USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 435 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 25 ASN : amide:sc= -0.218 K(o=-0.22,f=-4!) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 GLN : amide:sc= 0.102 K(o=0.2,f=-3.7) USER MOD Set 2.2: A 17 LYS NZ :NH3+ -132:sc= 0.103 (180deg=-1.98!) USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0391 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 1.25 USER MOD Single : A 5 SER OG : rot 29:sc= 0.0783 USER MOD Single : A 6 SER OG : rot 16:sc= 0.859 USER MOD Single : A 8 GLN : amide:sc= -0.0384 K(o=-0.038,f=-0.57) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 13 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.5!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.51 K(o=-2.5,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -4.09! C(o=-5.8!,f=-4.1!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.04! C(o=-4!,f=-8.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0038 X(o=-0.0038,f=-0.11) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.18 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 39:sc= 0.518 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.742 30.937 -27.160 1.00 0.00 N ATOM 2 CA GLY A 1 -9.613 30.960 -25.714 1.00 0.00 C ATOM 3 C GLY A 1 -10.400 29.851 -25.044 1.00 0.00 C ATOM 4 O GLY A 1 -11.374 29.347 -25.603 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.867 30.564 -27.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.542 30.328 -27.428 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.910 31.902 -27.509 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.561 30.868 -25.445 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.956 31.924 -25.337 1.00 0.00 H new ATOM 8 N SER A 2 -9.977 29.469 -23.844 1.00 0.00 N ATOM 9 CA SER A 2 -10.646 28.409 -23.099 1.00 0.00 C ATOM 10 C SER A 2 -10.182 28.389 -21.646 1.00 0.00 C ATOM 11 O SER A 2 -8.983 28.352 -21.366 1.00 0.00 O ATOM 12 CB SER A 2 -10.377 27.051 -23.751 1.00 0.00 C ATOM 13 OG SER A 2 -11.146 26.030 -23.138 1.00 0.00 O ATOM 0 H SER A 2 -9.174 29.878 -23.366 1.00 0.00 H new ATOM 0 HA SER A 2 -11.718 28.607 -23.117 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.614 27.101 -24.814 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.317 26.810 -23.672 1.00 0.00 H new ATOM 0 HG SER A 2 -10.958 25.172 -23.573 1.00 0.00 H new ATOM 19 N SER A 3 -11.139 28.414 -20.725 1.00 0.00 N ATOM 20 CA SER A 3 -10.830 28.403 -19.300 1.00 0.00 C ATOM 21 C SER A 3 -12.080 28.116 -18.474 1.00 0.00 C ATOM 22 O SER A 3 -13.202 28.215 -18.971 1.00 0.00 O ATOM 23 CB SER A 3 -10.222 29.742 -18.878 1.00 0.00 C ATOM 24 OG SER A 3 -8.831 29.778 -19.146 1.00 0.00 O ATOM 0 H SER A 3 -12.136 28.442 -20.940 1.00 0.00 H new ATOM 0 HA SER A 3 -10.106 27.609 -19.117 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.719 30.554 -19.409 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.395 29.904 -17.814 1.00 0.00 H new ATOM 0 HG SER A 3 -8.612 29.110 -19.829 1.00 0.00 H new ATOM 30 N GLY A 4 -11.878 27.760 -17.209 1.00 0.00 N ATOM 31 CA GLY A 4 -12.998 27.464 -16.334 1.00 0.00 C ATOM 32 C GLY A 4 -12.817 26.159 -15.584 1.00 0.00 C ATOM 33 O GLY A 4 -12.046 25.296 -16.002 1.00 0.00 O ATOM 0 H GLY A 4 -10.959 27.671 -16.775 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.121 28.277 -15.618 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.914 27.417 -16.924 1.00 0.00 H new ATOM 37 N SER A 5 -13.529 26.016 -14.470 1.00 0.00 N ATOM 38 CA SER A 5 -13.440 24.809 -13.656 1.00 0.00 C ATOM 39 C SER A 5 -14.805 24.436 -13.086 1.00 0.00 C ATOM 40 O SER A 5 -15.524 25.286 -12.560 1.00 0.00 O ATOM 41 CB SER A 5 -12.437 25.009 -12.518 1.00 0.00 C ATOM 42 OG SER A 5 -12.857 26.042 -11.644 1.00 0.00 O ATOM 0 H SER A 5 -14.173 26.721 -14.111 1.00 0.00 H new ATOM 0 HA SER A 5 -13.097 23.995 -14.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.325 24.079 -11.960 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.458 25.253 -12.931 1.00 0.00 H new ATOM 0 HG SER A 5 -13.836 26.095 -11.647 1.00 0.00 H new ATOM 48 N SER A 6 -15.156 23.159 -13.196 1.00 0.00 N ATOM 49 CA SER A 6 -16.436 22.672 -12.695 1.00 0.00 C ATOM 50 C SER A 6 -16.287 21.283 -12.083 1.00 0.00 C ATOM 51 O SER A 6 -15.945 20.322 -12.771 1.00 0.00 O ATOM 52 CB SER A 6 -17.468 22.636 -13.824 1.00 0.00 C ATOM 53 OG SER A 6 -17.166 21.616 -14.760 1.00 0.00 O ATOM 0 H SER A 6 -14.572 22.443 -13.628 1.00 0.00 H new ATOM 0 HA SER A 6 -16.779 23.357 -11.919 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.461 22.469 -13.407 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.493 23.602 -14.329 1.00 0.00 H new ATOM 0 HG SER A 6 -16.520 20.993 -14.367 1.00 0.00 H new ATOM 59 N GLY A 7 -16.548 21.185 -10.782 1.00 0.00 N ATOM 60 CA GLY A 7 -16.438 19.911 -10.097 1.00 0.00 C ATOM 61 C GLY A 7 -15.874 20.052 -8.697 1.00 0.00 C ATOM 62 O GLY A 7 -15.910 21.135 -8.114 1.00 0.00 O ATOM 0 H GLY A 7 -16.834 21.966 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.422 19.445 -10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.800 19.244 -10.677 1.00 0.00 H new ATOM 66 N GLN A 8 -15.353 18.954 -8.158 1.00 0.00 N ATOM 67 CA GLN A 8 -14.782 18.961 -6.816 1.00 0.00 C ATOM 68 C GLN A 8 -13.262 18.851 -6.871 1.00 0.00 C ATOM 69 O GLN A 8 -12.687 17.771 -6.737 1.00 0.00 O ATOM 70 CB GLN A 8 -15.358 17.811 -5.988 1.00 0.00 C ATOM 71 CG GLN A 8 -15.332 16.471 -6.706 1.00 0.00 C ATOM 72 CD GLN A 8 -15.414 15.296 -5.752 1.00 0.00 C ATOM 73 OE1 GLN A 8 -14.735 15.267 -4.725 1.00 0.00 O ATOM 74 NE2 GLN A 8 -16.247 14.319 -6.087 1.00 0.00 N ATOM 0 H GLN A 8 -15.315 18.050 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.043 19.907 -6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.795 17.726 -5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.387 18.049 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.165 16.423 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.416 16.395 -7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.790 14.385 -6.948 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.344 13.502 -5.484 1.00 0.00 H new ATOM 83 N PRO A 9 -12.592 19.996 -7.074 1.00 0.00 N ATOM 84 CA PRO A 9 -11.130 20.055 -7.152 1.00 0.00 C ATOM 85 C PRO A 9 -10.467 19.792 -5.804 1.00 0.00 C ATOM 86 O PRO A 9 -10.858 20.362 -4.785 1.00 0.00 O ATOM 87 CB PRO A 9 -10.856 21.489 -7.611 1.00 0.00 C ATOM 88 CG PRO A 9 -12.045 22.265 -7.158 1.00 0.00 C ATOM 89 CD PRO A 9 -13.212 21.321 -7.243 1.00 0.00 C ATOM 0 HA PRO A 9 -10.727 19.295 -7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.938 21.877 -7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.737 21.543 -8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.909 22.627 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.204 23.140 -7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.949 21.522 -6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.727 21.404 -8.200 1.00 0.00 H new ATOM 97 N THR A 10 -9.459 18.924 -5.805 1.00 0.00 N ATOM 98 CA THR A 10 -8.742 18.585 -4.582 1.00 0.00 C ATOM 99 C THR A 10 -7.249 18.854 -4.728 1.00 0.00 C ATOM 100 O THR A 10 -6.581 18.261 -5.575 1.00 0.00 O ATOM 101 CB THR A 10 -8.951 17.107 -4.200 1.00 0.00 C ATOM 102 OG1 THR A 10 -8.286 16.822 -2.965 1.00 0.00 O ATOM 103 CG2 THR A 10 -8.424 16.187 -5.290 1.00 0.00 C ATOM 0 H THR A 10 -9.121 18.444 -6.639 1.00 0.00 H new ATOM 0 HA THR A 10 -9.147 19.218 -3.792 1.00 0.00 H new ATOM 0 HB THR A 10 -10.021 16.932 -4.085 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.425 15.881 -2.728 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.582 15.149 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.953 16.387 -6.222 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.358 16.365 -5.433 1.00 0.00 H new ATOM 111 N ALA A 11 -6.730 19.752 -3.896 1.00 0.00 N ATOM 112 CA ALA A 11 -5.315 20.097 -3.931 1.00 0.00 C ATOM 113 C ALA A 11 -4.785 20.386 -2.531 1.00 0.00 C ATOM 114 O ALA A 11 -5.103 21.416 -1.938 1.00 0.00 O ATOM 115 CB ALA A 11 -5.086 21.295 -4.841 1.00 0.00 C ATOM 0 H ALA A 11 -7.269 20.253 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.768 19.242 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.024 21.542 -4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.418 21.054 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.651 22.149 -4.467 1.00 0.00 H new ATOM 121 N GLN A 12 -3.977 19.469 -2.008 1.00 0.00 N ATOM 122 CA GLN A 12 -3.406 19.625 -0.676 1.00 0.00 C ATOM 123 C GLN A 12 -2.274 18.629 -0.449 1.00 0.00 C ATOM 124 O GLN A 12 -2.401 17.448 -0.770 1.00 0.00 O ATOM 125 CB GLN A 12 -4.486 19.440 0.391 1.00 0.00 C ATOM 126 CG GLN A 12 -5.020 18.019 0.475 1.00 0.00 C ATOM 127 CD GLN A 12 -6.031 17.841 1.591 1.00 0.00 C ATOM 128 OE1 GLN A 12 -6.540 18.816 2.145 1.00 0.00 O ATOM 129 NE2 GLN A 12 -6.328 16.591 1.927 1.00 0.00 N ATOM 0 H GLN A 12 -3.703 18.611 -2.487 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.999 20.633 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.079 19.724 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.313 20.118 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.482 17.752 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.189 17.331 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.882 15.813 1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.002 16.409 2.671 1.00 0.00 H new ATOM 138 N GLN A 13 -1.167 19.114 0.106 1.00 0.00 N ATOM 139 CA GLN A 13 -0.013 18.265 0.374 1.00 0.00 C ATOM 140 C GLN A 13 -0.238 17.419 1.623 1.00 0.00 C ATOM 141 O GLN A 13 -0.886 17.858 2.572 1.00 0.00 O ATOM 142 CB GLN A 13 1.246 19.118 0.542 1.00 0.00 C ATOM 143 CG GLN A 13 2.536 18.358 0.276 1.00 0.00 C ATOM 144 CD GLN A 13 2.936 18.381 -1.186 1.00 0.00 C ATOM 145 OE1 GLN A 13 2.658 19.343 -1.902 1.00 0.00 O ATOM 146 NE2 GLN A 13 3.593 17.319 -1.637 1.00 0.00 N ATOM 0 H GLN A 13 -1.046 20.089 0.378 1.00 0.00 H new ATOM 0 HA GLN A 13 0.120 17.597 -0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.190 19.971 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.272 19.517 1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.338 18.790 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.418 17.324 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.802 16.544 -1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.888 17.278 -2.612 1.00 0.00 H new ATOM 155 N GLN A 14 0.302 16.204 1.614 1.00 0.00 N ATOM 156 CA GLN A 14 0.158 15.296 2.746 1.00 0.00 C ATOM 157 C GLN A 14 1.364 14.369 2.857 1.00 0.00 C ATOM 158 O GLN A 14 1.759 13.728 1.882 1.00 0.00 O ATOM 159 CB GLN A 14 -1.123 14.472 2.607 1.00 0.00 C ATOM 160 CG GLN A 14 -1.120 13.540 1.406 1.00 0.00 C ATOM 161 CD GLN A 14 -2.510 13.290 0.858 1.00 0.00 C ATOM 162 OE1 GLN A 14 -3.222 12.398 1.321 1.00 0.00 O ATOM 163 NE2 GLN A 14 -2.906 14.077 -0.135 1.00 0.00 N ATOM 0 H GLN A 14 0.843 15.826 0.836 1.00 0.00 H new ATOM 0 HA GLN A 14 0.099 15.895 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.266 13.883 3.513 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.974 15.149 2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.496 13.967 0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.669 12.589 1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.284 14.804 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.832 13.955 -0.544 1.00 0.00 H new ATOM 172 N LEU A 15 1.945 14.303 4.049 1.00 0.00 N ATOM 173 CA LEU A 15 3.107 13.453 4.288 1.00 0.00 C ATOM 174 C LEU A 15 2.909 12.598 5.535 1.00 0.00 C ATOM 175 O LEU A 15 3.834 12.414 6.328 1.00 0.00 O ATOM 176 CB LEU A 15 4.367 14.308 4.436 1.00 0.00 C ATOM 177 CG LEU A 15 5.694 13.550 4.454 1.00 0.00 C ATOM 178 CD1 LEU A 15 6.163 13.259 3.037 1.00 0.00 C ATOM 179 CD2 LEU A 15 6.749 14.340 5.215 1.00 0.00 C ATOM 0 H LEU A 15 1.631 14.828 4.866 1.00 0.00 H new ATOM 0 HA LEU A 15 3.224 12.790 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.393 15.026 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.286 14.881 5.360 1.00 0.00 H new ATOM 0 HG LEU A 15 5.540 12.600 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.109 12.719 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.417 12.652 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.300 14.197 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.687 13.785 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.900 15.305 4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.417 14.496 6.241 1.00 0.00 H new ATOM 191 N THR A 16 1.699 12.075 5.703 1.00 0.00 N ATOM 192 CA THR A 16 1.380 11.239 6.853 1.00 0.00 C ATOM 193 C THR A 16 1.375 9.762 6.475 1.00 0.00 C ATOM 194 O THR A 16 0.513 9.001 6.912 1.00 0.00 O ATOM 195 CB THR A 16 0.010 11.607 7.453 1.00 0.00 C ATOM 196 OG1 THR A 16 -0.160 13.029 7.450 1.00 0.00 O ATOM 197 CG2 THR A 16 -0.118 11.080 8.874 1.00 0.00 C ATOM 0 H THR A 16 0.923 12.216 5.056 1.00 0.00 H new ATOM 0 HA THR A 16 2.155 11.419 7.598 1.00 0.00 H new ATOM 0 HB THR A 16 -0.765 11.147 6.840 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.034 13.255 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.094 11.352 9.277 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.017 9.995 8.870 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.665 11.515 9.495 1.00 0.00 H new ATOM 205 N LYS A 17 2.345 9.363 5.659 1.00 0.00 N ATOM 206 CA LYS A 17 2.455 7.976 5.222 1.00 0.00 C ATOM 207 C LYS A 17 3.720 7.764 4.397 1.00 0.00 C ATOM 208 O LYS A 17 4.225 8.678 3.744 1.00 0.00 O ATOM 209 CB LYS A 17 1.226 7.579 4.402 1.00 0.00 C ATOM 210 CG LYS A 17 1.156 8.255 3.044 1.00 0.00 C ATOM 211 CD LYS A 17 0.567 9.652 3.145 1.00 0.00 C ATOM 212 CE LYS A 17 -0.938 9.607 3.361 1.00 0.00 C ATOM 213 NZ LYS A 17 -1.495 10.955 3.662 1.00 0.00 N ATOM 0 H LYS A 17 3.066 9.981 5.287 1.00 0.00 H new ATOM 0 HA LYS A 17 2.511 7.345 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.228 6.498 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.327 7.825 4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.156 8.311 2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.550 7.652 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.038 10.188 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.789 10.208 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.421 9.205 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.167 8.928 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.120 10.895 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.717 11.615 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.038 11.297 2.843 1.00 0.00 H new ATOM 227 N PRO A 18 4.245 6.530 4.423 1.00 0.00 N ATOM 228 CA PRO A 18 5.457 6.170 3.680 1.00 0.00 C ATOM 229 C PRO A 18 5.227 6.146 2.173 1.00 0.00 C ATOM 230 O PRO A 18 4.089 6.190 1.708 1.00 0.00 O ATOM 231 CB PRO A 18 5.783 4.765 4.194 1.00 0.00 C ATOM 232 CG PRO A 18 4.476 4.218 4.654 1.00 0.00 C ATOM 233 CD PRO A 18 3.697 5.392 5.179 1.00 0.00 C ATOM 0 HA PRO A 18 6.259 6.892 3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.217 4.147 3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.507 4.799 5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.946 3.733 3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.619 3.466 5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.627 5.273 5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.836 5.519 6.253 1.00 0.00 H new ATOM 241 N ALA A 19 6.316 6.076 1.414 1.00 0.00 N ATOM 242 CA ALA A 19 6.233 6.044 -0.041 1.00 0.00 C ATOM 243 C ALA A 19 6.872 4.777 -0.599 1.00 0.00 C ATOM 244 O ALA A 19 8.039 4.778 -0.990 1.00 0.00 O ATOM 245 CB ALA A 19 6.896 7.277 -0.635 1.00 0.00 C ATOM 0 H ALA A 19 7.266 6.040 1.783 1.00 0.00 H new ATOM 0 HA ALA A 19 5.179 6.042 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.826 7.239 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.393 8.172 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.945 7.304 -0.339 1.00 0.00 H new ATOM 251 N LYS A 20 6.099 3.696 -0.634 1.00 0.00 N ATOM 252 CA LYS A 20 6.589 2.421 -1.145 1.00 0.00 C ATOM 253 C LYS A 20 5.430 1.516 -1.550 1.00 0.00 C ATOM 254 O LYS A 20 4.266 1.831 -1.297 1.00 0.00 O ATOM 255 CB LYS A 20 7.451 1.723 -0.091 1.00 0.00 C ATOM 256 CG LYS A 20 6.663 1.227 1.109 1.00 0.00 C ATOM 257 CD LYS A 20 7.491 0.291 1.972 1.00 0.00 C ATOM 258 CE LYS A 20 8.465 1.059 2.853 1.00 0.00 C ATOM 259 NZ LYS A 20 9.680 0.257 3.166 1.00 0.00 N ATOM 0 H LYS A 20 5.131 3.678 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 20 7.196 2.621 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.962 0.879 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.222 2.414 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.334 2.078 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.766 0.710 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.830 -0.310 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.043 -0.400 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.758 1.982 2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.969 1.344 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.319 0.815 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.403 -0.612 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.168 0.007 2.282 1.00 0.00 H new ATOM 273 N ILE A 21 5.754 0.391 -2.177 1.00 0.00 N ATOM 274 CA ILE A 21 4.740 -0.560 -2.614 1.00 0.00 C ATOM 275 C ILE A 21 4.889 -1.894 -1.889 1.00 0.00 C ATOM 276 O ILE A 21 6.001 -2.383 -1.686 1.00 0.00 O ATOM 277 CB ILE A 21 4.812 -0.803 -4.133 1.00 0.00 C ATOM 278 CG1 ILE A 21 4.690 0.521 -4.889 1.00 0.00 C ATOM 279 CG2 ILE A 21 3.722 -1.771 -4.567 1.00 0.00 C ATOM 280 CD1 ILE A 21 5.099 0.427 -6.342 1.00 0.00 C ATOM 0 H ILE A 21 6.712 0.115 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 21 3.772 -0.123 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 21 5.779 -1.247 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.659 0.869 -4.832 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.307 1.271 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.786 -1.932 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.852 -2.721 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.746 -1.354 -4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.987 1.402 -6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.140 0.109 -6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.466 -0.299 -6.852 1.00 0.00 H new ATOM 292 N THR A 22 3.760 -2.480 -1.503 1.00 0.00 N ATOM 293 CA THR A 22 3.764 -3.758 -0.802 1.00 0.00 C ATOM 294 C THR A 22 2.675 -4.681 -1.336 1.00 0.00 C ATOM 295 O THR A 22 1.659 -4.222 -1.859 1.00 0.00 O ATOM 296 CB THR A 22 3.562 -3.568 0.714 1.00 0.00 C ATOM 297 OG1 THR A 22 2.541 -2.593 0.954 1.00 0.00 O ATOM 298 CG2 THR A 22 4.857 -3.128 1.381 1.00 0.00 C ATOM 0 H THR A 22 2.831 -2.090 -1.664 1.00 0.00 H new ATOM 0 HA THR A 22 4.740 -4.212 -0.977 1.00 0.00 H new ATOM 0 HB THR A 22 3.258 -4.524 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.418 -2.479 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.690 -3.000 2.451 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.624 -3.886 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.186 -2.182 0.950 1.00 0.00 H new ATOM 306 N CYS A 23 2.892 -5.985 -1.200 1.00 0.00 N ATOM 307 CA CYS A 23 1.929 -6.974 -1.668 1.00 0.00 C ATOM 308 C CYS A 23 0.569 -6.764 -1.009 1.00 0.00 C ATOM 309 O CYS A 23 0.482 -6.515 0.193 1.00 0.00 O ATOM 310 CB CYS A 23 2.436 -8.388 -1.377 1.00 0.00 C ATOM 311 SG CYS A 23 1.293 -9.709 -1.895 1.00 0.00 S ATOM 0 H CYS A 23 3.727 -6.381 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 23 1.814 -6.851 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.392 -8.531 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.623 -8.483 -0.307 1.00 0.00 H new ATOM 316 N ALA A 24 -0.491 -6.866 -1.805 1.00 0.00 N ATOM 317 CA ALA A 24 -1.846 -6.690 -1.299 1.00 0.00 C ATOM 318 C ALA A 24 -2.353 -7.964 -0.631 1.00 0.00 C ATOM 319 O ALA A 24 -3.554 -8.132 -0.424 1.00 0.00 O ATOM 320 CB ALA A 24 -2.781 -6.275 -2.426 1.00 0.00 C ATOM 0 H ALA A 24 -0.437 -7.070 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.827 -5.900 -0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.790 -6.147 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.437 -5.334 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.787 -7.046 -3.197 1.00 0.00 H new ATOM 326 N ASN A 25 -1.429 -8.859 -0.296 1.00 0.00 N ATOM 327 CA ASN A 25 -1.783 -10.119 0.347 1.00 0.00 C ATOM 328 C ASN A 25 -0.937 -10.348 1.596 1.00 0.00 C ATOM 329 O ASN A 25 -1.464 -10.466 2.703 1.00 0.00 O ATOM 330 CB ASN A 25 -1.598 -11.283 -0.628 1.00 0.00 C ATOM 331 CG ASN A 25 -2.416 -12.499 -0.238 1.00 0.00 C ATOM 332 OD1 ASN A 25 -3.554 -12.664 -0.679 1.00 0.00 O ATOM 333 ND2 ASN A 25 -1.839 -13.359 0.594 1.00 0.00 N ATOM 0 H ASN A 25 -0.430 -8.735 -0.459 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.831 -10.065 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.883 -10.963 -1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.543 -11.556 -0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.341 -14.195 0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.894 -13.183 0.935 1.00 0.00 H new ATOM 340 N CYS A 26 0.377 -10.410 1.411 1.00 0.00 N ATOM 341 CA CYS A 26 1.298 -10.624 2.521 1.00 0.00 C ATOM 342 C CYS A 26 1.802 -9.295 3.074 1.00 0.00 C ATOM 343 O CYS A 26 2.338 -9.233 4.181 1.00 0.00 O ATOM 344 CB CYS A 26 2.480 -11.484 2.071 1.00 0.00 C ATOM 345 SG CYS A 26 3.383 -10.816 0.637 1.00 0.00 S ATOM 0 H CYS A 26 0.829 -10.315 0.501 1.00 0.00 H new ATOM 0 HA CYS A 26 0.759 -11.145 3.313 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.174 -11.594 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.117 -12.482 1.825 1.00 0.00 H new ATOM 350 N LYS A 27 1.627 -8.232 2.296 1.00 0.00 N ATOM 351 CA LYS A 27 2.063 -6.903 2.707 1.00 0.00 C ATOM 352 C LYS A 27 3.577 -6.857 2.885 1.00 0.00 C ATOM 353 O LYS A 27 4.080 -6.324 3.875 1.00 0.00 O ATOM 354 CB LYS A 27 1.372 -6.497 4.011 1.00 0.00 C ATOM 355 CG LYS A 27 -0.129 -6.309 3.871 1.00 0.00 C ATOM 356 CD LYS A 27 -0.877 -7.613 4.089 1.00 0.00 C ATOM 357 CE LYS A 27 -2.290 -7.366 4.595 1.00 0.00 C ATOM 358 NZ LYS A 27 -2.342 -7.293 6.082 1.00 0.00 N ATOM 0 H LYS A 27 1.186 -8.265 1.377 1.00 0.00 H new ATOM 0 HA LYS A 27 1.786 -6.199 1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.565 -7.258 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.814 -5.569 4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.472 -5.567 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.357 -5.919 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.917 -8.172 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.335 -8.229 4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.670 -6.436 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.945 -8.165 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.322 -7.124 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.004 -8.190 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.737 -6.514 6.413 1.00 0.00 H new ATOM 372 N LYS A 28 4.299 -7.417 1.921 1.00 0.00 N ATOM 373 CA LYS A 28 5.756 -7.438 1.969 1.00 0.00 C ATOM 374 C LYS A 28 6.345 -6.304 1.136 1.00 0.00 C ATOM 375 O LYS A 28 5.809 -5.924 0.095 1.00 0.00 O ATOM 376 CB LYS A 28 6.284 -8.783 1.466 1.00 0.00 C ATOM 377 CG LYS A 28 6.441 -9.824 2.561 1.00 0.00 C ATOM 378 CD LYS A 28 6.504 -11.230 1.989 1.00 0.00 C ATOM 379 CE LYS A 28 7.934 -11.642 1.677 1.00 0.00 C ATOM 380 NZ LYS A 28 7.998 -12.987 1.041 1.00 0.00 N ATOM 0 H LYS A 28 3.898 -7.863 1.096 1.00 0.00 H new ATOM 0 HA LYS A 28 6.062 -7.299 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.605 -9.168 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.249 -8.627 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.348 -9.621 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.605 -9.750 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.069 -11.933 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.903 -11.282 1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.388 -10.905 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.519 -11.647 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.990 -13.231 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.588 -13.695 1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.461 -12.976 0.150 1.00 0.00 H new ATOM 394 N PRO A 29 7.475 -5.752 1.601 1.00 0.00 N ATOM 395 CA PRO A 29 8.162 -4.655 0.912 1.00 0.00 C ATOM 396 C PRO A 29 8.804 -5.104 -0.396 1.00 0.00 C ATOM 397 O PRO A 29 9.928 -5.607 -0.406 1.00 0.00 O ATOM 398 CB PRO A 29 9.235 -4.223 1.915 1.00 0.00 C ATOM 399 CG PRO A 29 9.486 -5.434 2.746 1.00 0.00 C ATOM 400 CD PRO A 29 8.169 -6.155 2.835 1.00 0.00 C ATOM 0 HA PRO A 29 7.476 -3.856 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.143 -3.896 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.893 -3.388 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.248 -6.068 2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.848 -5.159 3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.305 -7.235 2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.610 -5.863 3.724 1.00 0.00 H new ATOM 408 N LEU A 30 8.084 -4.919 -1.497 1.00 0.00 N ATOM 409 CA LEU A 30 8.585 -5.305 -2.812 1.00 0.00 C ATOM 410 C LEU A 30 9.730 -4.396 -3.247 1.00 0.00 C ATOM 411 O LEU A 30 9.526 -3.214 -3.521 1.00 0.00 O ATOM 412 CB LEU A 30 7.457 -5.254 -3.844 1.00 0.00 C ATOM 413 CG LEU A 30 6.155 -5.953 -3.451 1.00 0.00 C ATOM 414 CD1 LEU A 30 5.030 -5.554 -4.393 1.00 0.00 C ATOM 415 CD2 LEU A 30 6.341 -7.463 -3.449 1.00 0.00 C ATOM 0 H LEU A 30 7.152 -4.504 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 30 8.962 -6.326 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.234 -4.209 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.819 -5.699 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 30 5.886 -5.639 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.111 -6.061 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.881 -4.475 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.291 -5.839 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.405 -7.945 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.634 -7.795 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.118 -7.733 -2.733 1.00 0.00 H new ATOM 427 N GLN A 31 10.933 -4.958 -3.309 1.00 0.00 N ATOM 428 CA GLN A 31 12.110 -4.197 -3.713 1.00 0.00 C ATOM 429 C GLN A 31 11.823 -3.371 -4.962 1.00 0.00 C ATOM 430 O GLN A 31 11.371 -3.900 -5.979 1.00 0.00 O ATOM 431 CB GLN A 31 13.288 -5.139 -3.969 1.00 0.00 C ATOM 432 CG GLN A 31 14.644 -4.500 -3.714 1.00 0.00 C ATOM 433 CD GLN A 31 14.846 -3.223 -4.505 1.00 0.00 C ATOM 434 OE1 GLN A 31 14.579 -2.126 -4.013 1.00 0.00 O ATOM 435 NE2 GLN A 31 15.320 -3.358 -5.738 1.00 0.00 N ATOM 0 H GLN A 31 11.118 -5.936 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 31 12.367 -3.516 -2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.184 -6.018 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.247 -5.486 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.745 -4.284 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.430 -5.210 -3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.528 -4.286 -6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.476 -2.533 -6.317 1.00 0.00 H new ATOM 444 N LYS A 32 12.087 -2.072 -4.880 1.00 0.00 N ATOM 445 CA LYS A 32 11.857 -1.171 -6.004 1.00 0.00 C ATOM 446 C LYS A 32 12.479 -1.726 -7.281 1.00 0.00 C ATOM 447 O LYS A 32 13.665 -2.051 -7.316 1.00 0.00 O ATOM 448 CB LYS A 32 12.437 0.212 -5.701 1.00 0.00 C ATOM 449 CG LYS A 32 11.651 0.987 -4.658 1.00 0.00 C ATOM 450 CD LYS A 32 11.772 2.487 -4.868 1.00 0.00 C ATOM 451 CE LYS A 32 13.021 3.044 -4.204 1.00 0.00 C ATOM 452 NZ LYS A 32 12.901 4.503 -3.932 1.00 0.00 N ATOM 0 H LYS A 32 12.461 -1.619 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 32 10.781 -1.083 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.465 0.098 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.471 0.792 -6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.601 0.696 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.012 0.728 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.798 2.705 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.891 2.984 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.202 2.514 -3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.884 2.864 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.773 4.845 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.753 5.012 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.093 4.673 -3.300 1.00 0.00 H new ATOM 466 N GLY A 33 11.669 -1.831 -8.331 1.00 0.00 N ATOM 467 CA GLY A 33 12.158 -2.346 -9.596 1.00 0.00 C ATOM 468 C GLY A 33 12.074 -3.857 -9.679 1.00 0.00 C ATOM 469 O GLY A 33 12.904 -4.497 -10.324 1.00 0.00 O ATOM 0 H GLY A 33 10.683 -1.568 -8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.581 -1.908 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.193 -2.035 -9.736 1.00 0.00 H new ATOM 473 N GLN A 34 11.068 -4.429 -9.024 1.00 0.00 N ATOM 474 CA GLN A 34 10.881 -5.875 -9.025 1.00 0.00 C ATOM 475 C GLN A 34 9.689 -6.268 -9.891 1.00 0.00 C ATOM 476 O GLN A 34 9.031 -5.415 -10.487 1.00 0.00 O ATOM 477 CB GLN A 34 10.679 -6.385 -7.597 1.00 0.00 C ATOM 478 CG GLN A 34 9.271 -6.167 -7.066 1.00 0.00 C ATOM 479 CD GLN A 34 8.720 -4.799 -7.418 1.00 0.00 C ATOM 480 OE1 GLN A 34 7.757 -4.767 -8.332 1.00 0.00 O flip ATOM 481 NE2 GLN A 34 9.155 -3.783 -6.876 1.00 0.00 N flip ATOM 0 H GLN A 34 10.371 -3.913 -8.487 1.00 0.00 H new ATOM 0 HA GLN A 34 11.778 -6.332 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.910 -7.450 -7.564 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.388 -5.885 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.611 -6.935 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.273 -6.286 -5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.896 -3.854 -6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.775 -2.870 -7.124 1.00 0.00 H new ATOM 490 N THR A 35 9.415 -7.568 -9.957 1.00 0.00 N ATOM 491 CA THR A 35 8.303 -8.075 -10.752 1.00 0.00 C ATOM 492 C THR A 35 7.082 -8.343 -9.880 1.00 0.00 C ATOM 493 O THR A 35 7.180 -8.996 -8.841 1.00 0.00 O ATOM 494 CB THR A 35 8.686 -9.370 -11.491 1.00 0.00 C ATOM 495 OG1 THR A 35 9.623 -9.080 -12.535 1.00 0.00 O ATOM 496 CG2 THR A 35 7.455 -10.041 -12.081 1.00 0.00 C ATOM 0 H THR A 35 9.948 -8.288 -9.470 1.00 0.00 H new ATOM 0 HA THR A 35 8.061 -7.305 -11.485 1.00 0.00 H new ATOM 0 HB THR A 35 9.142 -10.050 -10.772 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.863 -9.909 -12.999 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.751 -10.954 -12.598 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.756 -10.287 -11.281 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.974 -9.364 -12.787 1.00 0.00 H new ATOM 504 N ALA A 36 5.931 -7.836 -10.309 1.00 0.00 N ATOM 505 CA ALA A 36 4.690 -8.024 -9.569 1.00 0.00 C ATOM 506 C ALA A 36 3.578 -8.532 -10.481 1.00 0.00 C ATOM 507 O ALA A 36 3.754 -8.630 -11.695 1.00 0.00 O ATOM 508 CB ALA A 36 4.272 -6.723 -8.899 1.00 0.00 C ATOM 0 H ALA A 36 5.833 -7.292 -11.166 1.00 0.00 H new ATOM 0 HA ALA A 36 4.866 -8.776 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.343 -6.879 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.052 -6.402 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.121 -5.955 -9.658 1.00 0.00 H new ATOM 514 N TYR A 37 2.434 -8.854 -9.888 1.00 0.00 N ATOM 515 CA TYR A 37 1.294 -9.355 -10.647 1.00 0.00 C ATOM 516 C TYR A 37 0.098 -8.417 -10.517 1.00 0.00 C ATOM 517 O TYR A 37 -0.423 -8.206 -9.422 1.00 0.00 O ATOM 518 CB TYR A 37 0.911 -10.756 -10.166 1.00 0.00 C ATOM 519 CG TYR A 37 1.951 -11.809 -10.480 1.00 0.00 C ATOM 520 CD1 TYR A 37 3.173 -11.824 -9.820 1.00 0.00 C ATOM 521 CD2 TYR A 37 1.711 -12.787 -11.437 1.00 0.00 C ATOM 522 CE1 TYR A 37 4.126 -12.784 -10.103 1.00 0.00 C ATOM 523 CE2 TYR A 37 2.657 -13.751 -11.726 1.00 0.00 C ATOM 524 CZ TYR A 37 3.863 -13.745 -11.057 1.00 0.00 C ATOM 525 OH TYR A 37 4.809 -14.702 -11.343 1.00 0.00 O ATOM 0 H TYR A 37 2.271 -8.777 -8.884 1.00 0.00 H new ATOM 0 HA TYR A 37 1.582 -9.404 -11.697 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.747 -10.729 -9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.035 -11.043 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.382 -11.073 -9.073 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.768 -12.794 -11.964 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.071 -12.782 -9.580 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.453 -14.505 -12.472 1.00 0.00 H new ATOM 0 HH TYR A 37 4.466 -15.304 -12.037 1.00 0.00 H new ATOM 535 N GLN A 38 -0.331 -7.857 -11.644 1.00 0.00 N ATOM 536 CA GLN A 38 -1.465 -6.941 -11.657 1.00 0.00 C ATOM 537 C GLN A 38 -2.718 -7.634 -12.182 1.00 0.00 C ATOM 538 O GLN A 38 -2.679 -8.318 -13.205 1.00 0.00 O ATOM 539 CB GLN A 38 -1.148 -5.716 -12.516 1.00 0.00 C ATOM 540 CG GLN A 38 -1.904 -4.466 -12.096 1.00 0.00 C ATOM 541 CD GLN A 38 -3.250 -4.779 -11.473 1.00 0.00 C ATOM 542 OE1 GLN A 38 -3.331 -5.193 -10.316 1.00 0.00 O ATOM 543 NE2 GLN A 38 -4.317 -4.584 -12.239 1.00 0.00 N ATOM 0 H GLN A 38 0.089 -8.022 -12.559 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.652 -6.619 -10.632 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.078 -5.516 -12.468 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.384 -5.941 -13.556 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.300 -3.903 -11.384 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.051 -3.825 -12.966 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.204 -4.240 -13.192 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.249 -4.779 -11.874 1.00 0.00 H new ATOM 552 N ARG A 39 -3.829 -7.453 -11.475 1.00 0.00 N ATOM 553 CA ARG A 39 -5.094 -8.062 -11.869 1.00 0.00 C ATOM 554 C ARG A 39 -6.155 -6.996 -12.122 1.00 0.00 C ATOM 555 O ARG A 39 -6.782 -6.494 -11.188 1.00 0.00 O ATOM 556 CB ARG A 39 -5.576 -9.032 -10.788 1.00 0.00 C ATOM 557 CG ARG A 39 -6.391 -10.194 -11.332 1.00 0.00 C ATOM 558 CD ARG A 39 -5.548 -11.100 -12.216 1.00 0.00 C ATOM 559 NE ARG A 39 -6.269 -12.308 -12.607 1.00 0.00 N ATOM 560 CZ ARG A 39 -6.599 -13.274 -11.757 1.00 0.00 C ATOM 561 NH1 ARG A 39 -6.275 -13.174 -10.476 1.00 0.00 N ATOM 562 NH2 ARG A 39 -7.256 -14.343 -12.189 1.00 0.00 N ATOM 0 H ARG A 39 -3.879 -6.889 -10.626 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.931 -8.613 -12.795 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.712 -9.425 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.178 -8.485 -10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.801 -10.771 -10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.237 -9.811 -11.903 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.244 -10.554 -13.109 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.637 -11.377 -11.686 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.534 -12.416 -13.586 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.771 -12.353 -10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.530 -13.918 -9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.508 -14.423 -13.174 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.509 -15.084 -11.536 1.00 0.00 H new ATOM 576 N LYS A 40 -6.353 -6.653 -13.390 1.00 0.00 N ATOM 577 CA LYS A 40 -7.339 -5.648 -13.767 1.00 0.00 C ATOM 578 C LYS A 40 -8.624 -5.817 -12.962 1.00 0.00 C ATOM 579 O LYS A 40 -9.062 -6.936 -12.702 1.00 0.00 O ATOM 580 CB LYS A 40 -7.646 -5.740 -15.263 1.00 0.00 C ATOM 581 CG LYS A 40 -8.419 -6.990 -15.649 1.00 0.00 C ATOM 582 CD LYS A 40 -9.084 -6.836 -17.007 1.00 0.00 C ATOM 583 CE LYS A 40 -9.238 -8.178 -17.707 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.353 -8.165 -18.694 1.00 0.00 N ATOM 0 H LYS A 40 -5.843 -7.057 -14.175 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.921 -4.666 -13.548 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.218 -4.862 -15.563 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.709 -5.716 -15.820 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.744 -7.845 -15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.176 -7.199 -14.893 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.064 -6.374 -16.883 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.492 -6.165 -17.630 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.307 -8.432 -18.214 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.419 -8.956 -16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.425 -9.097 -19.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.246 -7.948 -18.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.168 -7.440 -19.417 1.00 0.00 H new ATOM 598 N GLY A 41 -9.224 -4.696 -12.572 1.00 0.00 N ATOM 599 CA GLY A 41 -10.453 -4.743 -11.802 1.00 0.00 C ATOM 600 C GLY A 41 -10.203 -4.709 -10.307 1.00 0.00 C ATOM 601 O GLY A 41 -10.918 -4.036 -9.566 1.00 0.00 O ATOM 0 H GLY A 41 -8.881 -3.757 -12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.085 -3.900 -12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.002 -5.650 -12.055 1.00 0.00 H new ATOM 605 N SER A 42 -9.185 -5.440 -9.863 1.00 0.00 N ATOM 606 CA SER A 42 -8.846 -5.496 -8.446 1.00 0.00 C ATOM 607 C SER A 42 -8.075 -4.249 -8.023 1.00 0.00 C ATOM 608 O SER A 42 -8.236 -3.755 -6.907 1.00 0.00 O ATOM 609 CB SER A 42 -8.018 -6.747 -8.147 1.00 0.00 C ATOM 610 OG SER A 42 -7.900 -6.959 -6.751 1.00 0.00 O ATOM 0 H SER A 42 -8.581 -6.001 -10.464 1.00 0.00 H new ATOM 0 HA SER A 42 -9.774 -5.539 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.485 -7.615 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.026 -6.644 -8.587 1.00 0.00 H new ATOM 0 HG SER A 42 -7.368 -7.765 -6.586 1.00 0.00 H new ATOM 616 N ALA A 43 -7.235 -3.747 -8.922 1.00 0.00 N ATOM 617 CA ALA A 43 -6.440 -2.557 -8.644 1.00 0.00 C ATOM 618 C ALA A 43 -5.505 -2.786 -7.461 1.00 0.00 C ATOM 619 O ALA A 43 -5.358 -1.921 -6.597 1.00 0.00 O ATOM 620 CB ALA A 43 -7.348 -1.365 -8.378 1.00 0.00 C ATOM 0 H ALA A 43 -7.087 -4.146 -9.849 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.829 -2.345 -9.522 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.741 -0.484 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.971 -1.180 -9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.984 -1.577 -7.518 1.00 0.00 H new ATOM 626 N HIS A 44 -4.876 -3.957 -7.428 1.00 0.00 N ATOM 627 CA HIS A 44 -3.955 -4.299 -6.350 1.00 0.00 C ATOM 628 C HIS A 44 -2.799 -5.148 -6.872 1.00 0.00 C ATOM 629 O HIS A 44 -3.007 -6.105 -7.619 1.00 0.00 O ATOM 630 CB HIS A 44 -4.692 -5.048 -5.240 1.00 0.00 C ATOM 631 CG HIS A 44 -5.264 -4.148 -4.188 1.00 0.00 C ATOM 632 ND1 HIS A 44 -4.491 -3.306 -3.417 1.00 0.00 N ATOM 633 CD2 HIS A 44 -6.542 -3.960 -3.783 1.00 0.00 C ATOM 634 CE1 HIS A 44 -5.269 -2.640 -2.582 1.00 0.00 C ATOM 635 NE2 HIS A 44 -6.518 -3.018 -2.784 1.00 0.00 N ATOM 0 H HIS A 44 -4.987 -4.684 -8.135 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.548 -3.372 -5.945 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.497 -5.635 -5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.005 -5.752 -4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.417 -4.458 -4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.939 -1.910 -1.857 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.333 -2.667 -2.280 1.00 0.00 H new ATOM 644 N LEU A 45 -1.583 -4.791 -6.475 1.00 0.00 N ATOM 645 CA LEU A 45 -0.394 -5.520 -6.904 1.00 0.00 C ATOM 646 C LEU A 45 -0.086 -6.669 -5.949 1.00 0.00 C ATOM 647 O LEU A 45 -0.523 -6.668 -4.798 1.00 0.00 O ATOM 648 CB LEU A 45 0.806 -4.574 -6.985 1.00 0.00 C ATOM 649 CG LEU A 45 0.716 -3.465 -8.034 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.019 -2.683 -8.096 1.00 0.00 C ATOM 651 CD2 LEU A 45 0.376 -4.047 -9.398 1.00 0.00 C ATOM 0 H LEU A 45 -1.394 -4.002 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.589 -5.936 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.946 -4.112 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.698 -5.167 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.082 -2.781 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.937 -1.898 -8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.221 -2.234 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.835 -3.356 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.316 -3.243 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.151 -4.753 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.583 -4.562 -9.345 1.00 0.00 H new ATOM 663 N PHE A 46 0.670 -7.648 -6.434 1.00 0.00 N ATOM 664 CA PHE A 46 1.038 -8.803 -5.624 1.00 0.00 C ATOM 665 C PHE A 46 2.506 -9.165 -5.828 1.00 0.00 C ATOM 666 O PHE A 46 3.088 -8.883 -6.876 1.00 0.00 O ATOM 667 CB PHE A 46 0.153 -10.001 -5.974 1.00 0.00 C ATOM 668 CG PHE A 46 -1.294 -9.799 -5.625 1.00 0.00 C ATOM 669 CD1 PHE A 46 -1.734 -9.952 -4.320 1.00 0.00 C ATOM 670 CD2 PHE A 46 -2.215 -9.456 -6.602 1.00 0.00 C ATOM 671 CE1 PHE A 46 -3.064 -9.767 -3.996 1.00 0.00 C ATOM 672 CE2 PHE A 46 -3.547 -9.269 -6.284 1.00 0.00 C ATOM 673 CZ PHE A 46 -3.972 -9.424 -4.979 1.00 0.00 C ATOM 0 H PHE A 46 1.040 -7.665 -7.384 1.00 0.00 H new ATOM 0 HA PHE A 46 0.888 -8.543 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.236 -10.204 -7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.525 -10.882 -5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.029 -10.219 -3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.888 -9.333 -7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.394 -9.890 -2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.255 -9.002 -7.055 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.012 -9.277 -4.728 1.00 0.00 H new ATOM 683 N CYS A 47 3.101 -9.791 -4.817 1.00 0.00 N ATOM 684 CA CYS A 47 4.501 -10.191 -4.883 1.00 0.00 C ATOM 685 C CYS A 47 4.671 -11.436 -5.750 1.00 0.00 C ATOM 686 O CYS A 47 5.680 -11.593 -6.437 1.00 0.00 O ATOM 687 CB CYS A 47 5.043 -10.458 -3.477 1.00 0.00 C ATOM 688 SG CYS A 47 4.454 -12.014 -2.735 1.00 0.00 S ATOM 0 H CYS A 47 2.635 -10.032 -3.942 1.00 0.00 H new ATOM 0 HA CYS A 47 5.065 -9.375 -5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.132 -10.477 -3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.762 -9.629 -2.827 1.00 0.00 H new ATOM 693 N SER A 48 3.676 -12.317 -5.712 1.00 0.00 N ATOM 694 CA SER A 48 3.717 -13.549 -6.491 1.00 0.00 C ATOM 695 C SER A 48 2.308 -14.078 -6.744 1.00 0.00 C ATOM 696 O SER A 48 1.327 -13.533 -6.238 1.00 0.00 O ATOM 697 CB SER A 48 4.549 -14.608 -5.766 1.00 0.00 C ATOM 698 OG SER A 48 5.042 -15.578 -6.674 1.00 0.00 O ATOM 0 H SER A 48 2.832 -12.201 -5.151 1.00 0.00 H new ATOM 0 HA SER A 48 4.182 -13.328 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.383 -14.130 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.940 -15.095 -5.004 1.00 0.00 H new ATOM 0 HG SER A 48 5.572 -16.243 -6.187 1.00 0.00 H new ATOM 704 N THR A 49 2.216 -15.144 -7.532 1.00 0.00 N ATOM 705 CA THR A 49 0.929 -15.747 -7.855 1.00 0.00 C ATOM 706 C THR A 49 0.248 -16.291 -6.604 1.00 0.00 C ATOM 707 O THR A 49 -0.938 -16.048 -6.375 1.00 0.00 O ATOM 708 CB THR A 49 1.084 -16.889 -8.878 1.00 0.00 C ATOM 709 OG1 THR A 49 1.908 -17.926 -8.334 1.00 0.00 O ATOM 710 CG2 THR A 49 1.696 -16.375 -10.173 1.00 0.00 C ATOM 0 H THR A 49 3.018 -15.608 -7.959 1.00 0.00 H new ATOM 0 HA THR A 49 0.312 -14.961 -8.290 1.00 0.00 H new ATOM 0 HB THR A 49 0.094 -17.289 -9.096 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.000 -18.649 -8.990 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.796 -17.198 -10.880 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.052 -15.606 -10.600 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.679 -15.952 -9.968 1.00 0.00 H new ATOM 718 N THR A 50 1.004 -17.028 -5.797 1.00 0.00 N ATOM 719 CA THR A 50 0.472 -17.606 -4.569 1.00 0.00 C ATOM 720 C THR A 50 -0.454 -16.627 -3.856 1.00 0.00 C ATOM 721 O THR A 50 -1.513 -17.009 -3.357 1.00 0.00 O ATOM 722 CB THR A 50 1.602 -18.019 -3.607 1.00 0.00 C ATOM 723 OG1 THR A 50 2.452 -18.984 -4.236 1.00 0.00 O ATOM 724 CG2 THR A 50 1.034 -18.598 -2.321 1.00 0.00 C ATOM 0 H THR A 50 1.987 -17.239 -5.971 1.00 0.00 H new ATOM 0 HA THR A 50 -0.093 -18.493 -4.856 1.00 0.00 H new ATOM 0 HB THR A 50 2.182 -17.130 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.169 -19.240 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.851 -18.882 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.411 -17.851 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.432 -19.477 -2.552 1.00 0.00 H new ATOM 732 N CYS A 51 -0.049 -15.362 -3.812 1.00 0.00 N ATOM 733 CA CYS A 51 -0.842 -14.327 -3.160 1.00 0.00 C ATOM 734 C CYS A 51 -1.978 -13.861 -4.066 1.00 0.00 C ATOM 735 O CYS A 51 -3.129 -13.762 -3.637 1.00 0.00 O ATOM 736 CB CYS A 51 0.043 -13.139 -2.782 1.00 0.00 C ATOM 737 SG CYS A 51 1.112 -13.438 -1.337 1.00 0.00 S ATOM 0 H CYS A 51 0.824 -15.029 -4.220 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.274 -14.752 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.669 -12.880 -3.636 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.592 -12.277 -2.579 1.00 0.00 H new ATOM 742 N LEU A 52 -1.648 -13.577 -5.321 1.00 0.00 N ATOM 743 CA LEU A 52 -2.639 -13.121 -6.289 1.00 0.00 C ATOM 744 C LEU A 52 -3.918 -13.947 -6.188 1.00 0.00 C ATOM 745 O LEU A 52 -5.021 -13.401 -6.164 1.00 0.00 O ATOM 746 CB LEU A 52 -2.073 -13.208 -7.707 1.00 0.00 C ATOM 747 CG LEU A 52 -3.055 -12.910 -8.841 1.00 0.00 C ATOM 748 CD1 LEU A 52 -3.064 -11.424 -9.164 1.00 0.00 C ATOM 749 CD2 LEU A 52 -2.705 -13.725 -10.078 1.00 0.00 C ATOM 0 H LEU A 52 -0.701 -13.655 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.880 -12.082 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.236 -12.514 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.671 -14.210 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.055 -13.195 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.769 -11.232 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.364 -10.861 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.066 -11.112 -9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.414 -13.500 -10.875 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.697 -13.472 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.753 -14.787 -9.839 1.00 0.00 H new ATOM 761 N SER A 53 -3.761 -15.265 -6.128 1.00 0.00 N ATOM 762 CA SER A 53 -4.903 -16.167 -6.031 1.00 0.00 C ATOM 763 C SER A 53 -5.430 -16.225 -4.600 1.00 0.00 C ATOM 764 O SER A 53 -6.620 -16.029 -4.357 1.00 0.00 O ATOM 765 CB SER A 53 -4.514 -17.570 -6.501 1.00 0.00 C ATOM 766 OG SER A 53 -3.480 -18.109 -5.696 1.00 0.00 O ATOM 0 H SER A 53 -2.855 -15.732 -6.145 1.00 0.00 H new ATOM 0 HA SER A 53 -5.694 -15.782 -6.675 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.385 -18.224 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.187 -17.531 -7.540 1.00 0.00 H new ATOM 0 HG SER A 53 -3.250 -19.006 -6.016 1.00 0.00 H new ATOM 772 N SER A 54 -4.533 -16.497 -3.657 1.00 0.00 N ATOM 773 CA SER A 54 -4.907 -16.586 -2.251 1.00 0.00 C ATOM 774 C SER A 54 -5.852 -15.452 -1.867 1.00 0.00 C ATOM 775 O SER A 54 -6.882 -15.675 -1.230 1.00 0.00 O ATOM 776 CB SER A 54 -3.659 -16.545 -1.366 1.00 0.00 C ATOM 777 OG SER A 54 -4.007 -16.429 0.002 1.00 0.00 O ATOM 0 H SER A 54 -3.543 -16.659 -3.842 1.00 0.00 H new ATOM 0 HA SER A 54 -5.423 -17.534 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.071 -17.450 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.031 -15.703 -1.657 1.00 0.00 H new ATOM 0 HG SER A 54 -3.192 -16.406 0.546 1.00 0.00 H new ATOM 783 N PHE A 55 -5.495 -14.233 -2.260 1.00 0.00 N ATOM 784 CA PHE A 55 -6.311 -13.063 -1.957 1.00 0.00 C ATOM 785 C PHE A 55 -7.774 -13.313 -2.311 1.00 0.00 C ATOM 786 O PHE A 55 -8.676 -12.962 -1.550 1.00 0.00 O ATOM 787 CB PHE A 55 -5.791 -11.842 -2.720 1.00 0.00 C ATOM 788 CG PHE A 55 -6.385 -10.545 -2.251 1.00 0.00 C ATOM 789 CD1 PHE A 55 -5.951 -9.954 -1.075 1.00 0.00 C ATOM 790 CD2 PHE A 55 -7.378 -9.916 -2.985 1.00 0.00 C ATOM 791 CE1 PHE A 55 -6.495 -8.760 -0.641 1.00 0.00 C ATOM 792 CE2 PHE A 55 -7.925 -8.722 -2.556 1.00 0.00 C ATOM 793 CZ PHE A 55 -7.484 -8.144 -1.382 1.00 0.00 C ATOM 0 H PHE A 55 -4.647 -14.030 -2.789 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.243 -12.871 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.707 -11.794 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.006 -11.968 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.179 -10.432 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.728 -10.364 -3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.147 -8.309 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.697 -8.241 -3.138 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.912 -7.212 -1.044 1.00 0.00 H new ATOM 803 N SER A 56 -8.001 -13.922 -3.470 1.00 0.00 N ATOM 804 CA SER A 56 -9.354 -14.216 -3.928 1.00 0.00 C ATOM 805 C SER A 56 -10.240 -14.645 -2.763 1.00 0.00 C ATOM 806 O SER A 56 -11.361 -14.160 -2.610 1.00 0.00 O ATOM 807 CB SER A 56 -9.327 -15.312 -4.994 1.00 0.00 C ATOM 808 OG SER A 56 -10.606 -15.485 -5.580 1.00 0.00 O ATOM 0 H SER A 56 -7.265 -14.222 -4.110 1.00 0.00 H new ATOM 0 HA SER A 56 -9.770 -13.307 -4.363 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.602 -15.055 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.998 -16.250 -4.547 1.00 0.00 H new ATOM 0 HG SER A 56 -10.562 -16.190 -6.259 1.00 0.00 H new ATOM 814 N SER A 57 -9.728 -15.557 -1.943 1.00 0.00 N ATOM 815 CA SER A 57 -10.473 -16.056 -0.793 1.00 0.00 C ATOM 816 C SER A 57 -10.314 -15.123 0.404 1.00 0.00 C ATOM 817 O SER A 57 -9.322 -15.189 1.129 1.00 0.00 O ATOM 818 CB SER A 57 -10.001 -17.463 -0.423 1.00 0.00 C ATOM 819 OG SER A 57 -10.999 -18.164 0.298 1.00 0.00 O ATOM 0 H SER A 57 -8.800 -15.966 -2.054 1.00 0.00 H new ATOM 0 HA SER A 57 -11.528 -16.094 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.748 -18.014 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.093 -17.399 0.176 1.00 0.00 H new ATOM 0 HG SER A 57 -10.673 -19.061 0.521 1.00 0.00 H new ATOM 825 N GLY A 58 -11.299 -14.253 0.604 1.00 0.00 N ATOM 826 CA GLY A 58 -11.250 -13.318 1.713 1.00 0.00 C ATOM 827 C GLY A 58 -12.335 -12.263 1.630 1.00 0.00 C ATOM 828 O GLY A 58 -13.211 -12.309 0.766 1.00 0.00 O ATOM 0 H GLY A 58 -12.130 -14.179 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.351 -13.865 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.275 -12.831 1.731 1.00 0.00 H new ATOM 832 N PRO A 59 -12.287 -11.286 2.548 1.00 0.00 N ATOM 833 CA PRO A 59 -13.267 -10.197 2.597 1.00 0.00 C ATOM 834 C PRO A 59 -13.124 -9.235 1.423 1.00 0.00 C ATOM 835 O PRO A 59 -12.457 -8.206 1.530 1.00 0.00 O ATOM 836 CB PRO A 59 -12.943 -9.487 3.914 1.00 0.00 C ATOM 837 CG PRO A 59 -11.506 -9.792 4.164 1.00 0.00 C ATOM 838 CD PRO A 59 -11.272 -11.170 3.609 1.00 0.00 C ATOM 0 HA PRO A 59 -14.291 -10.567 2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.112 -8.413 3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.572 -9.852 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.861 -9.060 3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.279 -9.757 5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.262 -11.278 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.399 -11.938 4.372 1.00 0.00 H new ATOM 846 N SER A 60 -13.754 -9.577 0.304 1.00 0.00 N ATOM 847 CA SER A 60 -13.693 -8.744 -0.892 1.00 0.00 C ATOM 848 C SER A 60 -15.085 -8.539 -1.482 1.00 0.00 C ATOM 849 O SER A 60 -15.652 -9.444 -2.094 1.00 0.00 O ATOM 850 CB SER A 60 -12.773 -9.380 -1.936 1.00 0.00 C ATOM 851 OG SER A 60 -13.171 -10.709 -2.224 1.00 0.00 O ATOM 0 H SER A 60 -14.312 -10.424 0.200 1.00 0.00 H new ATOM 0 HA SER A 60 -13.290 -7.772 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.789 -8.786 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.746 -9.376 -1.571 1.00 0.00 H new ATOM 0 HG SER A 60 -14.149 -10.759 -2.249 1.00 0.00 H new ATOM 857 N SER A 61 -15.631 -7.341 -1.293 1.00 0.00 N ATOM 858 CA SER A 61 -16.958 -7.017 -1.802 1.00 0.00 C ATOM 859 C SER A 61 -16.941 -6.897 -3.323 1.00 0.00 C ATOM 860 O SER A 61 -17.726 -7.543 -4.017 1.00 0.00 O ATOM 861 CB SER A 61 -17.460 -5.712 -1.182 1.00 0.00 C ATOM 862 OG SER A 61 -18.729 -5.355 -1.703 1.00 0.00 O ATOM 0 H SER A 61 -15.174 -6.579 -0.791 1.00 0.00 H new ATOM 0 HA SER A 61 -17.634 -7.826 -1.526 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.526 -5.822 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.745 -4.913 -1.379 1.00 0.00 H new ATOM 0 HG SER A 61 -19.029 -4.518 -1.290 1.00 0.00 H new ATOM 868 N GLY A 62 -16.040 -6.064 -3.835 1.00 0.00 N ATOM 869 CA GLY A 62 -15.937 -5.874 -5.270 1.00 0.00 C ATOM 870 C GLY A 62 -14.765 -6.623 -5.872 1.00 0.00 C ATOM 871 O GLY A 62 -14.331 -6.274 -6.969 1.00 0.00 O ATOM 0 H GLY A 62 -15.380 -5.518 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.860 -6.208 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.834 -4.811 -5.486 1.00 0.00 H new TER 875 GLY A 62 HETATM 876 ZN ZN A 101 2.583 -11.633 -1.395 1.00 0.00 ZN