USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 564 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-5.4) USER MOD Set 1.2: A 71 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 LYS NZ :NH3+ -115:sc= -0.155 (180deg=-2.11!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0503 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 5 SER OG : rot 180:sc= -0.279 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.4) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-5.6!) USER MOD Single : A 26 THR OG1 : rot -23:sc= 0.908 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 31 MET CE :methyl 158:sc= -0.58 (180deg=-1.95!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 134:sc= -0.15 (180deg=-2.78) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -2.59! K(o=-2.6!,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 103:sc= 0.418 USER MOD Single : A 59 SER OG : rot 160:sc= -0.314 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.466 K(o=-0.47,f=-1.8!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.683 14.135 -38.229 1.00 0.00 N ATOM 2 CA GLY A 1 -22.931 13.792 -37.036 1.00 0.00 C ATOM 3 C GLY A 1 -22.525 12.332 -37.006 1.00 0.00 C ATOM 4 O GLY A 1 -23.173 11.488 -37.624 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.477 14.756 -37.972 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.061 14.627 -38.902 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.051 13.267 -38.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.038 14.415 -36.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.531 14.017 -36.155 1.00 0.00 H new ATOM 8 N SER A 2 -21.448 12.034 -36.286 1.00 0.00 N ATOM 9 CA SER A 2 -20.953 10.666 -36.183 1.00 0.00 C ATOM 10 C SER A 2 -21.370 10.036 -34.857 1.00 0.00 C ATOM 11 O SER A 2 -21.817 10.728 -33.942 1.00 0.00 O ATOM 12 CB SER A 2 -19.429 10.641 -36.315 1.00 0.00 C ATOM 13 OG SER A 2 -19.036 10.620 -37.677 1.00 0.00 O ATOM 0 H SER A 2 -20.902 12.721 -35.766 1.00 0.00 H new ATOM 0 HA SER A 2 -21.391 10.086 -36.995 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.004 11.516 -35.824 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.031 9.764 -35.805 1.00 0.00 H new ATOM 0 HG SER A 2 -18.058 10.606 -37.735 1.00 0.00 H new ATOM 19 N SER A 3 -21.219 8.719 -34.761 1.00 0.00 N ATOM 20 CA SER A 3 -21.583 7.994 -33.550 1.00 0.00 C ATOM 21 C SER A 3 -20.568 6.896 -33.248 1.00 0.00 C ATOM 22 O SER A 3 -19.811 6.477 -34.123 1.00 0.00 O ATOM 23 CB SER A 3 -22.980 7.388 -33.693 1.00 0.00 C ATOM 24 OG SER A 3 -23.410 6.803 -32.476 1.00 0.00 O ATOM 0 H SER A 3 -20.847 8.132 -35.508 1.00 0.00 H new ATOM 0 HA SER A 3 -21.585 8.701 -32.720 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.686 8.161 -33.998 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.974 6.634 -34.480 1.00 0.00 H new ATOM 0 HG SER A 3 -24.306 6.424 -32.594 1.00 0.00 H new ATOM 30 N GLY A 4 -20.558 6.433 -32.001 1.00 0.00 N ATOM 31 CA GLY A 4 -19.633 5.388 -31.605 1.00 0.00 C ATOM 32 C GLY A 4 -18.721 5.820 -30.474 1.00 0.00 C ATOM 33 O GLY A 4 -18.072 6.863 -30.554 1.00 0.00 O ATOM 0 H GLY A 4 -21.174 6.764 -31.259 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.195 4.506 -31.298 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.029 5.097 -32.464 1.00 0.00 H new ATOM 37 N SER A 5 -18.672 5.017 -29.416 1.00 0.00 N ATOM 38 CA SER A 5 -17.837 5.324 -28.261 1.00 0.00 C ATOM 39 C SER A 5 -17.486 4.055 -27.490 1.00 0.00 C ATOM 40 O SER A 5 -18.085 3.001 -27.704 1.00 0.00 O ATOM 41 CB SER A 5 -18.551 6.314 -27.338 1.00 0.00 C ATOM 42 OG SER A 5 -18.945 7.477 -28.045 1.00 0.00 O ATOM 0 H SER A 5 -19.201 4.149 -29.335 1.00 0.00 H new ATOM 0 HA SER A 5 -16.913 5.775 -28.622 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.427 5.838 -26.897 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.891 6.591 -26.516 1.00 0.00 H new ATOM 0 HG SER A 5 -19.400 8.093 -27.434 1.00 0.00 H new ATOM 48 N SER A 6 -16.512 4.165 -26.593 1.00 0.00 N ATOM 49 CA SER A 6 -16.078 3.026 -25.793 1.00 0.00 C ATOM 50 C SER A 6 -15.834 3.440 -24.345 1.00 0.00 C ATOM 51 O SER A 6 -15.214 4.469 -24.078 1.00 0.00 O ATOM 52 CB SER A 6 -14.804 2.417 -26.382 1.00 0.00 C ATOM 53 OG SER A 6 -14.991 2.058 -27.740 1.00 0.00 O ATOM 0 H SER A 6 -16.008 5.031 -26.402 1.00 0.00 H new ATOM 0 HA SER A 6 -16.871 2.279 -25.811 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.985 3.131 -26.301 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.518 1.537 -25.806 1.00 0.00 H new ATOM 0 HG SER A 6 -14.162 1.673 -28.094 1.00 0.00 H new ATOM 59 N GLY A 7 -16.328 2.631 -23.413 1.00 0.00 N ATOM 60 CA GLY A 7 -16.155 2.930 -22.003 1.00 0.00 C ATOM 61 C GLY A 7 -15.852 1.692 -21.182 1.00 0.00 C ATOM 62 O GLY A 7 -15.057 0.846 -21.591 1.00 0.00 O ATOM 0 H GLY A 7 -16.845 1.774 -23.609 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.344 3.649 -21.884 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.060 3.403 -21.621 1.00 0.00 H new ATOM 66 N ARG A 8 -16.487 1.587 -20.018 1.00 0.00 N ATOM 67 CA ARG A 8 -16.279 0.445 -19.136 1.00 0.00 C ATOM 68 C ARG A 8 -17.605 -0.046 -18.561 1.00 0.00 C ATOM 69 O ARG A 8 -18.256 0.655 -17.786 1.00 0.00 O ATOM 70 CB ARG A 8 -15.326 0.820 -17.999 1.00 0.00 C ATOM 71 CG ARG A 8 -13.909 1.113 -18.464 1.00 0.00 C ATOM 72 CD ARG A 8 -13.033 1.591 -17.317 1.00 0.00 C ATOM 73 NE ARG A 8 -12.520 0.480 -16.520 1.00 0.00 N ATOM 74 CZ ARG A 8 -12.112 0.605 -15.262 1.00 0.00 C ATOM 75 NH1 ARG A 8 -12.156 1.786 -14.661 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.657 -0.453 -14.603 1.00 0.00 N ATOM 0 H ARG A 8 -17.149 2.278 -19.665 1.00 0.00 H new ATOM 0 HA ARG A 8 -15.836 -0.360 -19.722 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.718 1.696 -17.482 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.301 0.006 -17.274 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.476 0.214 -18.903 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.931 1.871 -19.246 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.198 2.168 -17.715 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.607 2.261 -16.677 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.472 -0.442 -16.953 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.504 2.602 -15.165 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.842 1.879 -13.695 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.620 -1.363 -15.062 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.344 -0.356 -13.637 1.00 0.00 H new ATOM 90 N THR A 9 -17.999 -1.256 -18.947 1.00 0.00 N ATOM 91 CA THR A 9 -19.246 -1.841 -18.472 1.00 0.00 C ATOM 92 C THR A 9 -18.996 -3.161 -17.753 1.00 0.00 C ATOM 93 O THR A 9 -18.329 -4.051 -18.282 1.00 0.00 O ATOM 94 CB THR A 9 -20.232 -2.079 -19.632 1.00 0.00 C ATOM 95 OG1 THR A 9 -21.479 -2.565 -19.123 1.00 0.00 O ATOM 96 CG2 THR A 9 -19.662 -3.077 -20.629 1.00 0.00 C ATOM 0 H THR A 9 -17.472 -1.850 -19.587 1.00 0.00 H new ATOM 0 HA THR A 9 -19.684 -1.128 -17.773 1.00 0.00 H new ATOM 0 HB THR A 9 -20.394 -1.130 -20.143 1.00 0.00 H new ATOM 0 HG1 THR A 9 -22.101 -2.712 -19.866 1.00 0.00 H new ATOM 0 HG21 THR A 9 -20.375 -3.230 -21.439 1.00 0.00 H new ATOM 0 HG22 THR A 9 -18.727 -2.691 -21.036 1.00 0.00 H new ATOM 0 HG23 THR A 9 -19.475 -4.026 -20.127 1.00 0.00 H new ATOM 104 N HIS A 10 -19.535 -3.283 -16.544 1.00 0.00 N ATOM 105 CA HIS A 10 -19.371 -4.496 -15.752 1.00 0.00 C ATOM 106 C HIS A 10 -17.904 -4.719 -15.396 1.00 0.00 C ATOM 107 O HIS A 10 -17.378 -5.821 -15.549 1.00 0.00 O ATOM 108 CB HIS A 10 -19.911 -5.706 -16.516 1.00 0.00 C ATOM 109 CG HIS A 10 -19.985 -6.952 -15.689 1.00 0.00 C ATOM 110 ND1 HIS A 10 -20.551 -6.990 -14.432 1.00 0.00 N ATOM 111 CD2 HIS A 10 -19.560 -8.212 -15.946 1.00 0.00 C ATOM 112 CE1 HIS A 10 -20.471 -8.218 -13.952 1.00 0.00 C ATOM 113 NE2 HIS A 10 -19.874 -8.979 -14.851 1.00 0.00 N ATOM 0 H HIS A 10 -20.089 -2.556 -16.092 1.00 0.00 H new ATOM 0 HA HIS A 10 -19.937 -4.376 -14.828 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -20.906 -5.472 -16.895 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -19.276 -5.892 -17.382 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -19.066 -8.551 -16.845 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -20.832 -8.544 -12.988 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -19.678 -9.975 -14.749 1.00 0.00 H new ATOM 121 N SER A 11 -17.249 -3.664 -14.921 1.00 0.00 N ATOM 122 CA SER A 11 -15.841 -3.743 -14.548 1.00 0.00 C ATOM 123 C SER A 11 -15.604 -3.102 -13.184 1.00 0.00 C ATOM 124 O SER A 11 -16.073 -1.996 -12.915 1.00 0.00 O ATOM 125 CB SER A 11 -14.973 -3.058 -15.604 1.00 0.00 C ATOM 126 OG SER A 11 -15.026 -3.753 -16.838 1.00 0.00 O ATOM 0 H SER A 11 -17.670 -2.745 -14.785 1.00 0.00 H new ATOM 0 HA SER A 11 -15.565 -4.796 -14.488 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.311 -2.032 -15.747 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.942 -3.009 -15.255 1.00 0.00 H new ATOM 0 HG SER A 11 -14.464 -3.294 -17.496 1.00 0.00 H new ATOM 132 N GLY A 12 -14.872 -3.805 -12.325 1.00 0.00 N ATOM 133 CA GLY A 12 -14.585 -3.290 -11.000 1.00 0.00 C ATOM 134 C GLY A 12 -14.028 -4.352 -10.073 1.00 0.00 C ATOM 135 O GLY A 12 -14.779 -5.026 -9.369 1.00 0.00 O ATOM 0 H GLY A 12 -14.473 -4.722 -12.524 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.871 -2.470 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.497 -2.878 -10.568 1.00 0.00 H new ATOM 139 N GLU A 13 -12.707 -4.503 -10.073 1.00 0.00 N ATOM 140 CA GLU A 13 -12.051 -5.493 -9.228 1.00 0.00 C ATOM 141 C GLU A 13 -10.669 -5.012 -8.798 1.00 0.00 C ATOM 142 O GLU A 13 -9.727 -5.002 -9.591 1.00 0.00 O ATOM 143 CB GLU A 13 -11.932 -6.828 -9.966 1.00 0.00 C ATOM 144 CG GLU A 13 -11.158 -7.884 -9.194 1.00 0.00 C ATOM 145 CD GLU A 13 -10.964 -9.161 -9.986 1.00 0.00 C ATOM 146 OE1 GLU A 13 -11.966 -9.869 -10.225 1.00 0.00 O ATOM 147 OE2 GLU A 13 -9.812 -9.455 -10.368 1.00 0.00 O ATOM 0 H GLU A 13 -12.071 -3.952 -10.649 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.661 -5.633 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.932 -7.206 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.443 -6.661 -10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.184 -7.483 -8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.686 -8.112 -8.268 1.00 0.00 H new ATOM 154 N LYS A 14 -10.554 -4.612 -7.536 1.00 0.00 N ATOM 155 CA LYS A 14 -9.288 -4.129 -6.997 1.00 0.00 C ATOM 156 C LYS A 14 -9.192 -4.406 -5.500 1.00 0.00 C ATOM 157 O LYS A 14 -9.866 -3.777 -4.684 1.00 0.00 O ATOM 158 CB LYS A 14 -9.137 -2.629 -7.260 1.00 0.00 C ATOM 159 CG LYS A 14 -9.157 -2.265 -8.735 1.00 0.00 C ATOM 160 CD LYS A 14 -9.201 -0.759 -8.937 1.00 0.00 C ATOM 161 CE LYS A 14 -8.844 -0.378 -10.365 1.00 0.00 C ATOM 162 NZ LYS A 14 -10.041 -0.354 -11.249 1.00 0.00 N ATOM 0 H LYS A 14 -11.324 -4.613 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.481 -4.663 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.941 -2.097 -6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.200 -2.284 -6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.272 -2.673 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.024 -2.723 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.198 -0.388 -8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.508 -0.278 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.369 0.603 -10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.116 -1.087 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.755 -0.090 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.480 -1.296 -11.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.725 0.341 -10.888 1.00 0.00 H new ATOM 176 N PRO A 15 -8.334 -5.368 -5.129 1.00 0.00 N ATOM 177 CA PRO A 15 -8.129 -5.748 -3.728 1.00 0.00 C ATOM 178 C PRO A 15 -7.410 -4.663 -2.933 1.00 0.00 C ATOM 179 O PRO A 15 -7.162 -4.818 -1.737 1.00 0.00 O ATOM 180 CB PRO A 15 -7.261 -7.004 -3.826 1.00 0.00 C ATOM 181 CG PRO A 15 -6.549 -6.873 -5.128 1.00 0.00 C ATOM 182 CD PRO A 15 -7.499 -6.158 -6.048 1.00 0.00 C ATOM 0 HA PRO A 15 -9.072 -5.905 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.558 -7.065 -2.995 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.869 -7.908 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.622 -6.312 -5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.281 -7.851 -5.527 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.969 -5.522 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.096 -6.858 -6.632 1.00 0.00 H new ATOM 190 N TYR A 16 -7.078 -3.566 -3.604 1.00 0.00 N ATOM 191 CA TYR A 16 -6.385 -2.457 -2.960 1.00 0.00 C ATOM 192 C TYR A 16 -7.095 -1.136 -3.238 1.00 0.00 C ATOM 193 O TYR A 16 -7.818 -1.003 -4.225 1.00 0.00 O ATOM 194 CB TYR A 16 -4.936 -2.382 -3.446 1.00 0.00 C ATOM 195 CG TYR A 16 -4.056 -3.483 -2.898 1.00 0.00 C ATOM 196 CD1 TYR A 16 -3.553 -3.418 -1.605 1.00 0.00 C ATOM 197 CD2 TYR A 16 -3.727 -4.587 -3.675 1.00 0.00 C ATOM 198 CE1 TYR A 16 -2.748 -4.421 -1.100 1.00 0.00 C ATOM 199 CE2 TYR A 16 -2.924 -5.595 -3.178 1.00 0.00 C ATOM 200 CZ TYR A 16 -2.437 -5.508 -1.891 1.00 0.00 C ATOM 201 OH TYR A 16 -1.635 -6.510 -1.393 1.00 0.00 O ATOM 0 H TYR A 16 -7.278 -3.421 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.392 -2.633 -1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.924 -2.427 -4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.516 -1.417 -3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.795 -2.569 -0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.105 -4.658 -4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.365 -4.355 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.679 -6.447 -3.795 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.514 -7.202 -2.076 1.00 0.00 H new ATOM 211 N GLU A 17 -6.883 -0.161 -2.360 1.00 0.00 N ATOM 212 CA GLU A 17 -7.503 1.151 -2.510 1.00 0.00 C ATOM 213 C GLU A 17 -6.826 2.179 -1.610 1.00 0.00 C ATOM 214 O GLU A 17 -6.323 1.846 -0.536 1.00 0.00 O ATOM 215 CB GLU A 17 -8.996 1.074 -2.183 1.00 0.00 C ATOM 216 CG GLU A 17 -9.708 2.413 -2.272 1.00 0.00 C ATOM 217 CD GLU A 17 -11.003 2.439 -1.483 1.00 0.00 C ATOM 218 OE1 GLU A 17 -10.943 2.338 -0.240 1.00 0.00 O ATOM 219 OE2 GLU A 17 -12.076 2.560 -2.109 1.00 0.00 O ATOM 0 H GLU A 17 -6.287 -0.254 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.381 1.466 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.473 0.372 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.119 0.673 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.047 3.197 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.919 2.639 -3.317 1.00 0.00 H new ATOM 226 N CYS A 18 -6.817 3.431 -2.054 1.00 0.00 N ATOM 227 CA CYS A 18 -6.201 4.510 -1.291 1.00 0.00 C ATOM 228 C CYS A 18 -7.134 4.996 -0.186 1.00 0.00 C ATOM 229 O CYS A 18 -8.293 5.328 -0.439 1.00 0.00 O ATOM 230 CB CYS A 18 -5.838 5.674 -2.215 1.00 0.00 C ATOM 231 SG CYS A 18 -4.806 6.953 -1.430 1.00 0.00 S ATOM 0 H CYS A 18 -7.230 3.724 -2.940 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.292 4.123 -0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.312 5.282 -3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.756 6.136 -2.578 1.00 0.00 H new ATOM 236 N TYR A 19 -6.622 5.036 1.039 1.00 0.00 N ATOM 237 CA TYR A 19 -7.409 5.479 2.183 1.00 0.00 C ATOM 238 C TYR A 19 -7.440 7.002 2.266 1.00 0.00 C ATOM 239 O TYR A 19 -7.739 7.571 3.316 1.00 0.00 O ATOM 240 CB TYR A 19 -6.838 4.898 3.477 1.00 0.00 C ATOM 241 CG TYR A 19 -5.328 4.934 3.543 1.00 0.00 C ATOM 242 CD1 TYR A 19 -4.646 6.138 3.664 1.00 0.00 C ATOM 243 CD2 TYR A 19 -4.582 3.762 3.484 1.00 0.00 C ATOM 244 CE1 TYR A 19 -3.266 6.175 3.723 1.00 0.00 C ATOM 245 CE2 TYR A 19 -3.202 3.790 3.543 1.00 0.00 C ATOM 246 CZ TYR A 19 -2.549 4.998 3.662 1.00 0.00 C ATOM 247 OH TYR A 19 -1.175 5.031 3.722 1.00 0.00 O ATOM 0 H TYR A 19 -5.665 4.767 1.265 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.430 5.120 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.243 5.452 4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.173 3.866 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.204 7.061 3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.090 2.814 3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.752 7.120 3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.638 2.870 3.496 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.823 4.118 3.667 1.00 0.00 H new ATOM 257 N ILE A 20 -7.130 7.655 1.151 1.00 0.00 N ATOM 258 CA ILE A 20 -7.123 9.112 1.097 1.00 0.00 C ATOM 259 C ILE A 20 -8.076 9.625 0.023 1.00 0.00 C ATOM 260 O ILE A 20 -8.988 10.403 0.307 1.00 0.00 O ATOM 261 CB ILE A 20 -5.711 9.658 0.817 1.00 0.00 C ATOM 262 CG1 ILE A 20 -4.718 9.117 1.848 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.719 11.180 0.831 1.00 0.00 C ATOM 264 CD1 ILE A 20 -3.272 9.376 1.488 1.00 0.00 C ATOM 0 H ILE A 20 -6.881 7.199 0.273 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.453 9.466 2.073 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.398 9.324 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.930 9.570 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.870 8.043 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.714 11.551 0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.400 11.547 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.049 11.533 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.625 8.965 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.043 8.900 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.104 10.450 1.406 1.00 0.00 H new ATOM 276 N CYS A 21 -7.861 9.184 -1.212 1.00 0.00 N ATOM 277 CA CYS A 21 -8.701 9.597 -2.329 1.00 0.00 C ATOM 278 C CYS A 21 -9.618 8.460 -2.770 1.00 0.00 C ATOM 279 O CYS A 21 -10.243 8.526 -3.830 1.00 0.00 O ATOM 280 CB CYS A 21 -7.835 10.053 -3.505 1.00 0.00 C ATOM 281 SG CYS A 21 -6.845 8.723 -4.259 1.00 0.00 S ATOM 0 H CYS A 21 -7.111 8.540 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.319 10.431 -1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.479 10.490 -4.269 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.164 10.842 -3.164 1.00 0.00 H new ATOM 286 N HIS A 22 -9.694 7.417 -1.950 1.00 0.00 N ATOM 287 CA HIS A 22 -10.535 6.265 -2.255 1.00 0.00 C ATOM 288 C HIS A 22 -10.273 5.760 -3.670 1.00 0.00 C ATOM 289 O HIS A 22 -11.180 5.269 -4.342 1.00 0.00 O ATOM 290 CB HIS A 22 -12.012 6.628 -2.095 1.00 0.00 C ATOM 291 CG HIS A 22 -12.300 8.079 -2.331 1.00 0.00 C ATOM 292 ND1 HIS A 22 -12.835 8.558 -3.508 1.00 0.00 N ATOM 293 CD2 HIS A 22 -12.127 9.157 -1.531 1.00 0.00 C ATOM 294 CE1 HIS A 22 -12.977 9.869 -3.423 1.00 0.00 C ATOM 295 NE2 HIS A 22 -12.554 10.257 -2.233 1.00 0.00 N ATOM 0 H HIS A 22 -9.184 7.346 -1.070 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.286 5.469 -1.553 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.602 6.031 -2.790 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.337 6.360 -1.090 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.728 9.153 -0.528 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.372 10.513 -4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.546 11.218 -1.891 1.00 0.00 H new ATOM 303 N ALA A 23 -9.028 5.885 -4.117 1.00 0.00 N ATOM 304 CA ALA A 23 -8.647 5.440 -5.452 1.00 0.00 C ATOM 305 C ALA A 23 -8.268 3.963 -5.451 1.00 0.00 C ATOM 306 O ALA A 23 -7.180 3.592 -5.012 1.00 0.00 O ATOM 307 CB ALA A 23 -7.495 6.282 -5.980 1.00 0.00 C ATOM 0 H ALA A 23 -8.266 6.291 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.507 5.567 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.221 5.939 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.800 7.327 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.638 6.184 -5.314 1.00 0.00 H new ATOM 313 N ARG A 24 -9.174 3.125 -5.946 1.00 0.00 N ATOM 314 CA ARG A 24 -8.935 1.688 -6.000 1.00 0.00 C ATOM 315 C ARG A 24 -7.686 1.375 -6.819 1.00 0.00 C ATOM 316 O ARG A 24 -7.274 2.164 -7.669 1.00 0.00 O ATOM 317 CB ARG A 24 -10.145 0.971 -6.602 1.00 0.00 C ATOM 318 CG ARG A 24 -11.389 1.041 -5.732 1.00 0.00 C ATOM 319 CD ARG A 24 -11.465 -0.135 -4.771 1.00 0.00 C ATOM 320 NE ARG A 24 -12.192 -1.265 -5.345 1.00 0.00 N ATOM 321 CZ ARG A 24 -12.768 -2.214 -4.616 1.00 0.00 C ATOM 322 NH1 ARG A 24 -12.702 -2.171 -3.293 1.00 0.00 N ATOM 323 NH2 ARG A 24 -13.411 -3.210 -5.212 1.00 0.00 N ATOM 0 H ARG A 24 -10.079 3.417 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.779 1.332 -4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.368 1.407 -7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.889 -0.075 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.387 1.974 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.276 1.053 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.456 -0.451 -4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.955 0.181 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.261 -1.328 -6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.208 -1.407 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.146 -2.902 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.463 -3.247 -6.230 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.853 -3.939 -4.652 1.00 0.00 H new ATOM 337 N PHE A 25 -7.086 0.218 -6.555 1.00 0.00 N ATOM 338 CA PHE A 25 -5.883 -0.199 -7.266 1.00 0.00 C ATOM 339 C PHE A 25 -5.816 -1.719 -7.377 1.00 0.00 C ATOM 340 O PHE A 25 -6.054 -2.436 -6.404 1.00 0.00 O ATOM 341 CB PHE A 25 -4.636 0.327 -6.553 1.00 0.00 C ATOM 342 CG PHE A 25 -4.464 1.815 -6.664 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.866 2.375 -7.781 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.902 2.654 -5.652 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.706 3.744 -7.886 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.746 4.024 -5.751 1.00 0.00 C ATOM 347 CZ PHE A 25 -4.148 4.569 -6.870 1.00 0.00 C ATOM 0 H PHE A 25 -7.413 -0.447 -5.854 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.922 0.220 -8.272 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.687 0.053 -5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.756 -0.164 -6.968 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.521 1.735 -8.579 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.371 2.233 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.236 4.168 -8.761 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.091 4.667 -4.955 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.026 5.639 -6.951 1.00 0.00 H new ATOM 357 N THR A 26 -5.492 -2.206 -8.571 1.00 0.00 N ATOM 358 CA THR A 26 -5.395 -3.640 -8.811 1.00 0.00 C ATOM 359 C THR A 26 -3.981 -4.147 -8.552 1.00 0.00 C ATOM 360 O THR A 26 -3.705 -5.338 -8.688 1.00 0.00 O ATOM 361 CB THR A 26 -5.800 -3.997 -10.254 1.00 0.00 C ATOM 362 OG1 THR A 26 -5.694 -5.410 -10.457 1.00 0.00 O ATOM 363 CG2 THR A 26 -4.921 -3.267 -11.258 1.00 0.00 C ATOM 0 H THR A 26 -5.292 -1.628 -9.387 1.00 0.00 H new ATOM 0 HA THR A 26 -6.084 -4.123 -8.118 1.00 0.00 H new ATOM 0 HB THR A 26 -6.833 -3.686 -10.406 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.064 -5.787 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.225 -3.534 -12.270 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.027 -2.191 -11.120 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.880 -3.552 -11.105 1.00 0.00 H new ATOM 371 N GLN A 27 -3.090 -3.235 -8.178 1.00 0.00 N ATOM 372 CA GLN A 27 -1.704 -3.591 -7.900 1.00 0.00 C ATOM 373 C GLN A 27 -1.254 -3.022 -6.558 1.00 0.00 C ATOM 374 O GLN A 27 -1.357 -1.819 -6.317 1.00 0.00 O ATOM 375 CB GLN A 27 -0.790 -3.080 -9.015 1.00 0.00 C ATOM 376 CG GLN A 27 -0.872 -3.901 -10.292 1.00 0.00 C ATOM 377 CD GLN A 27 0.089 -5.073 -10.296 1.00 0.00 C ATOM 378 OE1 GLN A 27 -0.221 -6.146 -9.777 1.00 0.00 O ATOM 379 NE2 GLN A 27 1.263 -4.875 -10.883 1.00 0.00 N ATOM 0 H GLN A 27 -3.303 -2.244 -8.061 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.637 -4.678 -7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.049 -2.046 -9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.240 -3.080 -8.658 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.890 -4.270 -10.417 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.659 -3.259 -11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.478 -3.970 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.950 -5.628 -10.917 1.00 0.00 H new ATOM 388 N SER A 28 -0.756 -3.895 -5.688 1.00 0.00 N ATOM 389 CA SER A 28 -0.295 -3.480 -4.368 1.00 0.00 C ATOM 390 C SER A 28 0.809 -2.432 -4.483 1.00 0.00 C ATOM 391 O SER A 28 0.901 -1.520 -3.663 1.00 0.00 O ATOM 392 CB SER A 28 0.214 -4.688 -3.579 1.00 0.00 C ATOM 393 OG SER A 28 1.254 -5.351 -4.276 1.00 0.00 O ATOM 0 H SER A 28 -0.661 -4.894 -5.873 1.00 0.00 H new ATOM 0 HA SER A 28 -1.139 -3.038 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.575 -4.363 -2.603 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.608 -5.382 -3.400 1.00 0.00 H new ATOM 0 HG SER A 28 1.563 -6.118 -3.750 1.00 0.00 H new ATOM 399 N GLY A 29 1.644 -2.572 -5.508 1.00 0.00 N ATOM 400 CA GLY A 29 2.731 -1.631 -5.712 1.00 0.00 C ATOM 401 C GLY A 29 2.242 -0.272 -6.171 1.00 0.00 C ATOM 402 O GLY A 29 2.699 0.760 -5.679 1.00 0.00 O ATOM 0 H GLY A 29 1.588 -3.319 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.289 -1.518 -4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.422 -2.034 -6.452 1.00 0.00 H new ATOM 406 N THR A 30 1.310 -0.269 -7.120 1.00 0.00 N ATOM 407 CA THR A 30 0.761 0.974 -7.648 1.00 0.00 C ATOM 408 C THR A 30 0.183 1.837 -6.532 1.00 0.00 C ATOM 409 O THR A 30 0.510 3.018 -6.417 1.00 0.00 O ATOM 410 CB THR A 30 -0.337 0.703 -8.693 1.00 0.00 C ATOM 411 OG1 THR A 30 0.174 -0.138 -9.733 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.847 2.005 -9.292 1.00 0.00 C ATOM 0 H THR A 30 0.920 -1.114 -7.538 1.00 0.00 H new ATOM 0 HA THR A 30 1.584 1.506 -8.126 1.00 0.00 H new ATOM 0 HB THR A 30 -1.166 0.201 -8.195 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.531 -0.307 -10.393 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.622 1.788 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.262 2.631 -8.502 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.024 2.530 -9.776 1.00 0.00 H new ATOM 420 N MET A 31 -0.676 1.240 -5.713 1.00 0.00 N ATOM 421 CA MET A 31 -1.298 1.956 -4.605 1.00 0.00 C ATOM 422 C MET A 31 -0.243 2.620 -3.726 1.00 0.00 C ATOM 423 O MET A 31 -0.233 3.841 -3.566 1.00 0.00 O ATOM 424 CB MET A 31 -2.149 1.000 -3.766 1.00 0.00 C ATOM 425 CG MET A 31 -3.088 1.709 -2.804 1.00 0.00 C ATOM 426 SD MET A 31 -3.772 0.599 -1.558 1.00 0.00 S ATOM 427 CE MET A 31 -2.286 -0.216 -0.978 1.00 0.00 C ATOM 0 H MET A 31 -0.957 0.263 -5.795 1.00 0.00 H new ATOM 0 HA MET A 31 -1.940 2.733 -5.021 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.735 0.367 -4.433 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.490 0.342 -3.199 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.552 2.519 -2.309 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.903 2.164 -3.367 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.459 -0.622 0.018 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.025 -1.026 -1.660 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.468 0.503 -0.939 1.00 0.00 H new ATOM 437 N LYS A 32 0.644 1.810 -3.159 1.00 0.00 N ATOM 438 CA LYS A 32 1.705 2.318 -2.297 1.00 0.00 C ATOM 439 C LYS A 32 2.495 3.419 -2.998 1.00 0.00 C ATOM 440 O LYS A 32 2.909 4.393 -2.372 1.00 0.00 O ATOM 441 CB LYS A 32 2.645 1.183 -1.887 1.00 0.00 C ATOM 442 CG LYS A 32 2.014 0.187 -0.930 1.00 0.00 C ATOM 443 CD LYS A 32 2.931 -0.998 -0.673 1.00 0.00 C ATOM 444 CE LYS A 32 2.385 -1.897 0.425 1.00 0.00 C ATOM 445 NZ LYS A 32 3.230 -3.107 0.622 1.00 0.00 N ATOM 0 H LYS A 32 0.649 0.797 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 32 1.243 2.739 -1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.976 0.655 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.534 1.609 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.785 0.682 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.069 -0.166 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.049 -1.574 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.921 -0.639 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.329 -1.337 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.369 -2.201 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.825 -3.694 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.263 -3.655 -0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.193 -2.818 0.886 1.00 0.00 H new ATOM 459 N MET A 33 2.699 3.256 -4.302 1.00 0.00 N ATOM 460 CA MET A 33 3.437 4.238 -5.088 1.00 0.00 C ATOM 461 C MET A 33 2.574 5.461 -5.379 1.00 0.00 C ATOM 462 O MET A 33 3.084 6.519 -5.750 1.00 0.00 O ATOM 463 CB MET A 33 3.918 3.615 -6.400 1.00 0.00 C ATOM 464 CG MET A 33 5.298 2.984 -6.303 1.00 0.00 C ATOM 465 SD MET A 33 5.659 1.888 -7.689 1.00 0.00 S ATOM 466 CE MET A 33 5.662 0.296 -6.869 1.00 0.00 C ATOM 0 H MET A 33 2.364 2.454 -4.836 1.00 0.00 H new ATOM 0 HA MET A 33 4.302 4.556 -4.506 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.202 2.856 -6.717 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.932 4.383 -7.174 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.051 3.771 -6.261 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.372 2.422 -5.372 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.084 -0.417 -7.457 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.687 -0.061 -6.771 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.216 0.396 -5.879 1.00 0.00 H new ATOM 476 N HIS A 34 1.264 5.311 -5.208 1.00 0.00 N ATOM 477 CA HIS A 34 0.331 6.404 -5.452 1.00 0.00 C ATOM 478 C HIS A 34 0.212 7.302 -4.224 1.00 0.00 C ATOM 479 O HIS A 34 0.244 8.528 -4.334 1.00 0.00 O ATOM 480 CB HIS A 34 -1.045 5.854 -5.831 1.00 0.00 C ATOM 481 CG HIS A 34 -2.145 6.864 -5.721 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.441 7.766 -6.721 1.00 0.00 N ATOM 483 CD2 HIS A 34 -3.025 7.110 -4.722 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.453 8.525 -6.341 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.827 8.146 -5.132 1.00 0.00 N ATOM 0 H HIS A 34 0.825 4.443 -4.901 1.00 0.00 H new ATOM 0 HA HIS A 34 0.717 6.999 -6.280 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.008 5.479 -6.854 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.277 5.005 -5.188 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.954 7.836 -7.615 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.085 6.588 -3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.899 9.320 -6.920 1.00 0.00 H new ATOM 493 N ILE A 35 0.074 6.683 -3.056 1.00 0.00 N ATOM 494 CA ILE A 35 -0.050 7.426 -1.808 1.00 0.00 C ATOM 495 C ILE A 35 1.195 8.266 -1.543 1.00 0.00 C ATOM 496 O ILE A 35 1.135 9.283 -0.851 1.00 0.00 O ATOM 497 CB ILE A 35 -0.283 6.484 -0.612 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.504 5.596 -0.865 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.461 7.286 0.668 1.00 0.00 C ATOM 500 CD1 ILE A 35 -1.708 4.534 0.192 1.00 0.00 C ATOM 0 H ILE A 35 0.045 5.669 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.913 8.083 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 35 0.592 5.844 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.395 6.222 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.398 5.114 -1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.625 6.606 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.434 7.879 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.320 7.948 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.591 3.943 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.834 3.884 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.847 5.009 1.163 1.00 0.00 H new ATOM 512 N LEU A 36 2.322 7.835 -2.099 1.00 0.00 N ATOM 513 CA LEU A 36 3.582 8.549 -1.925 1.00 0.00 C ATOM 514 C LEU A 36 3.832 9.504 -3.088 1.00 0.00 C ATOM 515 O LEU A 36 4.767 10.304 -3.056 1.00 0.00 O ATOM 516 CB LEU A 36 4.741 7.557 -1.807 1.00 0.00 C ATOM 517 CG LEU A 36 5.419 7.158 -3.118 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.282 8.296 -3.640 1.00 0.00 C ATOM 519 CD2 LEU A 36 6.252 5.899 -2.926 1.00 0.00 C ATOM 0 H LEU A 36 2.389 6.995 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 36 3.516 9.133 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.495 7.987 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.371 6.653 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 36 4.645 6.948 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.757 7.994 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.660 9.173 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.049 8.538 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.727 5.630 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.018 6.081 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.608 5.083 -2.598 1.00 0.00 H new ATOM 531 N GLN A 37 2.989 9.415 -4.112 1.00 0.00 N ATOM 532 CA GLN A 37 3.119 10.273 -5.284 1.00 0.00 C ATOM 533 C GLN A 37 2.141 11.441 -5.215 1.00 0.00 C ATOM 534 O GLN A 37 2.493 12.580 -5.523 1.00 0.00 O ATOM 535 CB GLN A 37 2.879 9.466 -6.561 1.00 0.00 C ATOM 536 CG GLN A 37 4.099 8.688 -7.027 1.00 0.00 C ATOM 537 CD GLN A 37 4.984 9.492 -7.959 1.00 0.00 C ATOM 538 OE1 GLN A 37 5.759 10.342 -7.519 1.00 0.00 O ATOM 539 NE2 GLN A 37 4.872 9.229 -9.256 1.00 0.00 N ATOM 0 H GLN A 37 2.210 8.758 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 37 4.133 10.673 -5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.057 8.770 -6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.565 10.143 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.680 8.377 -6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.774 7.780 -7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.217 8.516 -9.577 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.441 9.740 -9.931 1.00 0.00 H new ATOM 548 N LYS A 38 0.909 11.151 -4.809 1.00 0.00 N ATOM 549 CA LYS A 38 -0.121 12.177 -4.697 1.00 0.00 C ATOM 550 C LYS A 38 -0.202 12.715 -3.272 1.00 0.00 C ATOM 551 O LYS A 38 -0.457 13.901 -3.059 1.00 0.00 O ATOM 552 CB LYS A 38 -1.480 11.611 -5.118 1.00 0.00 C ATOM 553 CG LYS A 38 -1.487 11.027 -6.520 1.00 0.00 C ATOM 554 CD LYS A 38 -1.029 12.045 -7.551 1.00 0.00 C ATOM 555 CE LYS A 38 0.438 11.857 -7.906 1.00 0.00 C ATOM 556 NZ LYS A 38 0.778 12.485 -9.213 1.00 0.00 N ATOM 0 H LYS A 38 0.600 10.214 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 38 0.146 12.999 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.777 10.838 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.228 12.402 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.835 10.154 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.492 10.684 -6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.637 11.952 -8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.185 13.052 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.060 12.290 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.669 10.792 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.786 12.335 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.203 12.054 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.582 13.505 -9.169 1.00 0.00 H new ATOM 570 N HIS A 39 0.017 11.836 -2.299 1.00 0.00 N ATOM 571 CA HIS A 39 -0.029 12.224 -0.894 1.00 0.00 C ATOM 572 C HIS A 39 1.344 12.079 -0.245 1.00 0.00 C ATOM 573 O HIS A 39 1.462 11.603 0.884 1.00 0.00 O ATOM 574 CB HIS A 39 -1.054 11.373 -0.142 1.00 0.00 C ATOM 575 CG HIS A 39 -2.360 11.233 -0.861 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.231 12.285 -1.052 1.00 0.00 N ATOM 577 CD2 HIS A 39 -2.940 10.156 -1.440 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.292 11.860 -1.715 1.00 0.00 C ATOM 579 NE2 HIS A 39 -4.140 10.572 -1.963 1.00 0.00 N ATOM 0 H HIS A 39 0.228 10.851 -2.458 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.327 13.271 -0.841 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.635 10.381 0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.234 11.817 0.837 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -3.080 13.242 -0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.535 9.156 -1.483 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.139 12.463 -2.005 1.00 0.00 H new ATOM 587 N THR A 40 2.381 12.493 -0.967 1.00 0.00 N ATOM 588 CA THR A 40 3.746 12.408 -0.463 1.00 0.00 C ATOM 589 C THR A 40 3.878 13.108 0.885 1.00 0.00 C ATOM 590 O THR A 40 4.582 12.630 1.775 1.00 0.00 O ATOM 591 CB THR A 40 4.749 13.030 -1.452 1.00 0.00 C ATOM 592 OG1 THR A 40 6.012 13.231 -0.808 1.00 0.00 O ATOM 593 CG2 THR A 40 4.231 14.356 -1.988 1.00 0.00 C ATOM 0 H THR A 40 2.301 12.891 -1.903 1.00 0.00 H new ATOM 0 HA THR A 40 3.974 11.349 -0.344 1.00 0.00 H new ATOM 0 HB THR A 40 4.873 12.342 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.645 13.625 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.957 14.776 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.284 14.195 -2.504 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.080 15.049 -1.160 1.00 0.00 H new ATOM 601 N GLU A 41 3.198 14.241 1.028 1.00 0.00 N ATOM 602 CA GLU A 41 3.241 15.005 2.269 1.00 0.00 C ATOM 603 C GLU A 41 2.003 14.733 3.119 1.00 0.00 C ATOM 604 O GLU A 41 2.105 14.461 4.314 1.00 0.00 O ATOM 605 CB GLU A 41 3.348 16.501 1.969 1.00 0.00 C ATOM 606 CG GLU A 41 2.178 17.047 1.167 1.00 0.00 C ATOM 607 CD GLU A 41 2.320 18.525 0.861 1.00 0.00 C ATOM 608 OE1 GLU A 41 3.265 18.892 0.132 1.00 0.00 O ATOM 609 OE2 GLU A 41 1.486 19.316 1.350 1.00 0.00 O ATOM 0 H GLU A 41 2.611 14.650 0.301 1.00 0.00 H new ATOM 0 HA GLU A 41 4.121 14.690 2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.419 17.047 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.272 16.688 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.093 16.493 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.254 16.882 1.721 1.00 0.00 H new ATOM 616 N ASN A 42 0.833 14.810 2.492 1.00 0.00 N ATOM 617 CA ASN A 42 -0.425 14.574 3.190 1.00 0.00 C ATOM 618 C ASN A 42 -0.283 13.438 4.198 1.00 0.00 C ATOM 619 O ASN A 42 -0.816 13.506 5.306 1.00 0.00 O ATOM 620 CB ASN A 42 -1.534 14.246 2.189 1.00 0.00 C ATOM 621 CG ASN A 42 -2.276 15.483 1.721 1.00 0.00 C ATOM 622 OD1 ASN A 42 -3.364 15.789 2.208 1.00 0.00 O ATOM 623 ND2 ASN A 42 -1.688 16.202 0.772 1.00 0.00 N ATOM 0 H ASN A 42 0.731 15.034 1.502 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.689 15.484 3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.103 13.737 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.240 13.554 2.648 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.139 17.046 0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.785 15.911 0.397 1.00 0.00 H new ATOM 630 N VAL A 43 0.441 12.394 3.807 1.00 0.00 N ATOM 631 CA VAL A 43 0.656 11.243 4.677 1.00 0.00 C ATOM 632 C VAL A 43 1.677 11.559 5.764 1.00 0.00 C ATOM 633 O VAL A 43 2.557 12.399 5.578 1.00 0.00 O ATOM 634 CB VAL A 43 1.136 10.017 3.878 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.430 10.331 3.144 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.311 8.818 4.797 1.00 0.00 C ATOM 0 H VAL A 43 0.889 12.321 2.893 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.304 11.013 5.140 1.00 0.00 H new ATOM 0 HB VAL A 43 0.377 9.769 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.754 9.453 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.266 11.159 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.200 10.606 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.651 7.961 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.049 9.052 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.359 8.581 5.271 1.00 0.00 H new ATOM 646 N ALA A 44 1.554 10.879 6.899 1.00 0.00 N ATOM 647 CA ALA A 44 2.468 11.085 8.016 1.00 0.00 C ATOM 648 C ALA A 44 3.579 10.040 8.016 1.00 0.00 C ATOM 649 O ALA A 44 4.761 10.375 7.937 1.00 0.00 O ATOM 650 CB ALA A 44 1.708 11.050 9.333 1.00 0.00 C ATOM 0 H ALA A 44 0.830 10.181 7.069 1.00 0.00 H new ATOM 0 HA ALA A 44 2.928 12.066 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.403 11.205 10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.955 11.838 9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.221 10.082 9.446 1.00 0.00 H new ATOM 656 N LYS A 45 3.192 8.772 8.106 1.00 0.00 N ATOM 657 CA LYS A 45 4.155 7.677 8.115 1.00 0.00 C ATOM 658 C LYS A 45 4.352 7.114 6.712 1.00 0.00 C ATOM 659 O LYS A 45 3.387 6.779 6.025 1.00 0.00 O ATOM 660 CB LYS A 45 3.687 6.568 9.060 1.00 0.00 C ATOM 661 CG LYS A 45 3.984 6.849 10.523 1.00 0.00 C ATOM 662 CD LYS A 45 5.346 6.311 10.929 1.00 0.00 C ATOM 663 CE LYS A 45 5.630 6.568 12.401 1.00 0.00 C ATOM 664 NZ LYS A 45 4.906 5.610 13.281 1.00 0.00 N ATOM 0 H LYS A 45 2.218 8.477 8.174 1.00 0.00 H new ATOM 0 HA LYS A 45 5.109 8.068 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.613 6.426 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.167 5.632 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.948 7.923 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.212 6.396 11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.389 5.240 10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.120 6.780 10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.702 6.490 12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.337 7.587 12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.126 5.818 14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.882 5.702 13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.204 4.639 13.057 1.00 0.00 H new ATOM 678 N PHE A 46 5.609 7.010 6.292 1.00 0.00 N ATOM 679 CA PHE A 46 5.933 6.486 4.970 1.00 0.00 C ATOM 680 C PHE A 46 6.146 4.976 5.021 1.00 0.00 C ATOM 681 O PHE A 46 6.416 4.411 6.081 1.00 0.00 O ATOM 682 CB PHE A 46 7.186 7.171 4.420 1.00 0.00 C ATOM 683 CG PHE A 46 7.025 8.653 4.232 1.00 0.00 C ATOM 684 CD1 PHE A 46 6.922 9.496 5.327 1.00 0.00 C ATOM 685 CD2 PHE A 46 6.978 9.202 2.961 1.00 0.00 C ATOM 686 CE1 PHE A 46 6.773 10.859 5.157 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.830 10.565 2.785 1.00 0.00 C ATOM 688 CZ PHE A 46 6.729 11.395 3.884 1.00 0.00 C ATOM 0 H PHE A 46 6.420 7.282 6.848 1.00 0.00 H new ATOM 0 HA PHE A 46 5.093 6.695 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.019 6.987 5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.448 6.718 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.959 9.083 6.324 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.058 8.558 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.691 11.505 6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.793 10.980 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.616 12.461 3.749 1.00 0.00 H new ATOM 698 N HIS A 47 6.022 4.328 3.867 1.00 0.00 N ATOM 699 CA HIS A 47 6.201 2.883 3.778 1.00 0.00 C ATOM 700 C HIS A 47 6.705 2.482 2.395 1.00 0.00 C ATOM 701 O HIS A 47 6.030 2.702 1.389 1.00 0.00 O ATOM 702 CB HIS A 47 4.886 2.166 4.083 1.00 0.00 C ATOM 703 CG HIS A 47 4.573 2.084 5.545 1.00 0.00 C ATOM 704 ND1 HIS A 47 4.683 0.919 6.274 1.00 0.00 N ATOM 705 CD2 HIS A 47 4.152 3.032 6.414 1.00 0.00 C ATOM 706 CE1 HIS A 47 4.342 1.154 7.529 1.00 0.00 C ATOM 707 NE2 HIS A 47 4.016 2.429 7.640 1.00 0.00 N ATOM 0 H HIS A 47 5.798 4.781 2.981 1.00 0.00 H new ATOM 0 HA HIS A 47 6.947 2.587 4.516 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.073 2.684 3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.928 1.157 3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.959 4.070 6.186 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.332 0.427 8.328 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.712 2.891 8.497 1.00 0.00 H new ATOM 715 N CYS A 48 7.895 1.892 2.352 1.00 0.00 N ATOM 716 CA CYS A 48 8.490 1.461 1.093 1.00 0.00 C ATOM 717 C CYS A 48 7.430 0.886 0.159 1.00 0.00 C ATOM 718 O CYS A 48 6.599 0.067 0.552 1.00 0.00 O ATOM 719 CB CYS A 48 9.579 0.417 1.351 1.00 0.00 C ATOM 720 SG CYS A 48 10.425 -0.162 -0.155 1.00 0.00 S ATOM 0 H CYS A 48 8.466 1.701 3.175 1.00 0.00 H new ATOM 0 HA CYS A 48 8.937 2.332 0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.319 0.840 2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.134 -0.440 1.857 1.00 0.00 H new ATOM 725 N PRO A 49 7.459 1.323 -1.109 1.00 0.00 N ATOM 726 CA PRO A 49 6.508 0.864 -2.126 1.00 0.00 C ATOM 727 C PRO A 49 6.737 -0.591 -2.519 1.00 0.00 C ATOM 728 O PRO A 49 6.044 -1.127 -3.385 1.00 0.00 O ATOM 729 CB PRO A 49 6.785 1.789 -3.314 1.00 0.00 C ATOM 730 CG PRO A 49 8.198 2.225 -3.132 1.00 0.00 C ATOM 731 CD PRO A 49 8.422 2.298 -1.647 1.00 0.00 C ATOM 0 HA PRO A 49 5.479 0.903 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.650 1.268 -4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.105 2.641 -3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.887 1.519 -3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.371 3.194 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.447 2.039 -1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.237 3.301 -1.261 1.00 0.00 H new ATOM 739 N HIS A 50 7.713 -1.226 -1.878 1.00 0.00 N ATOM 740 CA HIS A 50 8.033 -2.621 -2.161 1.00 0.00 C ATOM 741 C HIS A 50 7.829 -3.487 -0.922 1.00 0.00 C ATOM 742 O HIS A 50 6.932 -4.330 -0.881 1.00 0.00 O ATOM 743 CB HIS A 50 9.475 -2.746 -2.654 1.00 0.00 C ATOM 744 CG HIS A 50 9.871 -1.677 -3.626 1.00 0.00 C ATOM 745 ND1 HIS A 50 9.180 -1.428 -4.793 1.00 0.00 N ATOM 746 CD2 HIS A 50 10.892 -0.790 -3.597 1.00 0.00 C ATOM 747 CE1 HIS A 50 9.760 -0.434 -5.441 1.00 0.00 C ATOM 748 NE2 HIS A 50 10.801 -0.029 -4.737 1.00 0.00 N ATOM 0 H HIS A 50 8.296 -0.797 -1.159 1.00 0.00 H new ATOM 0 HA HIS A 50 7.359 -2.971 -2.942 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.147 -2.713 -1.797 1.00 0.00 H new ATOM 0 HB3 HIS A 50 9.606 -3.720 -3.125 1.00 0.00 H new ATOM 0 HD1 HIS A 50 8.351 -1.932 -5.107 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.639 -0.697 -2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.438 -0.022 -6.386 1.00 0.00 H new ATOM 756 N CYS A 51 8.667 -3.274 0.087 1.00 0.00 N ATOM 757 CA CYS A 51 8.580 -4.035 1.328 1.00 0.00 C ATOM 758 C CYS A 51 7.936 -3.203 2.433 1.00 0.00 C ATOM 759 O CYS A 51 7.506 -2.073 2.202 1.00 0.00 O ATOM 760 CB CYS A 51 9.972 -4.495 1.766 1.00 0.00 C ATOM 761 SG CYS A 51 11.056 -3.147 2.336 1.00 0.00 S ATOM 0 H CYS A 51 9.415 -2.580 0.070 1.00 0.00 H new ATOM 0 HA CYS A 51 7.955 -4.910 1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.866 -5.225 2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.453 -5.006 0.932 1.00 0.00 H new ATOM 766 N ASP A 52 7.873 -3.770 3.632 1.00 0.00 N ATOM 767 CA ASP A 52 7.283 -3.081 4.774 1.00 0.00 C ATOM 768 C ASP A 52 8.363 -2.435 5.636 1.00 0.00 C ATOM 769 O ASP A 52 8.900 -3.061 6.552 1.00 0.00 O ATOM 770 CB ASP A 52 6.458 -4.057 5.614 1.00 0.00 C ATOM 771 CG ASP A 52 5.227 -4.554 4.882 1.00 0.00 C ATOM 772 OD1 ASP A 52 5.374 -5.423 3.996 1.00 0.00 O ATOM 773 OD2 ASP A 52 4.117 -4.076 5.194 1.00 0.00 O ATOM 0 H ASP A 52 8.223 -4.705 3.839 1.00 0.00 H new ATOM 0 HA ASP A 52 6.628 -2.296 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.080 -4.908 5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.154 -3.568 6.540 1.00 0.00 H new ATOM 778 N THR A 53 8.679 -1.179 5.338 1.00 0.00 N ATOM 779 CA THR A 53 9.696 -0.448 6.084 1.00 0.00 C ATOM 780 C THR A 53 9.301 1.012 6.267 1.00 0.00 C ATOM 781 O THR A 53 9.156 1.754 5.295 1.00 0.00 O ATOM 782 CB THR A 53 11.064 -0.513 5.379 1.00 0.00 C ATOM 783 OG1 THR A 53 11.599 -1.839 5.468 1.00 0.00 O ATOM 784 CG2 THR A 53 12.040 0.475 6.000 1.00 0.00 C ATOM 0 H THR A 53 8.245 -0.646 4.584 1.00 0.00 H new ATOM 0 HA THR A 53 9.775 -0.925 7.061 1.00 0.00 H new ATOM 0 HB THR A 53 10.921 -0.249 4.331 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.485 -2.296 4.609 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.999 0.411 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.644 1.486 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.177 0.237 7.055 1.00 0.00 H new ATOM 792 N VAL A 54 9.127 1.421 7.520 1.00 0.00 N ATOM 793 CA VAL A 54 8.750 2.794 7.831 1.00 0.00 C ATOM 794 C VAL A 54 9.870 3.766 7.475 1.00 0.00 C ATOM 795 O VAL A 54 11.020 3.576 7.872 1.00 0.00 O ATOM 796 CB VAL A 54 8.400 2.956 9.322 1.00 0.00 C ATOM 797 CG1 VAL A 54 8.147 4.418 9.656 1.00 0.00 C ATOM 798 CG2 VAL A 54 7.193 2.102 9.682 1.00 0.00 C ATOM 0 H VAL A 54 9.241 0.820 8.336 1.00 0.00 H new ATOM 0 HA VAL A 54 7.869 3.024 7.231 1.00 0.00 H new ATOM 0 HB VAL A 54 9.248 2.614 9.915 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.901 4.512 10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.042 5.001 9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.316 4.790 9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.960 2.229 10.739 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.337 2.411 9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.416 1.054 9.483 1.00 0.00 H new ATOM 808 N ILE A 55 9.526 4.807 6.725 1.00 0.00 N ATOM 809 CA ILE A 55 10.502 5.809 6.316 1.00 0.00 C ATOM 810 C ILE A 55 10.133 7.187 6.855 1.00 0.00 C ATOM 811 O ILE A 55 9.629 8.037 6.123 1.00 0.00 O ATOM 812 CB ILE A 55 10.622 5.886 4.783 1.00 0.00 C ATOM 813 CG1 ILE A 55 11.011 4.521 4.211 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.641 6.943 4.384 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.313 3.984 4.762 1.00 0.00 C ATOM 0 H ILE A 55 8.579 4.979 6.388 1.00 0.00 H new ATOM 0 HA ILE A 55 11.462 5.503 6.732 1.00 0.00 H new ATOM 0 HB ILE A 55 9.653 6.169 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.215 3.807 4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.090 4.599 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.715 6.986 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.326 7.914 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.614 6.687 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.526 3.014 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.121 4.677 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.232 3.873 5.843 1.00 0.00 H new ATOM 827 N ALA A 56 10.391 7.401 8.142 1.00 0.00 N ATOM 828 CA ALA A 56 10.090 8.677 8.779 1.00 0.00 C ATOM 829 C ALA A 56 10.112 9.816 7.765 1.00 0.00 C ATOM 830 O ALA A 56 9.067 10.351 7.395 1.00 0.00 O ATOM 831 CB ALA A 56 11.076 8.951 9.904 1.00 0.00 C ATOM 0 H ALA A 56 10.808 6.707 8.763 1.00 0.00 H new ATOM 0 HA ALA A 56 9.085 8.617 9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.839 9.907 10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.009 8.157 10.648 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.088 8.985 9.501 1.00 0.00 H new ATOM 837 N ARG A 57 11.310 10.182 7.319 1.00 0.00 N ATOM 838 CA ARG A 57 11.468 11.259 6.349 1.00 0.00 C ATOM 839 C ARG A 57 11.628 10.701 4.938 1.00 0.00 C ATOM 840 O ARG A 57 12.297 9.688 4.732 1.00 0.00 O ATOM 841 CB ARG A 57 12.678 12.123 6.708 1.00 0.00 C ATOM 842 CG ARG A 57 13.990 11.357 6.725 1.00 0.00 C ATOM 843 CD ARG A 57 14.951 11.920 7.761 1.00 0.00 C ATOM 844 NE ARG A 57 15.453 13.238 7.381 1.00 0.00 N ATOM 845 CZ ARG A 57 15.886 14.139 8.256 1.00 0.00 C ATOM 846 NH1 ARG A 57 15.878 13.866 9.553 1.00 0.00 N ATOM 847 NH2 ARG A 57 16.328 15.317 7.833 1.00 0.00 N ATOM 0 H ARG A 57 12.185 9.748 7.614 1.00 0.00 H new ATOM 0 HA ARG A 57 10.569 11.875 6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.754 12.942 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.516 12.571 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.796 10.306 6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.451 11.401 5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.446 11.988 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 57 15.789 11.235 7.888 1.00 0.00 H new ATOM 0 HE ARG A 57 15.472 13.480 6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.539 12.962 9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 57 16.211 14.560 10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 57 16.335 15.531 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.660 16.008 8.505 1.00 0.00 H new ATOM 861 N LYS A 58 11.009 11.368 3.970 1.00 0.00 N ATOM 862 CA LYS A 58 11.082 10.940 2.578 1.00 0.00 C ATOM 863 C LYS A 58 12.533 10.829 2.119 1.00 0.00 C ATOM 864 O LYS A 58 12.944 9.805 1.573 1.00 0.00 O ATOM 865 CB LYS A 58 10.326 11.922 1.681 1.00 0.00 C ATOM 866 CG LYS A 58 10.189 11.451 0.243 1.00 0.00 C ATOM 867 CD LYS A 58 9.017 12.122 -0.454 1.00 0.00 C ATOM 868 CE LYS A 58 8.405 11.217 -1.512 1.00 0.00 C ATOM 869 NZ LYS A 58 7.514 10.186 -0.911 1.00 0.00 N ATOM 0 H LYS A 58 10.451 12.208 4.124 1.00 0.00 H new ATOM 0 HA LYS A 58 10.618 9.957 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.332 12.089 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.842 12.882 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.109 11.667 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.054 10.370 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.258 12.388 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.351 13.051 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.837 11.819 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.200 10.727 -2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.917 9.241 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.429 10.354 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.573 10.242 -1.350 1.00 0.00 H new ATOM 883 N SER A 59 13.303 11.888 2.345 1.00 0.00 N ATOM 884 CA SER A 59 14.707 11.909 1.952 1.00 0.00 C ATOM 885 C SER A 59 15.371 10.564 2.232 1.00 0.00 C ATOM 886 O SER A 59 16.261 10.134 1.498 1.00 0.00 O ATOM 887 CB SER A 59 15.450 13.021 2.696 1.00 0.00 C ATOM 888 OG SER A 59 15.507 12.755 4.086 1.00 0.00 O ATOM 0 H SER A 59 12.979 12.742 2.798 1.00 0.00 H new ATOM 0 HA SER A 59 14.755 12.102 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.461 13.116 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.950 13.974 2.525 1.00 0.00 H new ATOM 0 HG SER A 59 16.232 13.277 4.489 1.00 0.00 H new ATOM 894 N ASP A 60 14.930 9.905 3.298 1.00 0.00 N ATOM 895 CA ASP A 60 15.479 8.608 3.676 1.00 0.00 C ATOM 896 C ASP A 60 14.989 7.514 2.732 1.00 0.00 C ATOM 897 O ASP A 60 15.738 6.603 2.377 1.00 0.00 O ATOM 898 CB ASP A 60 15.093 8.266 5.116 1.00 0.00 C ATOM 899 CG ASP A 60 16.096 7.345 5.781 1.00 0.00 C ATOM 900 OD1 ASP A 60 16.820 6.633 5.054 1.00 0.00 O ATOM 901 OD2 ASP A 60 16.156 7.334 7.029 1.00 0.00 O ATOM 0 H ASP A 60 14.194 10.248 3.916 1.00 0.00 H new ATOM 0 HA ASP A 60 16.565 8.666 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.009 9.186 5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.110 7.794 5.123 1.00 0.00 H new ATOM 906 N LEU A 61 13.727 7.610 2.328 1.00 0.00 N ATOM 907 CA LEU A 61 13.135 6.629 1.426 1.00 0.00 C ATOM 908 C LEU A 61 14.150 6.163 0.387 1.00 0.00 C ATOM 909 O LEU A 61 14.339 4.965 0.182 1.00 0.00 O ATOM 910 CB LEU A 61 11.910 7.222 0.728 1.00 0.00 C ATOM 911 CG LEU A 61 11.297 6.375 -0.388 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.931 4.993 0.130 1.00 0.00 C ATOM 913 CD2 LEU A 61 10.076 7.068 -0.974 1.00 0.00 C ATOM 0 H LEU A 61 13.094 8.358 2.611 1.00 0.00 H new ATOM 0 HA LEU A 61 12.826 5.767 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.143 7.407 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.188 8.190 0.311 1.00 0.00 H new ATOM 0 HG LEU A 61 12.038 6.259 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.496 4.405 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.827 4.494 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.207 5.088 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.653 6.451 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.331 7.215 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.368 8.035 -1.384 1.00 0.00 H new ATOM 925 N GLY A 62 14.803 7.121 -0.266 1.00 0.00 N ATOM 926 CA GLY A 62 15.793 6.789 -1.274 1.00 0.00 C ATOM 927 C GLY A 62 16.873 5.867 -0.745 1.00 0.00 C ATOM 928 O GLY A 62 17.049 4.754 -1.241 1.00 0.00 O ATOM 0 H GLY A 62 14.664 8.120 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.299 6.315 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 62 16.252 7.706 -1.644 1.00 0.00 H new ATOM 932 N VAL A 63 17.602 6.331 0.266 1.00 0.00 N ATOM 933 CA VAL A 63 18.672 5.541 0.863 1.00 0.00 C ATOM 934 C VAL A 63 18.250 4.087 1.038 1.00 0.00 C ATOM 935 O VAL A 63 19.037 3.168 0.807 1.00 0.00 O ATOM 936 CB VAL A 63 19.094 6.110 2.231 1.00 0.00 C ATOM 937 CG1 VAL A 63 20.181 5.249 2.855 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.559 7.551 2.087 1.00 0.00 C ATOM 0 H VAL A 63 17.471 7.250 0.688 1.00 0.00 H new ATOM 0 HA VAL A 63 19.520 5.590 0.180 1.00 0.00 H new ATOM 0 HB VAL A 63 18.229 6.096 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 63 20.466 5.666 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.807 4.235 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 63 21.050 5.228 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.853 7.938 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 63 20.411 7.592 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.746 8.157 1.687 1.00 0.00 H new ATOM 948 N HIS A 64 17.001 3.884 1.446 1.00 0.00 N ATOM 949 CA HIS A 64 16.472 2.540 1.651 1.00 0.00 C ATOM 950 C HIS A 64 16.252 1.834 0.317 1.00 0.00 C ATOM 951 O HIS A 64 16.498 0.633 0.190 1.00 0.00 O ATOM 952 CB HIS A 64 15.160 2.599 2.433 1.00 0.00 C ATOM 953 CG HIS A 64 14.387 1.317 2.404 1.00 0.00 C ATOM 954 ND1 HIS A 64 14.634 0.270 3.266 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.366 0.916 1.610 1.00 0.00 C ATOM 956 CE1 HIS A 64 13.799 -0.720 3.003 1.00 0.00 C ATOM 957 NE2 HIS A 64 13.019 -0.353 2.003 1.00 0.00 N ATOM 0 H HIS A 64 16.337 4.633 1.641 1.00 0.00 H new ATOM 0 HA HIS A 64 17.203 1.972 2.226 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.376 2.860 3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.539 3.397 2.026 1.00 0.00 H new ATOM 0 HD1 HIS A 64 15.349 0.261 3.993 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.910 1.488 0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.761 -1.668 3.519 1.00 0.00 H new ATOM 965 N LEU A 65 15.788 2.585 -0.675 1.00 0.00 N ATOM 966 CA LEU A 65 15.534 2.030 -2.000 1.00 0.00 C ATOM 967 C LEU A 65 16.837 1.613 -2.675 1.00 0.00 C ATOM 968 O LEU A 65 16.875 0.636 -3.423 1.00 0.00 O ATOM 969 CB LEU A 65 14.800 3.052 -2.870 1.00 0.00 C ATOM 970 CG LEU A 65 13.277 3.079 -2.735 1.00 0.00 C ATOM 971 CD1 LEU A 65 12.695 4.263 -3.491 1.00 0.00 C ATOM 972 CD2 LEU A 65 12.674 1.775 -3.236 1.00 0.00 C ATOM 0 H LEU A 65 15.580 3.580 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 65 14.908 1.145 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.183 4.044 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.049 2.856 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 65 13.027 3.190 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.610 4.266 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.102 5.189 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.955 4.184 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.590 1.812 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.934 1.634 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.066 0.944 -2.650 1.00 0.00 H new ATOM 984 N ARG A 66 17.902 2.360 -2.404 1.00 0.00 N ATOM 985 CA ARG A 66 19.208 2.067 -2.985 1.00 0.00 C ATOM 986 C ARG A 66 19.988 1.094 -2.105 1.00 0.00 C ATOM 987 O ARG A 66 20.789 0.300 -2.597 1.00 0.00 O ATOM 988 CB ARG A 66 20.008 3.357 -3.171 1.00 0.00 C ATOM 989 CG ARG A 66 19.322 4.375 -4.067 1.00 0.00 C ATOM 990 CD ARG A 66 20.143 5.650 -4.192 1.00 0.00 C ATOM 991 NE ARG A 66 19.860 6.591 -3.112 1.00 0.00 N ATOM 992 CZ ARG A 66 20.098 7.895 -3.193 1.00 0.00 C ATOM 993 NH1 ARG A 66 20.619 8.410 -4.297 1.00 0.00 N ATOM 994 NH2 ARG A 66 19.813 8.687 -2.167 1.00 0.00 N ATOM 0 H ARG A 66 17.887 3.172 -1.787 1.00 0.00 H new ATOM 0 HA ARG A 66 19.049 1.603 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.187 3.807 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.983 3.112 -3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.165 3.944 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.338 4.613 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 66 21.204 5.400 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.932 6.124 -5.151 1.00 0.00 H new ATOM 0 HE ARG A 66 19.458 6.227 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.838 7.804 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.801 9.412 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.411 8.294 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.996 9.688 -2.230 1.00 0.00 H new ATOM 1008 N LYS A 67 19.748 1.162 -0.800 1.00 0.00 N ATOM 1009 CA LYS A 67 20.426 0.289 0.150 1.00 0.00 C ATOM 1010 C LYS A 67 19.859 -1.126 0.089 1.00 0.00 C ATOM 1011 O LYS A 67 20.552 -2.065 -0.303 1.00 0.00 O ATOM 1012 CB LYS A 67 20.292 0.842 1.570 1.00 0.00 C ATOM 1013 CG LYS A 67 21.214 2.015 1.856 1.00 0.00 C ATOM 1014 CD LYS A 67 22.635 1.553 2.129 1.00 0.00 C ATOM 1015 CE LYS A 67 22.834 1.197 3.594 1.00 0.00 C ATOM 1016 NZ LYS A 67 24.276 1.083 3.947 1.00 0.00 N ATOM 0 H LYS A 67 19.088 1.814 -0.376 1.00 0.00 H new ATOM 0 HA LYS A 67 21.481 0.251 -0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.260 1.153 1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.501 0.044 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.209 2.698 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.840 2.572 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 67 22.862 0.686 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 67 23.335 2.339 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.366 1.958 4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.332 0.254 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.369 0.839 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.717 0.340 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.751 1.990 3.765 1.00 0.00 H new ATOM 1030 N GLN A 68 18.596 -1.270 0.476 1.00 0.00 N ATOM 1031 CA GLN A 68 17.937 -2.570 0.464 1.00 0.00 C ATOM 1032 C GLN A 68 17.762 -3.078 -0.963 1.00 0.00 C ATOM 1033 O GLN A 68 18.079 -4.229 -1.267 1.00 0.00 O ATOM 1034 CB GLN A 68 16.576 -2.483 1.157 1.00 0.00 C ATOM 1035 CG GLN A 68 16.639 -2.736 2.655 1.00 0.00 C ATOM 1036 CD GLN A 68 16.973 -4.177 2.989 1.00 0.00 C ATOM 1037 OE1 GLN A 68 18.125 -4.598 2.888 1.00 0.00 O ATOM 1038 NE2 GLN A 68 15.964 -4.941 3.391 1.00 0.00 N ATOM 0 H GLN A 68 18.009 -0.502 0.802 1.00 0.00 H new ATOM 0 HA GLN A 68 18.568 -3.274 1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.151 -1.495 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.899 -3.207 0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.388 -2.081 3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.681 -2.475 3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.024 -4.550 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.129 -5.919 3.631 1.00 0.00 H new ATOM 1047 N HIS A 69 17.255 -2.214 -1.836 1.00 0.00 N ATOM 1048 CA HIS A 69 17.037 -2.575 -3.232 1.00 0.00 C ATOM 1049 C HIS A 69 18.056 -1.888 -4.136 1.00 0.00 C ATOM 1050 O HIS A 69 18.906 -1.131 -3.667 1.00 0.00 O ATOM 1051 CB HIS A 69 15.620 -2.199 -3.664 1.00 0.00 C ATOM 1052 CG HIS A 69 14.562 -2.645 -2.701 1.00 0.00 C ATOM 1053 ND1 HIS A 69 14.010 -3.908 -2.722 1.00 0.00 N ATOM 1054 CD2 HIS A 69 13.958 -1.988 -1.684 1.00 0.00 C ATOM 1055 CE1 HIS A 69 13.110 -4.008 -1.760 1.00 0.00 C ATOM 1056 NE2 HIS A 69 13.059 -2.857 -1.115 1.00 0.00 N ATOM 0 H HIS A 69 16.987 -1.258 -1.601 1.00 0.00 H new ATOM 0 HA HIS A 69 17.162 -3.654 -3.326 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.560 -1.117 -3.782 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.418 -2.638 -4.641 1.00 0.00 H new ATOM 0 HD1 HIS A 69 14.258 -4.649 -3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.147 -0.970 -1.377 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.517 -4.883 -1.539 1.00 0.00 H new ATOM 1064 N SER A 70 17.964 -2.156 -5.435 1.00 0.00 N ATOM 1065 CA SER A 70 18.881 -1.567 -6.404 1.00 0.00 C ATOM 1066 C SER A 70 18.183 -0.487 -7.224 1.00 0.00 C ATOM 1067 O SER A 70 17.524 -0.778 -8.223 1.00 0.00 O ATOM 1068 CB SER A 70 19.439 -2.648 -7.332 1.00 0.00 C ATOM 1069 OG SER A 70 20.168 -3.620 -6.603 1.00 0.00 O ATOM 0 H SER A 70 17.264 -2.777 -5.840 1.00 0.00 H new ATOM 0 HA SER A 70 19.704 -1.108 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.621 -3.129 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 70 20.085 -2.190 -8.081 1.00 0.00 H new ATOM 0 HG SER A 70 20.512 -4.300 -7.219 1.00 0.00 H new ATOM 1075 N TYR A 71 18.332 0.762 -6.796 1.00 0.00 N ATOM 1076 CA TYR A 71 17.715 1.887 -7.488 1.00 0.00 C ATOM 1077 C TYR A 71 18.710 3.029 -7.667 1.00 0.00 C ATOM 1078 O TYR A 71 18.355 4.201 -7.550 1.00 0.00 O ATOM 1079 CB TYR A 71 16.491 2.379 -6.715 1.00 0.00 C ATOM 1080 CG TYR A 71 15.202 1.704 -7.127 1.00 0.00 C ATOM 1081 CD1 TYR A 71 14.698 1.854 -8.414 1.00 0.00 C ATOM 1082 CD2 TYR A 71 14.488 0.919 -6.231 1.00 0.00 C ATOM 1083 CE1 TYR A 71 13.521 1.240 -8.796 1.00 0.00 C ATOM 1084 CE2 TYR A 71 13.310 0.300 -6.605 1.00 0.00 C ATOM 1085 CZ TYR A 71 12.831 0.464 -7.888 1.00 0.00 C ATOM 1086 OH TYR A 71 11.658 -0.150 -8.263 1.00 0.00 O ATOM 0 H TYR A 71 18.875 1.021 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 71 17.401 1.545 -8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 71 16.654 2.213 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 71 16.390 3.455 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR A 71 15.236 2.461 -9.127 1.00 0.00 H new ATOM 0 HD2 TYR A 71 14.859 0.790 -5.225 1.00 0.00 H new ATOM 0 HE1 TYR A 71 13.143 1.367 -9.800 1.00 0.00 H new ATOM 0 HE2 TYR A 71 12.768 -0.309 -5.897 1.00 0.00 H new ATOM 0 HH TYR A 71 11.425 -0.839 -7.606 1.00 0.00 H new ATOM 1096 N SER A 72 19.960 2.677 -7.953 1.00 0.00 N ATOM 1097 CA SER A 72 21.009 3.671 -8.146 1.00 0.00 C ATOM 1098 C SER A 72 21.611 3.561 -9.543 1.00 0.00 C ATOM 1099 O SER A 72 22.256 4.490 -10.028 1.00 0.00 O ATOM 1100 CB SER A 72 22.104 3.498 -7.091 1.00 0.00 C ATOM 1101 OG SER A 72 22.811 2.285 -7.284 1.00 0.00 O ATOM 0 H SER A 72 20.270 1.711 -8.056 1.00 0.00 H new ATOM 0 HA SER A 72 20.563 4.660 -8.039 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.797 4.338 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.660 3.509 -6.096 1.00 0.00 H new ATOM 0 HG SER A 72 23.506 2.199 -6.599 1.00 0.00 H new ATOM 1107 N GLY A 73 21.395 2.418 -10.186 1.00 0.00 N ATOM 1108 CA GLY A 73 21.922 2.206 -11.521 1.00 0.00 C ATOM 1109 C GLY A 73 20.828 2.022 -12.554 1.00 0.00 C ATOM 1110 O GLY A 73 20.071 1.053 -12.522 1.00 0.00 O ATOM 0 H GLY A 73 20.864 1.634 -9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 73 22.544 3.056 -11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 73 22.567 1.327 -11.518 1.00 0.00 H new ATOM 1114 N PRO A 74 20.734 2.972 -13.498 1.00 0.00 N ATOM 1115 CA PRO A 74 19.727 2.933 -14.562 1.00 0.00 C ATOM 1116 C PRO A 74 19.991 1.820 -15.570 1.00 0.00 C ATOM 1117 O PRO A 74 19.255 1.663 -16.544 1.00 0.00 O ATOM 1118 CB PRO A 74 19.864 4.303 -15.230 1.00 0.00 C ATOM 1119 CG PRO A 74 21.265 4.724 -14.948 1.00 0.00 C ATOM 1120 CD PRO A 74 21.604 4.156 -13.598 1.00 0.00 C ATOM 0 HA PRO A 74 18.729 2.732 -14.172 1.00 0.00 H new ATOM 0 HB2 PRO A 74 19.678 4.241 -16.302 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.147 5.016 -14.822 1.00 0.00 H new ATOM 0 HG2 PRO A 74 21.946 4.349 -15.712 1.00 0.00 H new ATOM 0 HG3 PRO A 74 21.354 5.810 -14.948 1.00 0.00 H new ATOM 0 HD2 PRO A 74 22.658 3.887 -13.528 1.00 0.00 H new ATOM 0 HD3 PRO A 74 21.404 4.870 -12.800 1.00 0.00 H new ATOM 1128 N SER A 75 21.047 1.048 -15.329 1.00 0.00 N ATOM 1129 CA SER A 75 21.410 -0.049 -16.219 1.00 0.00 C ATOM 1130 C SER A 75 21.131 0.316 -17.674 1.00 0.00 C ATOM 1131 O SER A 75 20.629 -0.502 -18.445 1.00 0.00 O ATOM 1132 CB SER A 75 20.640 -1.316 -15.842 1.00 0.00 C ATOM 1133 OG SER A 75 19.257 -1.171 -16.115 1.00 0.00 O ATOM 0 H SER A 75 21.665 1.162 -14.526 1.00 0.00 H new ATOM 0 HA SER A 75 22.478 -0.235 -16.108 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.037 -2.166 -16.398 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.784 -1.532 -14.783 1.00 0.00 H new ATOM 0 HG SER A 75 18.787 -1.994 -15.867 1.00 0.00 H new ATOM 1139 N SER A 76 21.459 1.550 -18.041 1.00 0.00 N ATOM 1140 CA SER A 76 21.241 2.026 -19.402 1.00 0.00 C ATOM 1141 C SER A 76 22.565 2.164 -20.148 1.00 0.00 C ATOM 1142 O SER A 76 23.578 2.554 -19.570 1.00 0.00 O ATOM 1143 CB SER A 76 20.510 3.370 -19.384 1.00 0.00 C ATOM 1144 OG SER A 76 20.231 3.817 -20.700 1.00 0.00 O ATOM 0 H SER A 76 21.877 2.239 -17.415 1.00 0.00 H new ATOM 0 HA SER A 76 20.625 1.293 -19.923 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.580 3.274 -18.824 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.118 4.111 -18.866 1.00 0.00 H new ATOM 0 HG SER A 76 19.762 4.677 -20.661 1.00 0.00 H new ATOM 1150 N GLY A 77 22.546 1.841 -21.438 1.00 0.00 N ATOM 1151 CA GLY A 77 23.750 1.935 -22.243 1.00 0.00 C ATOM 1152 C GLY A 77 23.954 0.720 -23.126 1.00 0.00 C ATOM 1153 O GLY A 77 23.717 0.807 -24.330 1.00 0.00 O ATOM 0 H GLY A 77 21.719 1.516 -21.939 1.00 0.00 H new ATOM 0 HA2 GLY A 77 23.698 2.828 -22.866 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.613 2.053 -21.588 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.834 8.641 -3.077 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 11.874 -1.822 0.602 1.00 0.00 ZN