 HA GLU A 28 10.723 2.316 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.723 0.049 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.577 1.530 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.008 1.320 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.611 1.602 8.318 1.00 0.00 H new ATOM 454 N GLU A 29 11.400 -0.863 4.040 1.00 0.00 N ATOM 455 CA GLU A 29 11.968 -1.775 3.072 1.00 0.00 C ATOM 456 C GLU A 29 11.075 -1.973 1.868 1.00 0.00 C ATOM 457 O GLU A 29 11.505 -1.765 0.744 1.00 0.00 O ATOM 458 CB GLU A 29 12.167 -3.107 3.708 1.00 0.00 C ATOM 459 CG GLU A 29 12.995 -4.047 2.853 1.00 0.00 C ATOM 460 CD GLU A 29 14.357 -3.475 2.509 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.138 -3.196 3.443 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.642 -3.307 1.304 1.00 0.00 O ATOM 0 H GLU A 29 11.034 -1.315 4.878 1.00 0.00 H new ATOM 0 HA GLU A 29 12.909 -1.338 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.656 -2.975 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.195 -3.561 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.125 -4.992 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.454 -4.267 1.932 1.00 0.00 H new ATOM 469 N LEU A 30 9.838 -2.411 2.100 1.00 0.00 N ATOM 470 CA LEU A 30 8.920 -2.657 1.000 1.00 0.00 C ATOM 471 C LEU A 30 8.901 -1.438 0.083 1.00 0.00 C ATOM 472 O LEU A 30 8.870 -1.577 -1.141 1.00 0.00 O ATOM 473 CB LEU A 30 7.518 -2.987 1.527 1.00 0.00 C ATOM 474 CG LEU A 30 6.739 -1.803 2.093 1.00 0.00 C ATOM 475 CD1 LEU A 30 5.995 -1.070 0.992 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.769 -2.261 3.169 1.00 0.00 C ATOM 0 H LEU A 30 9.457 -2.599 3.027 1.00 0.00 H new ATOM 0 HA LEU A 30 9.258 -3.521 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.938 -3.429 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.609 -3.746 2.304 1.00 0.00 H new ATOM 0 HG LEU A 30 7.455 -1.115 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.447 -0.230 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.708 -0.701 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.295 -1.752 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.225 -1.401 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.064 -2.974 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.322 -2.737 3.979 1.00 0.00 H new ATOM 488 N MET A 31 8.999 -0.242 0.670 1.00 0.00 N ATOM 489 CA MET A 31 9.069 0.967 -0.139 1.00 0.00 C ATOM 490 C MET A 31 10.348 0.920 -0.954 1.00 0.00 C ATOM 491 O MET A 31 10.364 1.307 -2.121 1.00 0.00 O ATOM 492 CB MET A 31 9.037 2.253 0.700 1.00 0.00 C ATOM 493 CG MET A 31 7.636 2.691 1.105 1.00 0.00 C ATOM 494 SD MET A 31 7.618 4.252 2.011 1.00 0.00 S ATOM 495 CE MET A 31 8.508 3.809 3.497 1.00 0.00 C ATOM 0 H MET A 31 9.031 -0.091 1.678 1.00 0.00 H new ATOM 0 HA MET A 31 8.189 0.994 -0.781 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.634 2.103 1.599 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.509 3.056 0.134 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.020 2.789 0.211 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.183 1.915 1.721 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.762 4.712 4.052 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.884 3.165 4.117 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.422 3.279 3.229 1.00 0.00 H new ATOM 505 N ALA A 32 11.418 0.401 -0.340 1.00 0.00 N ATOM 506 CA ALA A 32 12.689 0.269 -1.043 1.00 0.00 C ATOM 507 C ALA A 32 12.563 -0.781 -2.146 1.00 0.00 C ATOM 508 O ALA A 32 13.310 -0.778 -3.125 1.00 0.00 O ATOM 509 CB ALA A 32 13.799 -0.103 -0.072 1.00 0.00 C ATOM 0 H ALA A 32 11.426 0.072 0.625 1.00 0.00 H new ATOM 0 HA ALA A 32 12.944 1.227 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.740 -0.197 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.894 0.673 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.560 -1.052 0.408 1.00 0.00 H new ATOM 515 N ALA A 33 11.611 -1.686 -1.950 1.00 0.00 N ATOM 516 CA ALA A 33 11.340 -2.777 -2.871 1.00 0.00 C ATOM 517 C ALA A 33 10.866 -2.291 -4.231 1.00 0.00 C ATOM 518 O ALA A 33 11.373 -2.721 -5.268 1.00 0.00 O ATOM 519 CB ALA A 33 10.277 -3.671 -2.264 1.00 0.00 C ATOM 0 H ALA A 33 10.998 -1.680 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 33 12.272 -3.319 -3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.063 -4.495 -2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.635 -4.068 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.368 -3.093 -2.096 1.00 0.00 H new ATOM 525 N LEU A 34 9.862 -1.422 -4.219 1.00 0.00 N ATOM 526 CA LEU A 34 9.279 -0.905 -5.454 1.00 0.00 C ATOM 527 C LEU A 34 10.344 -0.533 -6.490 1.00 0.00 C ATOM 528 O LEU A 34 11.389 0.026 -6.159 1.00 0.00 O ATOM 529 CB LEU A 34 8.368 0.290 -5.170 1.00 0.00 C ATOM 530 CG LEU A 34 7.093 -0.046 -4.387 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.367 -0.093 -2.891 1.00 0.00 C ATOM 532 CD2 LEU A 34 5.987 0.948 -4.702 1.00 0.00 C ATOM 0 H LEU A 34 9.433 -1.060 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 34 8.680 -1.710 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.934 1.036 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.085 0.747 -6.118 1.00 0.00 H new ATOM 0 HG LEU A 34 6.759 -1.036 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.446 -0.333 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.116 -0.857 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.735 0.877 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.093 0.689 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.312 1.952 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.762 0.917 -5.768 1.00 0.00 H new ATOM 544 N PRO A 35 10.077 -0.861 -7.771 1.00 0.00 N ATOM 545 CA PRO A 35 10.987 -0.589 -8.892 1.00 0.00 C ATOM 546 C PRO A 35 11.520 0.842 -8.899 1.00 0.00 C ATOM 547 O PRO A 35 12.644 1.094 -9.330 1.00 0.00 O ATOM 548 CB PRO A 35 10.112 -0.837 -10.137 1.00 0.00 C ATOM 549 CG PRO A 35 8.716 -1.019 -9.627 1.00 0.00 C ATOM 550 CD PRO A 35 8.857 -1.534 -8.231 1.00 0.00 C ATOM 0 HA PRO A 35 11.877 -1.217 -8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 35 10.169 0.004 -10.828 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.448 -1.720 -10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.168 -0.077 -9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.161 -1.721 -10.249 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.995 -1.279 -7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.957 -2.619 -8.206 1.00 0.00 H new ATOM 558 N ASN A 36 10.698 1.771 -8.434 1.00 0.00 N ATOM 559 CA ASN A 36 11.067 3.182 -8.396 1.00 0.00 C ATOM 560 C ASN A 36 12.110 3.469 -7.315 1.00 0.00 C ATOM 561 O ASN A 36 12.865 4.437 -7.414 1.00 0.00 O ATOM 562 CB ASN A 36 9.804 4.016 -8.166 1.00 0.00 C ATOM 563 CG ASN A 36 10.081 5.424 -7.678 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.556 5.742 -6.500 1.00 0.00 O flip ATOM 565 ND2 ASN A 36 10.753 6.210 -8.345 1.00 0.00 N flip ATOM 0 H ASN A 36 9.764 1.573 -8.075 1.00 0.00 H new ATOM 0 HA ASN A 36 11.521 3.451 -9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.240 4.069 -9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.171 3.507 -7.439 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.135 5.918 -9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.928 7.153 -7.998 1.00 0.00 H new ATOM 572 N GLY A 37 12.143 2.634 -6.285 1.00 0.00 N ATOM 573 CA GLY A 37 13.091 2.829 -5.202 1.00 0.00 C ATOM 574 C GLY A 37 12.418 3.358 -3.950 1.00 0.00 C ATOM 575 O GLY A 37 12.183 2.600 -3.012 1.00 0.00 O ATOM 0 H GLY A 37 11.531 1.825 -6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.585 1.884 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.867 3.526 -5.519 1.00 0.00 H new ATOM 579 N PRO A 38 12.079 4.658 -3.906 1.00 0.00 N ATOM 580 CA PRO A 38 11.412 5.255 -2.751 1.00 0.00 C ATOM 581 C PRO A 38 9.899 5.034 -2.784 1.00 0.00 C ATOM 582 O PRO A 38 9.126 5.898 -2.371 1.00 0.00 O ATOM 583 CB PRO A 38 11.746 6.737 -2.897 1.00 0.00 C ATOM 584 CG PRO A 38 11.862 6.958 -4.367 1.00 0.00 C ATOM 585 CD PRO A 38 12.311 5.646 -4.975 1.00 0.00 C ATOM 0 HA PRO A 38 11.739 4.820 -1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.966 7.363 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.676 6.985 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.906 7.271 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.580 7.749 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.739 5.405 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.361 5.680 -5.266 1.00 0.00 H new ATOM 593 N ASP A 39 9.488 3.866 -3.276 1.00 0.00 N ATOM 594 CA ASP A 39 8.080 3.510 -3.367 1.00 0.00 C ATOM 595 C ASP A 39 7.332 4.403 -4.351 1.00 0.00 C ATOM 596 O ASP A 39 6.952 5.531 -4.035 1.00 0.00 O ATOM 597 CB ASP A 39 7.434 3.533 -1.975 1.00 0.00 C ATOM 598 CG ASP A 39 5.923 3.408 -2.007 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.419 2.393 -2.528 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.246 4.325 -1.499 1.00 0.00 O ATOM 0 H ASP A 39 10.122 3.145 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 39 8.013 2.494 -3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.845 2.719 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.703 4.463 -1.474 1.00 0.00 H new ATOM 605 N THR A 40 7.132 3.868 -5.554 1.00 0.00 N ATOM 606 CA THR A 40 6.433 4.571 -6.625 1.00 0.00 C ATOM 607 C THR A 40 4.973 4.825 -6.279 1.00 0.00 C ATOM 608 O THR A 40 4.306 3.974 -5.689 1.00 0.00 O ATOM 609 CB THR A 40 6.484 3.776 -7.943 1.00 0.00 C ATOM 610 OG1 THR A 40 5.633 4.388 -8.919 1.00 0.00 O ATOM 611 CG2 THR A 40 6.059 2.331 -7.720 1.00 0.00 C ATOM 0 H THR A 40 7.451 2.934 -5.813 1.00 0.00 H new ATOM 0 HA THR A 40 6.946 5.525 -6.746 1.00 0.00 H new ATOM 0 HB THR A 40 7.512 3.782 -8.307 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.673 3.877 -9.754 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.103 1.789 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.730 1.861 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.040 2.307 -7.335 1.00 0.00 H new ATOM 619 N THR A 41 4.478 5.995 -6.663 1.00 0.00 N ATOM 620 CA THR A 41 3.091 6.355 -6.408 1.00 0.00 C ATOM 621 C THR A 41 2.181 5.760 -7.478 1.00 0.00 C ATOM 622 O THR A 41 2.266 6.130 -8.649 1.00 0.00 O ATOM 623 CB THR A 41 2.904 7.884 -6.397 1.00 0.00 C ATOM 624 OG1 THR A 41 3.944 8.502 -5.630 1.00 0.00 O ATOM 625 CG2 THR A 41 1.550 8.252 -5.809 1.00 0.00 C ATOM 0 H THR A 41 5.017 6.710 -7.152 1.00 0.00 H new ATOM 0 HA THR A 41 2.826 5.955 -5.429 1.00 0.00 H new ATOM 0 HB THR A 41 2.952 8.243 -7.425 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.061 9.429 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.436 9.336 -5.809 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.759 7.803 -6.409 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.484 7.881 -4.786 1.00 0.00 H new ATOM 633 N CYS A 42 1.302 4.845 -7.078 1.00 0.00 N ATOM 634 CA CYS A 42 0.379 4.221 -8.020 1.00 0.00 C ATOM 635 C CYS A 42 -0.907 5.036 -8.123 1.00 0.00 C ATOM 636 O CYS A 42 -2.009 4.501 -7.998 1.00 0.00 O ATOM 637 CB CYS A 42 0.069 2.778 -7.607 1.00 0.00 C ATOM 638 SG CYS A 42 1.539 1.782 -7.264 1.00 0.00 S ATOM 0 H CYS A 42 1.210 4.521 -6.115 1.00 0.00 H new ATOM 0 HA CYS A 42 0.856 4.198 -9.000 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.563 2.792 -6.719 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.506 2.299 -8.400 1.00 0.00 H new ATOM 0 HG CYS A 42 1.205 0.746 -6.553 1.00 0.00 H new ATOM 644 N LYS A 43 -0.751 6.337 -8.346 1.00 0.00 N ATOM 645 CA LYS A 43 -1.887 7.245 -8.460 1.00 0.00 C ATOM 646 C LYS A 43 -2.582 7.083 -9.807 1.00 0.00 C ATOM 647 O LYS A 43 -1.943 6.777 -10.814 1.00 0.00 O ATOM 648 CB LYS A 43 -1.423 8.692 -8.282 1.00 0.00 C ATOM 649 CG LYS A 43 -0.391 9.132 -9.308 1.00 0.00 C ATOM 650 CD LYS A 43 0.036 10.574 -9.087 1.00 0.00 C ATOM 651 CE LYS A 43 1.067 11.013 -10.114 1.00 0.00 C ATOM 652 NZ LYS A 43 2.300 10.180 -10.057 1.00 0.00 N ATOM 0 H LYS A 43 0.157 6.788 -8.452 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.601 6.998 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.288 9.352 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.003 8.810 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.481 8.481 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.804 9.024 -10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.836 11.226 -9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.450 10.682 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.634 10.951 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.327 12.058 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.059 10.647 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.596 10.065 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.107 9.246 -10.471 1.00 0.00 H new ATOM 666 N SER A 44 -3.895 7.287 -9.817 1.00 0.00 N ATOM 667 CA SER A 44 -4.678 7.159 -11.041 1.00 0.00 C ATOM 668 C SER A 44 -5.699 8.286 -11.158 1.00 0.00 C ATOM 669 O SER A 44 -6.479 8.528 -10.236 1.00 0.00 O ATOM 670 CB SER A 44 -5.395 5.809 -11.065 1.00 0.00 C ATOM 671 OG SER A 44 -4.470 4.738 -11.004 1.00 0.00 O ATOM 0 H SER A 44 -4.439 7.541 -8.992 1.00 0.00 H new ATOM 0 HA SER A 44 -3.995 7.223 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.085 5.746 -10.224 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.991 5.727 -11.974 1.00 0.00 H new ATOM 0 HG SER A 44 -4.954 3.886 -11.019 1.00 0.00 H new ATOM 677 N GLY A 45 -5.690 8.967 -12.300 1.00 0.00 N ATOM 678 CA GLY A 45 -6.620 10.061 -12.531 1.00 0.00 C ATOM 679 C GLY A 45 -6.343 11.272 -11.656 1.00 0.00 C ATOM 680 O GLY A 45 -6.109 12.368 -12.166 1.00 0.00 O ATOM 0 H GLY A 45 -5.052 8.780 -13.074 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.570 10.358 -13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.636 9.712 -12.347 1.00 0.00 H new ATOM 684 N ASP A 46 -6.369 11.075 -10.341 1.00 0.00 N ATOM 685 CA ASP A 46 -6.123 12.157 -9.394 1.00 0.00 C ATOM 686 C ASP A 46 -5.714 11.601 -8.033 1.00 0.00 C ATOM 687 O ASP A 46 -4.803 12.119 -7.387 1.00 0.00 O ATOM 688 CB ASP A 46 -7.372 13.029 -9.239 1.00 0.00 C ATOM 689 CG ASP A 46 -7.789 13.689 -10.539 1.00 0.00 C ATOM 690 OD1 ASP A 46 -6.982 14.461 -11.097 1.00 0.00 O ATOM 691 OD2 ASP A 46 -8.922 13.435 -10.998 1.00 0.00 O ATOM 0 H ASP A 46 -6.559 10.172 -9.906 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.309 12.767 -9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.194 12.417 -8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.183 13.798 -8.490 1.00 0.00 H new ATOM 696 N VAL A 47 -6.396 10.544 -7.603 1.00 0.00 N ATOM 697 CA VAL A 47 -6.107 9.914 -6.320 1.00 0.00 C ATOM 698 C VAL A 47 -4.726 9.267 -6.328 1.00 0.00 C ATOM 699 O VAL A 47 -4.360 8.580 -7.282 1.00 0.00 O ATOM 700 CB VAL A 47 -7.162 8.844 -5.976 1.00 0.00 C ATOM 701 CG1 VAL A 47 -6.906 8.255 -4.595 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.563 9.431 -6.065 1.00 0.00 C ATOM 0 H VAL A 47 -7.154 10.105 -8.126 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.133 10.698 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.083 8.037 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.663 7.502 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.919 7.794 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.953 9.047 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.296 8.662 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.656 10.259 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.742 9.793 -7.077 1.00 0.00 H new ATOM 712 N GLU A 48 -3.963 9.490 -5.263 1.00 0.00 N ATOM 713 CA GLU A 48 -2.621 8.926 -5.158 1.00 0.00 C ATOM 714 C GLU A 48 -2.514 8.000 -3.951 1.00 0.00 C ATOM 715 O GLU A 48 -2.952 8.343 -2.853 1.00 0.00 O ATOM 716 CB GLU A 48 -1.578 10.040 -5.045 1.00 0.00 C ATOM 717 CG GLU A 48 -1.769 11.165 -6.052 1.00 0.00 C ATOM 718 CD GLU A 48 -0.728 12.259 -5.914 1.00 0.00 C ATOM 719 OE1 GLU A 48 0.144 12.143 -5.027 1.00 0.00 O ATOM 720 OE2 GLU A 48 -0.786 13.233 -6.693 1.00 0.00 O ATOM 0 H GLU A 48 -4.249 10.055 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.430 8.348 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.612 10.456 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.585 9.610 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.727 10.755 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.762 11.596 -5.924 1.00 0.00 H new ATOM 727 N LEU A 49 -1.919 6.831 -4.161 1.00 0.00 N ATOM 728 CA LEU A 49 -1.743 5.855 -3.090 1.00 0.00 C ATOM 729 C LEU A 49 -0.335 5.278 -3.115 1.00 0.00 C ATOM 730 O LEU A 49 0.200 4.963 -4.177 1.00 0.00 O ATOM 731 CB LEU A 49 -2.766 4.723 -3.211 1.00 0.00 C ATOM 732 CG LEU A 49 -4.223 5.133 -3.000 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.395 5.820 -1.652 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.699 6.032 -4.134 1.00 0.00 C ATOM 0 H LEU A 49 -1.550 6.535 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.899 6.370 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.672 4.275 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.515 3.950 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.838 4.233 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.439 6.105 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.101 5.137 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.768 6.711 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.739 6.312 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.082 6.930 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.617 5.498 -5.081 1.00 0.00 H new ATOM 746 N LYS A 50 0.262 5.145 -1.937 1.00 0.00 N ATOM 747 CA LYS A 50 1.611 4.609 -1.824 1.00 0.00 C ATOM 748 C LYS A 50 2.013 4.470 -0.361 1.00 0.00 C ATOM 749 O LYS A 50 1.475 5.152 0.505 1.00 0.00 O ATOM 750 CB LYS A 50 2.599 5.506 -2.570 1.00 0.00 C ATOM 751 CG LYS A 50 2.757 6.887 -1.960 1.00 0.00 C ATOM 752 CD LYS A 50 3.639 7.773 -2.823 1.00 0.00 C ATOM 753 CE LYS A 50 3.768 9.173 -2.245 1.00 0.00 C ATOM 754 NZ LYS A 50 4.664 10.033 -3.066 1.00 0.00 N ATOM 0 H LYS A 50 -0.167 5.401 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 50 1.630 3.618 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.573 5.016 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.270 5.612 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.777 7.350 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.190 6.800 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.628 7.324 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.223 7.832 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.781 9.632 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.156 9.111 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.340 11.020 -3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.636 9.968 -2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.642 9.712 -4.055 1.00 0.00 H new ATOM 768 N ALA A 51 2.951 3.571 -0.092 1.00 0.00 N ATOM 769 CA ALA A 51 3.416 3.324 1.270 1.00 0.00 C ATOM 770 C ALA A 51 3.730 4.623 2.014 1.00 0.00 C ATOM 771 O ALA A 51 3.447 4.751 3.202 1.00 0.00 O ATOM 772 CB ALA A 51 4.638 2.419 1.248 1.00 0.00 C ATOM 0 H ALA A 51 3.407 2.998 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 51 2.608 2.829 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.977 2.241 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.379 1.469 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.435 2.898 0.679 1.00 0.00 H new ATOM 778 N SER A 52 4.322 5.581 1.319 1.00 0.00 N ATOM 779 CA SER A 52 4.672 6.854 1.939 1.00 0.00 C ATOM 780 C SER A 52 3.426 7.610 2.406 1.00 0.00 C ATOM 781 O SER A 52 3.365 8.074 3.545 1.00 0.00 O ATOM 782 CB SER A 52 5.475 7.714 0.965 1.00 0.00 C ATOM 783 OG SER A 52 5.783 8.976 1.530 1.00 0.00 O ATOM 0 H SER A 52 4.570 5.505 0.332 1.00 0.00 H new ATOM 0 HA SER A 52 5.284 6.641 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.397 7.199 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.907 7.853 0.045 1.00 0.00 H new ATOM 0 HG SER A 52 6.298 9.506 0.886 1.00 0.00 H new ATOM 789 N ASP A 53 2.442 7.744 1.520 1.00 0.00 N ATOM 790 CA ASP A 53 1.208 8.457 1.844 1.00 0.00 C ATOM 791 C ASP A 53 0.318 7.671 2.807 1.00 0.00 C ATOM 792 O ASP A 53 -0.100 8.192 3.840 1.00 0.00 O ATOM 793 CB ASP A 53 0.430 8.766 0.562 1.00 0.00 C ATOM 794 CG ASP A 53 1.170 9.727 -0.349 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.286 10.152 0.019 1.00 0.00 O ATOM 796 OD2 ASP A 53 0.636 10.055 -1.429 1.00 0.00 O ATOM 0 H ASP A 53 2.475 7.368 0.572 1.00 0.00 H new ATOM 0 HA ASP A 53 1.493 9.384 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.237 7.837 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.539 9.191 0.823 1.00 0.00 H new ATOM 801 N ALA A 54 0.007 6.429 2.449 1.00 0.00 N ATOM 802 CA ALA A 54 -0.858 5.586 3.268 1.00 0.00 C ATOM 803 C ALA A 54 -0.072 4.724 4.255 1.00 0.00 C ATOM 804 O ALA A 54 -0.431 4.634 5.429 1.00 0.00 O ATOM 805 CB ALA A 54 -1.721 4.710 2.376 1.00 0.00 C ATOM 0 H ALA A 54 0.342 5.983 1.595 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.492 6.248 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.364 4.083 2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.337 5.340 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.082 4.078 1.759 1.00 0.00 H new ATOM 811 N GLY A 55 0.990 4.078 3.775 1.00 0.00 N ATOM 812 CA GLY A 55 1.795 3.218 4.634 1.00 0.00 C ATOM 813 C GLY A 55 2.105 3.845 5.982 1.00 0.00 C ATOM 814 O GLY A 55 2.266 3.140 6.979 1.00 0.00 O ATOM 0 H GLY A 55 1.308 4.134 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.269 2.276 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.730 2.981 4.127 1.00 0.00 H new ATOM 818 N GLN A 56 2.183 5.171 6.011 1.00 0.00 N ATOM 819 CA GLN A 56 2.471 5.905 7.243 1.00 0.00 C ATOM 820 C GLN A 56 1.648 5.377 8.414 1.00 0.00 C ATOM 821 O GLN A 56 2.074 5.441 9.567 1.00 0.00 O ATOM 822 CB GLN A 56 2.177 7.392 7.048 1.00 0.00 C ATOM 823 CG GLN A 56 0.759 7.667 6.565 1.00 0.00 C ATOM 824 CD GLN A 56 0.439 9.145 6.340 1.00 0.00 C ATOM 825 OE1 GLN A 56 -0.676 9.482 5.943 1.00 0.00 O ATOM 826 NE2 GLN A 56 1.396 10.042 6.587 1.00 0.00 N ATOM 0 H GLN A 56 2.050 5.764 5.192 1.00 0.00 H new ATOM 0 HA GLN A 56 3.527 5.763 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.340 7.914 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.885 7.804 6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.596 7.127 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.056 7.263 7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.311 9.734 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.212 11.036 6.447 1.00 0.00 H new ATOM 835 N VAL A 57 0.459 4.871 8.110 1.00 0.00 N ATOM 836 CA VAL A 57 -0.444 4.346 9.127 1.00 0.00 C ATOM 837 C VAL A 57 -0.036 2.955 9.624 1.00 0.00 C ATOM 838 O VAL A 57 -0.885 2.177 10.061 1.00 0.00 O ATOM 839 CB VAL A 57 -1.887 4.296 8.599 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.353 5.695 8.216 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.993 3.345 7.414 1.00 0.00 C ATOM 0 H VAL A 57 0.095 4.813 7.159 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.381 5.031 9.973 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.536 3.920 9.390 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.376 5.648 7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.315 6.344 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.702 6.095 7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.022 3.324 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.337 3.686 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.696 2.343 7.724 1.00 0.00 H new ATOM 851 N LEU A 58 1.257 2.644 9.569 1.00 0.00 N ATOM 852 CA LEU A 58 1.749 1.350 10.031 1.00 0.00 C ATOM 853 C LEU A 58 2.977 1.542 10.919 1.00 0.00 C ATOM 854 O LEU A 58 4.004 2.056 10.475 1.00 0.00 O ATOM 855 CB LEU A 58 2.092 0.455 8.836 1.00 0.00 C ATOM 856 CG LEU A 58 0.992 0.337 7.775 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.474 -0.492 6.592 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.275 -0.267 8.373 1.00 0.00 C ATOM 0 H LEU A 58 1.980 3.268 9.211 1.00 0.00 H new ATOM 0 HA LEU A 58 0.967 0.865 10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.994 0.840 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.328 -0.543 9.205 1.00 0.00 H new ATOM 0 HG LEU A 58 0.755 1.339 7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.679 -0.564 5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.346 -0.015 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.743 -1.492 6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.042 -0.341 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.055 -1.261 8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.634 0.369 9.182 1.00 0.00 H new ATOM 870 N THR A 59 2.858 1.141 12.183 1.00 0.00 N ATOM 871 CA THR A 59 3.946 1.281 13.147 1.00 0.00 C ATOM 872 C THR A 59 5.056 0.261 12.914 1.00 0.00 C ATOM 873 O THR A 59 4.843 -0.775 12.283 1.00 0.00 O ATOM 874 CB THR A 59 3.434 1.138 14.593 1.00 0.00 C ATOM 875 OG1 THR A 59 2.824 -0.145 14.775 1.00 0.00 O ATOM 876 CG2 THR A 59 2.431 2.234 14.922 1.00 0.00 C ATOM 0 H THR A 59 2.014 0.714 12.565 1.00 0.00 H new ATOM 0 HA THR A 59 4.354 2.281 13.000 1.00 0.00 H new ATOM 0 HB THR A 59 4.286 1.232 15.267 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.977 -0.696 13.979 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.083 2.113 15.948 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.908 3.208 14.813 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.583 2.167 14.241 1.00 0.00 H new ATOM 884 N ALA A 60 6.244 0.564 13.439 1.00 0.00 N ATOM 885 CA ALA A 60 7.400 -0.320 13.303 1.00 0.00 C ATOM 886 C ALA A 60 7.046 -1.750 13.695 1.00 0.00 C ATOM 887 O ALA A 60 7.507 -2.705 13.071 1.00 0.00 O ATOM 888 CB ALA A 60 8.556 0.190 14.151 1.00 0.00 C ATOM 0 H ALA A 60 6.430 1.418 13.964 1.00 0.00 H new ATOM 0 HA ALA A 60 7.704 -0.322 12.256 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.411 -0.478 14.041 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.833 1.192 13.823 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.253 0.222 15.198 1.00 0.00 H new ATOM 894 N ASP A 61 6.212 -1.895 14.723 1.00 0.00 N ATOM 895 CA ASP A 61 5.787 -3.215 15.182 1.00 0.00 C ATOM 896 C ASP A 61 5.270 -4.037 14.005 1.00 0.00 C ATOM 897 O ASP A 61 5.377 -5.264 13.990 1.00 0.00 O ATOM 898 CB ASP A 61 4.700 -3.084 16.251 1.00 0.00 C ATOM 899 CG ASP A 61 4.230 -4.430 16.769 1.00 0.00 C ATOM 900 OD1 ASP A 61 5.067 -5.181 17.313 1.00 0.00 O ATOM 901 OD2 ASP A 61 3.026 -4.733 16.632 1.00 0.00 O ATOM 0 H ASP A 61 5.818 -1.117 15.252 1.00 0.00 H new ATOM 0 HA ASP A 61 6.645 -3.725 15.620 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.082 -2.492 17.082 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.851 -2.541 15.836 1.00 0.00 H new ATOM 906 N ASP A 62 4.721 -3.339 13.016 1.00 0.00 N ATOM 907 CA ASP A 62 4.191 -3.971 11.814 1.00 0.00 C ATOM 908 C ASP A 62 5.313 -4.483 10.907 1.00 0.00 C ATOM 909 O ASP A 62 5.049 -4.959 9.803 1.00 0.00 O ATOM 910 CB ASP A 62 3.334 -2.970 11.037 1.00 0.00 C ATOM 911 CG ASP A 62 2.203 -2.404 11.873 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.492 -1.774 12.912 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.029 -2.589 11.488 1.00 0.00 O ATOM 0 H ASP A 62 4.631 -2.323 13.025 1.00 0.00 H new ATOM 0 HA ASP A 62 3.585 -4.822 12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.964 -2.154 10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.920 -3.458 10.155 1.00 0.00 H new ATOM 918 N PHE A 63 6.563 -4.359 11.361 1.00 0.00 N ATOM 919 CA PHE A 63 7.718 -4.783 10.574 1.00 0.00 C ATOM 920 C PHE A 63 7.448 -6.093 9.836 1.00 0.00 C ATOM 921 O PHE A 63 7.648 -6.175 8.629 1.00 0.00 O ATOM 922 CB PHE A 63 8.949 -4.942 11.467 1.00 0.00 C ATOM 923 CG PHE A 63 10.237 -4.591 10.782 1.00 0.00 C ATOM 924 CD1 PHE A 63 10.507 -3.284 10.412 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.172 -5.573 10.498 1.00 0.00 C ATOM 926 CE1 PHE A 63 11.689 -2.961 9.774 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.356 -5.256 9.861 1.00 0.00 C ATOM 928 CZ PHE A 63 12.626 -3.933 9.526 1.00 0.00 C ATOM 0 H PHE A 63 6.799 -3.967 12.273 1.00 0.00 H new ATOM 0 HA PHE A 63 7.906 -4.006 9.833 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.832 -4.311 12.348 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.003 -5.973 11.818 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.786 -2.509 10.625 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.973 -6.597 10.778 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.876 -1.942 9.470 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.069 -6.032 9.624 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.570 -3.671 9.072 1.00 0.00 H new ATOM 938 N PRO A 64 6.983 -7.133 10.551 1.00 0.00 N ATOM 939 CA PRO A 64 6.681 -8.432 9.955 1.00 0.00 C ATOM 940 C PRO A 64 5.254 -8.502 9.423 1.00 0.00 C ATOM 941 O PRO A 64 4.372 -9.081 10.057 1.00 0.00 O ATOM 942 CB PRO A 64 6.866 -9.380 11.133 1.00 0.00 C ATOM 943 CG PRO A 64 6.439 -8.586 12.324 1.00 0.00 C ATOM 944 CD PRO A 64 6.701 -7.131 12.001 1.00 0.00 C ATOM 0 HA PRO A 64 7.310 -8.661 9.094 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.260 -10.279 11.018 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.903 -9.704 11.223 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.383 -8.750 12.538 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.995 -8.891 13.211 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.839 -6.508 12.239 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.544 -6.741 12.571 1.00 0.00 H new ATOM 952 N PHE A 65 5.029 -7.894 8.264 1.00 0.00 N ATOM 953 CA PHE A 65 3.704 -7.876 7.659 1.00 0.00 C ATOM 954 C PHE A 65 3.365 -9.206 6.994 1.00 0.00 C ATOM 955 O PHE A 65 4.224 -9.861 6.402 1.00 0.00 O ATOM 956 CB PHE A 65 3.602 -6.753 6.632 1.00 0.00 C ATOM 957 CG PHE A 65 2.644 -5.665 7.029 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.282 -5.855 6.883 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.098 -4.463 7.547 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.385 -4.870 7.243 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.206 -3.472 7.912 1.00 0.00 C ATOM 962 CZ PHE A 65 0.847 -3.676 7.760 1.00 0.00 C ATOM 0 H PHE A 65 5.746 -7.408 7.726 1.00 0.00 H new ATOM 0 HA PHE A 65 2.987 -7.705 8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.590 -6.319 6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.288 -7.172 5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.915 -6.788 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.159 -4.299 7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.676 -5.033 7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.570 -2.539 8.316 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.148 -2.903 8.045 1.00 0.00 H new ATOM 972 N LYS A 66 2.096 -9.588 7.095 1.00 0.00 N ATOM 973 CA LYS A 66 1.609 -10.831 6.510 1.00 0.00 C ATOM 974 C LYS A 66 1.631 -10.756 4.984 1.00 0.00 C ATOM 975 O LYS A 66 0.583 -10.688 4.327 1.00 0.00 O ATOM 976 CB LYS A 66 0.192 -11.130 6.997 1.00 0.00 C ATOM 977 CG LYS A 66 -0.177 -12.603 6.947 1.00 0.00 C ATOM 978 CD LYS A 66 -0.022 -13.182 5.550 1.00 0.00 C ATOM 979 CE LYS A 66 -0.448 -14.641 5.506 1.00 0.00 C ATOM 980 NZ LYS A 66 -0.260 -15.237 4.155 1.00 0.00 N ATOM 0 H LYS A 66 1.381 -9.048 7.582 1.00 0.00 H new ATOM 0 HA LYS A 66 2.270 -11.637 6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.088 -10.774 8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.517 -10.567 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.453 -13.158 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.207 -12.730 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.621 -12.605 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.017 -13.094 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.129 -15.209 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.496 -14.721 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.865 -16.077 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.519 -14.539 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.736 -15.512 4.032 1.00 0.00 H new ATOM 994 N SER A 67 2.834 -10.772 4.431 1.00 0.00 N ATOM 995 CA SER A 67 3.023 -10.721 2.990 1.00 0.00 C ATOM 996 C SER A 67 2.373 -9.488 2.366 1.00 0.00 C ATOM 997 O SER A 67 1.537 -8.824 2.982 1.00 0.00 O ATOM 998 CB SER A 67 2.481 -11.993 2.338 1.00 0.00 C ATOM 999 OG SER A 67 3.062 -13.149 2.918 1.00 0.00 O ATOM 0 H SER A 67 3.702 -10.820 4.965 1.00 0.00 H new ATOM 0 HA SER A 67 4.095 -10.651 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.398 -12.031 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.689 -11.975 1.268 1.00 0.00 H new ATOM 0 HG SER A 67 2.698 -13.950 2.486 1.00 0.00 H new ATOM 1005 N ALA A 68 2.781 -9.192 1.134 1.00 0.00 N ATOM 1006 CA ALA A 68 2.272 -8.043 0.391 1.00 0.00 C ATOM 1007 C ALA A 68 0.750 -8.012 0.351 1.00 0.00 C ATOM 1008 O ALA A 68 0.147 -6.941 0.309 1.00 0.00 O ATOM 1009 CB ALA A 68 2.836 -8.052 -1.022 1.00 0.00 C ATOM 0 H ALA A 68 3.473 -9.741 0.624 1.00 0.00 H new ATOM 0 HA ALA A 68 2.599 -7.142 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.453 -7.192 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.924 -8.000 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.536 -8.970 -1.528 1.00 0.00 H new ATOM 1015 N GLU A 69 0.132 -9.182 0.349 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.320 -9.265 0.297 1.00 0.00 C ATOM 1017 C GLU A 69 -1.979 -8.511 1.453 1.00 0.00 C ATOM 1018 O GLU A 69 -2.900 -7.720 1.230 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.771 -10.724 0.295 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.248 -11.517 1.467 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.616 -12.987 1.393 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.282 -13.384 0.415 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.239 -13.742 2.316 1.00 0.00 O ATOM 0 H GLU A 69 0.609 -10.083 0.383 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.639 -8.789 -0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.860 -10.759 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.441 -11.197 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.163 -11.420 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.643 -11.094 2.391 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.526 -8.744 2.691 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.129 -8.059 3.825 1.00 0.00 C ATOM 1032 C GLU A 70 -1.733 -6.591 3.851 1.00 0.00 C ATOM 1033 O GLU A 70 -2.520 -5.738 4.243 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.809 -8.755 5.157 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.674 -8.130 5.949 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.778 -8.419 7.436 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.742 -9.102 7.845 1.00 0.00 O ATOM 1038 OE2 GLU A 70 0.104 -7.962 8.193 1.00 0.00 O ATOM 0 H GLU A 70 -0.766 -9.384 2.923 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.210 -8.110 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.707 -8.755 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.561 -9.797 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.278 -8.507 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.675 -7.052 5.790 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.515 -6.303 3.433 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.029 -4.932 3.407 1.00 0.00 C ATOM 1047 C VAL A 71 -0.812 -4.091 2.410 1.00 0.00 C ATOM 1048 O VAL A 71 -1.086 -2.917 2.654 1.00 0.00 O ATOM 1049 CB VAL A 71 1.463 -4.896 3.069 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.991 -3.467 3.075 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.211 -5.765 4.059 1.00 0.00 C ATOM 0 H VAL A 71 0.157 -6.997 3.107 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.175 -4.508 4.401 1.00 0.00 H new ATOM 0 HB VAL A 71 1.617 -5.286 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.053 -3.471 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.451 -2.877 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.847 -3.030 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.276 -5.747 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.053 -5.385 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.843 -6.789 3.995 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.177 -4.695 1.290 1.00 0.00 N ATOM 1062 CA ALA A 72 -1.934 -3.993 0.269 1.00 0.00 C ATOM 1063 C ALA A 72 -3.321 -3.612 0.782 1.00 0.00 C ATOM 1064 O ALA A 72 -3.707 -2.443 0.752 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.051 -4.848 -0.984 1.00 0.00 C ATOM 0 H ALA A 72 -0.962 -5.667 1.067 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.400 -3.076 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.621 -4.309 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.055 -5.068 -1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.561 -5.780 -0.742 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.067 -4.610 1.252 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.416 -4.387 1.769 1.00 0.00 C ATOM 1073 C ASP A 73 -5.399 -3.548 3.047 1.00 0.00 C ATOM 1074 O ASP A 73 -6.196 -2.626 3.211 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.104 -5.726 2.039 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.230 -6.575 0.789 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.186 -6.911 0.191 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.373 -6.903 0.408 1.00 0.00 O ATOM 0 H ASP A 73 -3.760 -5.582 1.285 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.973 -3.836 1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.540 -6.276 2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.096 -5.545 2.453 1.00 0.00 H new ATOM 1083 N THR A 74 -4.490 -3.884 3.952 1.00 0.00 N ATOM 1084 CA THR A 74 -4.362 -3.182 5.226 1.00 0.00 C ATOM 1085 C THR A 74 -4.199 -1.677 5.029 1.00 0.00 C ATOM 1086 O THR A 74 -4.868 -0.882 5.690 1.00 0.00 O ATOM 1087 CB THR A 74 -3.164 -3.728 6.033 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.408 -5.089 6.407 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.906 -2.899 7.283 1.00 0.00 C ATOM 0 H THR A 74 -3.823 -4.646 3.827 1.00 0.00 H new ATOM 0 HA THR A 74 -5.283 -3.358 5.781 1.00 0.00 H new ATOM 0 HB THR A 74 -2.281 -3.669 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.475 -5.643 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.056 -3.313 7.825 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.688 -1.870 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.789 -2.920 7.922 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.306 -1.290 4.127 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.059 0.122 3.861 1.00 0.00 C ATOM 1099 C ILE A 75 -4.305 0.815 3.307 1.00 0.00 C ATOM 1100 O ILE A 75 -4.740 1.834 3.842 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.872 0.303 2.889 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.580 -0.183 3.552 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.734 1.757 2.466 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.630 -0.114 2.647 1.00 0.00 C ATOM 0 H ILE A 75 -2.742 -1.931 3.569 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.805 0.590 4.812 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.061 -0.292 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.391 0.416 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.717 -1.212 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.891 1.859 1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.648 2.079 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.564 2.377 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.507 -0.474 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.463 -0.736 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.793 0.918 2.336 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.883 0.262 2.243 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.083 0.850 1.644 1.00 0.00 C ATOM 1118 C VAL A 76 -7.193 1.044 2.674 1.00 0.00 C ATOM 1119 O VAL A 76 -7.902 2.050 2.650 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.631 0.012 0.465 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.862 0.313 -0.809 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.583 -1.477 0.776 1.00 0.00 C ATOM 0 H VAL A 76 -4.546 -0.583 1.781 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.771 1.822 1.261 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.674 0.291 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.263 -0.287 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.961 1.371 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.809 0.071 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.975 -2.039 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.552 -1.776 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.188 -1.684 1.659 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.345 0.081 3.576 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.377 0.156 4.606 1.00 0.00 C ATOM 1134 C ASN A 77 -8.201 1.385 5.495 1.00 0.00 C ATOM 1135 O ASN A 77 -9.142 2.149 5.711 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.360 -1.104 5.476 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.797 -2.342 4.717 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -7.990 -3.394 4.783 1.00 0.00 O flip ATOM 1139 ND2 ASN A 77 -9.858 -2.359 4.093 1.00 0.00 N flip ATOM 0 H ASN A 77 -6.769 -0.760 3.616 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.336 0.236 4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.354 -1.258 5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.016 -0.958 6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.449 -1.528 4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.147 -3.204 3.601 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.998 1.553 6.028 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.697 2.671 6.920 1.00 0.00 C ATOM 1148 C LYS A 78 -6.554 3.992 6.170 1.00 0.00 C ATOM 1149 O LYS A 78 -6.984 5.038 6.656 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.414 2.384 7.692 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.454 1.079 8.472 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.247 0.930 9.384 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.231 1.997 10.467 1.00 0.00 C ATOM 1154 NZ LYS A 78 -3.080 1.829 11.396 1.00 0.00 N ATOM 0 H LYS A 78 -6.210 0.928 5.859 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.538 2.772 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.578 2.355 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.224 3.205 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.366 1.039 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.490 0.241 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.258 -0.058 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.333 0.996 8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.183 2.983 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.162 1.955 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.316 2.244 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.874 0.816 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.245 2.309 11.004 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.918 3.947 5.008 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.686 5.156 4.222 1.00 0.00 C ATOM 1170 C ALA A 79 -6.981 5.762 3.684 1.00 0.00 C ATOM 1171 O ALA A 79 -7.068 6.977 3.510 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.731 4.861 3.074 1.00 0.00 C ATOM 0 H ALA A 79 -5.554 3.092 4.588 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.240 5.892 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.566 5.770 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.780 4.507 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.162 4.094 2.430 1.00 0.00 H new ATOM 1178 N GLY A 80 -7.985 4.930 3.426 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.241 5.453 2.919 1.00 0.00 C ATOM 1180 C GLY A 80 -10.063 4.429 2.168 1.00 0.00 C ATOM 1181 O GLY A 80 -11.234 4.209 2.475 1.00 0.00 O ATOM 0 H GLY A 80 -7.954 3.919 3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.828 5.837 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.034 6.296 2.259 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.450 3.822 1.166 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.122 2.832 0.339 1.00 0.00 C ATOM 1187 C LEU A 81 -10.470 1.587 1.147 1.00 0.00 C ATOM 1188 O LEU A 81 -9.573 0.741 1.346 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.231 2.465 -0.845 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.568 3.653 -1.548 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.371 3.186 -2.361 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.562 4.366 -2.450 1.00 0.00 C ATOM 1193 OXT LEU A 81 -11.638 1.467 1.575 1.00 0.00 O ATOM 0 H LEU A 81 -8.480 3.999 0.904 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.054 3.261 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.452 1.787 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.828 1.918 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.226 4.353 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.910 4.042 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.644 2.714 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.699 2.467 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.071 5.207 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.932 3.672 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.398 4.732 -1.853 1.00 0.00 H new TER 1205 LEU A 81