USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 523 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HE2 : A 58 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 24 LYS NZ :NH3+ -126:sc= -0.0191 (180deg=-2.57!) USER MOD Set 1.2: A 46 ASN : amide:sc= -4.03 K(o=-4,f=-8.6!) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0458 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 9:sc= 0.649 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 39:sc= 0.79 USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= 0.286 (180deg=-0.49) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.537 K(o=0.54,f=-2.5!) USER MOD Single : A 30 MET CE :methyl -167:sc= -1.12 (180deg=-1.31) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= -0.0245 (180deg=-0.291) USER MOD Single : A 38 THR OG1 : rot -31:sc= 1 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= -0.0113 (180deg=-0.136) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.205 F(o=-1.3,f=-0.2) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -88:sc= -0.476 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.965 -40.778 -20.650 1.00 0.00 N ATOM 2 CA GLY A 1 45.845 -39.857 -20.587 1.00 0.00 C ATOM 3 C GLY A 1 46.283 -38.407 -20.623 1.00 0.00 C ATOM 4 O GLY A 1 47.421 -38.087 -20.278 1.00 0.00 O ATOM 0 H1 GLY A 1 47.056 -41.149 -21.617 1.00 0.00 H new ATOM 0 H2 GLY A 1 47.839 -40.280 -20.387 1.00 0.00 H new ATOM 0 H3 GLY A 1 46.804 -41.566 -19.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 45.172 -40.051 -21.422 1.00 0.00 H new ATOM 0 HA3 GLY A 1 45.280 -40.040 -19.673 1.00 0.00 H new ATOM 8 N SER A 2 45.380 -37.527 -21.042 1.00 0.00 N ATOM 9 CA SER A 2 45.681 -36.103 -21.127 1.00 0.00 C ATOM 10 C SER A 2 44.410 -35.270 -20.998 1.00 0.00 C ATOM 11 O SER A 2 43.304 -35.808 -20.953 1.00 0.00 O ATOM 12 CB SER A 2 46.380 -35.786 -22.450 1.00 0.00 C ATOM 13 OG SER A 2 45.574 -36.157 -23.555 1.00 0.00 O ATOM 0 H SER A 2 44.433 -37.775 -21.328 1.00 0.00 H new ATOM 0 HA SER A 2 46.347 -35.848 -20.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 46.603 -34.720 -22.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 47.332 -36.314 -22.497 1.00 0.00 H new ATOM 0 HG SER A 2 46.043 -35.942 -24.388 1.00 0.00 H new ATOM 19 N SER A 3 44.576 -33.952 -20.941 1.00 0.00 N ATOM 20 CA SER A 3 43.443 -33.043 -20.813 1.00 0.00 C ATOM 21 C SER A 3 43.872 -31.601 -21.067 1.00 0.00 C ATOM 22 O SER A 3 45.059 -31.280 -21.031 1.00 0.00 O ATOM 23 CB SER A 3 42.819 -33.165 -19.422 1.00 0.00 C ATOM 24 OG SER A 3 43.708 -32.697 -18.422 1.00 0.00 O ATOM 0 H SER A 3 45.485 -33.490 -20.981 1.00 0.00 H new ATOM 0 HA SER A 3 42.700 -33.319 -21.561 1.00 0.00 H new ATOM 0 HB2 SER A 3 41.891 -32.594 -19.385 1.00 0.00 H new ATOM 0 HB3 SER A 3 42.561 -34.206 -19.226 1.00 0.00 H new ATOM 0 HG SER A 3 43.285 -32.784 -17.542 1.00 0.00 H new ATOM 30 N GLY A 4 42.895 -30.737 -21.324 1.00 0.00 N ATOM 31 CA GLY A 4 43.191 -29.339 -21.581 1.00 0.00 C ATOM 32 C GLY A 4 42.147 -28.409 -20.994 1.00 0.00 C ATOM 33 O GLY A 4 40.992 -28.794 -20.817 1.00 0.00 O ATOM 0 H GLY A 4 41.905 -30.979 -21.359 1.00 0.00 H new ATOM 0 HA2 GLY A 4 44.167 -29.095 -21.163 1.00 0.00 H new ATOM 0 HA3 GLY A 4 43.255 -29.176 -22.657 1.00 0.00 H new ATOM 37 N SER A 5 42.555 -27.181 -20.691 1.00 0.00 N ATOM 38 CA SER A 5 41.648 -26.195 -20.115 1.00 0.00 C ATOM 39 C SER A 5 42.297 -24.814 -20.082 1.00 0.00 C ATOM 40 O SER A 5 43.344 -24.623 -19.463 1.00 0.00 O ATOM 41 CB SER A 5 41.238 -26.612 -18.702 1.00 0.00 C ATOM 42 OG SER A 5 40.141 -25.842 -18.241 1.00 0.00 O ATOM 0 H SER A 5 43.507 -26.845 -20.835 1.00 0.00 H new ATOM 0 HA SER A 5 40.759 -26.145 -20.743 1.00 0.00 H new ATOM 0 HB2 SER A 5 40.973 -27.669 -18.694 1.00 0.00 H new ATOM 0 HB3 SER A 5 42.083 -26.490 -18.024 1.00 0.00 H new ATOM 0 HG SER A 5 39.897 -26.129 -17.336 1.00 0.00 H new ATOM 48 N SER A 6 41.668 -23.855 -20.753 1.00 0.00 N ATOM 49 CA SER A 6 42.185 -22.493 -20.805 1.00 0.00 C ATOM 50 C SER A 6 41.105 -21.519 -21.268 1.00 0.00 C ATOM 51 O SER A 6 40.257 -21.860 -22.091 1.00 0.00 O ATOM 52 CB SER A 6 43.391 -22.417 -21.743 1.00 0.00 C ATOM 53 OG SER A 6 43.025 -22.741 -23.073 1.00 0.00 O ATOM 0 H SER A 6 40.799 -23.996 -21.268 1.00 0.00 H new ATOM 0 HA SER A 6 42.498 -22.212 -19.799 1.00 0.00 H new ATOM 0 HB2 SER A 6 43.816 -21.413 -21.714 1.00 0.00 H new ATOM 0 HB3 SER A 6 44.167 -23.101 -21.399 1.00 0.00 H new ATOM 0 HG SER A 6 43.813 -22.683 -23.652 1.00 0.00 H new ATOM 59 N GLY A 7 41.144 -20.303 -20.731 1.00 0.00 N ATOM 60 CA GLY A 7 40.164 -19.298 -21.100 1.00 0.00 C ATOM 61 C GLY A 7 40.428 -18.707 -22.471 1.00 0.00 C ATOM 62 O GLY A 7 40.348 -19.391 -23.491 1.00 0.00 O ATOM 0 H GLY A 7 41.836 -19.996 -20.048 1.00 0.00 H new ATOM 0 HA2 GLY A 7 39.169 -19.742 -21.085 1.00 0.00 H new ATOM 0 HA3 GLY A 7 40.168 -18.501 -20.357 1.00 0.00 H new ATOM 66 N PRO A 8 40.750 -17.405 -22.506 1.00 0.00 N ATOM 67 CA PRO A 8 40.847 -16.581 -21.298 1.00 0.00 C ATOM 68 C PRO A 8 39.487 -16.328 -20.658 1.00 0.00 C ATOM 69 O PRO A 8 38.458 -16.776 -21.164 1.00 0.00 O ATOM 70 CB PRO A 8 41.448 -15.270 -21.811 1.00 0.00 C ATOM 71 CG PRO A 8 41.062 -15.213 -23.249 1.00 0.00 C ATOM 72 CD PRO A 8 41.042 -16.638 -23.729 1.00 0.00 C ATOM 0 HA PRO A 8 41.441 -17.064 -20.522 1.00 0.00 H new ATOM 0 HB2 PRO A 8 41.057 -14.414 -21.262 1.00 0.00 H new ATOM 0 HB3 PRO A 8 42.531 -15.258 -21.691 1.00 0.00 H new ATOM 0 HG2 PRO A 8 40.085 -14.746 -23.373 1.00 0.00 H new ATOM 0 HG3 PRO A 8 41.774 -14.618 -23.821 1.00 0.00 H new ATOM 0 HD2 PRO A 8 40.280 -16.794 -24.493 1.00 0.00 H new ATOM 0 HD3 PRO A 8 41.997 -16.928 -24.167 1.00 0.00 H new ATOM 80 N SER A 9 39.488 -15.607 -19.541 1.00 0.00 N ATOM 81 CA SER A 9 38.254 -15.297 -18.829 1.00 0.00 C ATOM 82 C SER A 9 38.397 -14.006 -18.030 1.00 0.00 C ATOM 83 O SER A 9 39.100 -13.962 -17.020 1.00 0.00 O ATOM 84 CB SER A 9 37.876 -16.449 -17.896 1.00 0.00 C ATOM 85 OG SER A 9 36.474 -16.506 -17.698 1.00 0.00 O ATOM 0 H SER A 9 40.330 -15.227 -19.110 1.00 0.00 H new ATOM 0 HA SER A 9 37.463 -15.161 -19.566 1.00 0.00 H new ATOM 0 HB2 SER A 9 38.226 -17.392 -18.317 1.00 0.00 H new ATOM 0 HB3 SER A 9 38.377 -16.323 -16.936 1.00 0.00 H new ATOM 0 HG SER A 9 36.258 -17.251 -17.100 1.00 0.00 H new ATOM 91 N SER A 10 37.724 -12.955 -18.489 1.00 0.00 N ATOM 92 CA SER A 10 37.779 -11.661 -17.820 1.00 0.00 C ATOM 93 C SER A 10 36.720 -10.715 -18.378 1.00 0.00 C ATOM 94 O SER A 10 36.600 -10.547 -19.592 1.00 0.00 O ATOM 95 CB SER A 10 39.168 -11.039 -17.978 1.00 0.00 C ATOM 96 OG SER A 10 39.154 -9.665 -17.630 1.00 0.00 O ATOM 0 H SER A 10 37.135 -12.975 -19.321 1.00 0.00 H new ATOM 0 HA SER A 10 37.578 -11.820 -16.760 1.00 0.00 H new ATOM 0 HB2 SER A 10 39.881 -11.570 -17.348 1.00 0.00 H new ATOM 0 HB3 SER A 10 39.506 -11.153 -19.008 1.00 0.00 H new ATOM 0 HG SER A 10 40.053 -9.291 -17.738 1.00 0.00 H new ATOM 102 N SER A 11 35.953 -10.100 -17.483 1.00 0.00 N ATOM 103 CA SER A 11 34.901 -9.175 -17.886 1.00 0.00 C ATOM 104 C SER A 11 34.577 -8.198 -16.759 1.00 0.00 C ATOM 105 O SER A 11 34.553 -8.573 -15.587 1.00 0.00 O ATOM 106 CB SER A 11 33.641 -9.945 -18.287 1.00 0.00 C ATOM 107 OG SER A 11 33.850 -10.677 -19.482 1.00 0.00 O ATOM 0 H SER A 11 36.041 -10.226 -16.475 1.00 0.00 H new ATOM 0 HA SER A 11 35.259 -8.607 -18.745 1.00 0.00 H new ATOM 0 HB2 SER A 11 33.356 -10.626 -17.485 1.00 0.00 H new ATOM 0 HB3 SER A 11 32.813 -9.249 -18.423 1.00 0.00 H new ATOM 0 HG SER A 11 34.799 -10.644 -19.724 1.00 0.00 H new ATOM 113 N GLN A 12 34.328 -6.945 -17.125 1.00 0.00 N ATOM 114 CA GLN A 12 34.006 -5.914 -16.145 1.00 0.00 C ATOM 115 C GLN A 12 33.137 -4.825 -16.766 1.00 0.00 C ATOM 116 O GLN A 12 33.620 -3.996 -17.538 1.00 0.00 O ATOM 117 CB GLN A 12 35.288 -5.299 -15.580 1.00 0.00 C ATOM 118 CG GLN A 12 35.041 -4.295 -14.465 1.00 0.00 C ATOM 119 CD GLN A 12 36.324 -3.691 -13.930 1.00 0.00 C ATOM 120 OE1 GLN A 12 36.670 -2.554 -14.251 1.00 0.00 O ATOM 121 NE2 GLN A 12 37.039 -4.451 -13.108 1.00 0.00 N ATOM 0 H GLN A 12 34.343 -6.619 -18.091 1.00 0.00 H new ATOM 0 HA GLN A 12 33.447 -6.381 -15.334 1.00 0.00 H new ATOM 0 HB2 GLN A 12 35.929 -6.097 -15.204 1.00 0.00 H new ATOM 0 HB3 GLN A 12 35.831 -4.807 -16.387 1.00 0.00 H new ATOM 0 HG2 GLN A 12 34.395 -3.498 -14.835 1.00 0.00 H new ATOM 0 HG3 GLN A 12 34.508 -4.786 -13.651 1.00 0.00 H new ATOM 0 HE21 GLN A 12 36.715 -5.388 -12.868 1.00 0.00 H new ATOM 0 HE22 GLN A 12 37.912 -4.098 -12.716 1.00 0.00 H new ATOM 130 N SER A 13 31.852 -4.834 -16.425 1.00 0.00 N ATOM 131 CA SER A 13 30.914 -3.849 -16.952 1.00 0.00 C ATOM 132 C SER A 13 29.637 -3.815 -16.119 1.00 0.00 C ATOM 133 O SER A 13 29.170 -4.846 -15.637 1.00 0.00 O ATOM 134 CB SER A 13 30.577 -4.166 -18.411 1.00 0.00 C ATOM 135 OG SER A 13 31.478 -3.521 -19.294 1.00 0.00 O ATOM 0 H SER A 13 31.437 -5.512 -15.786 1.00 0.00 H new ATOM 0 HA SER A 13 31.387 -2.868 -16.900 1.00 0.00 H new ATOM 0 HB2 SER A 13 30.615 -5.244 -18.571 1.00 0.00 H new ATOM 0 HB3 SER A 13 29.558 -3.847 -18.630 1.00 0.00 H new ATOM 0 HG SER A 13 32.382 -3.549 -18.917 1.00 0.00 H new ATOM 141 N GLU A 14 29.078 -2.620 -15.954 1.00 0.00 N ATOM 142 CA GLU A 14 27.855 -2.450 -15.178 1.00 0.00 C ATOM 143 C GLU A 14 27.357 -1.010 -15.255 1.00 0.00 C ATOM 144 O GLU A 14 28.123 -0.067 -15.063 1.00 0.00 O ATOM 145 CB GLU A 14 28.093 -2.841 -13.718 1.00 0.00 C ATOM 146 CG GLU A 14 26.812 -3.027 -12.921 1.00 0.00 C ATOM 147 CD GLU A 14 25.841 -3.979 -13.592 1.00 0.00 C ATOM 148 OE1 GLU A 14 26.194 -5.166 -13.758 1.00 0.00 O ATOM 149 OE2 GLU A 14 24.729 -3.539 -13.950 1.00 0.00 O ATOM 0 H GLU A 14 29.452 -1.756 -16.347 1.00 0.00 H new ATOM 0 HA GLU A 14 27.092 -3.103 -15.602 1.00 0.00 H new ATOM 0 HB2 GLU A 14 28.668 -3.767 -13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 14 28.701 -2.073 -13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.058 -3.404 -11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 14 26.330 -2.059 -12.784 1.00 0.00 H new ATOM 156 N GLU A 15 26.068 -0.850 -15.540 1.00 0.00 N ATOM 157 CA GLU A 15 25.468 0.475 -15.644 1.00 0.00 C ATOM 158 C GLU A 15 23.979 0.426 -15.313 1.00 0.00 C ATOM 159 O GLU A 15 23.224 -0.343 -15.909 1.00 0.00 O ATOM 160 CB GLU A 15 25.670 1.041 -17.051 1.00 0.00 C ATOM 161 CG GLU A 15 25.055 0.186 -18.146 1.00 0.00 C ATOM 162 CD GLU A 15 25.516 0.592 -19.532 1.00 0.00 C ATOM 163 OE1 GLU A 15 26.631 0.193 -19.927 1.00 0.00 O ATOM 164 OE2 GLU A 15 24.761 1.309 -20.222 1.00 0.00 O ATOM 0 H GLU A 15 25.420 -1.621 -15.703 1.00 0.00 H new ATOM 0 HA GLU A 15 25.961 1.127 -14.923 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.238 2.041 -17.097 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.738 1.146 -17.241 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.312 -0.859 -17.973 1.00 0.00 H new ATOM 0 HG3 GLU A 15 23.969 0.260 -18.092 1.00 0.00 H new ATOM 171 N LYS A 16 23.564 1.251 -14.358 1.00 0.00 N ATOM 172 CA LYS A 16 22.166 1.304 -13.947 1.00 0.00 C ATOM 173 C LYS A 16 21.385 2.298 -14.799 1.00 0.00 C ATOM 174 O LYS A 16 21.909 3.341 -15.190 1.00 0.00 O ATOM 175 CB LYS A 16 22.062 1.690 -12.470 1.00 0.00 C ATOM 176 CG LYS A 16 20.638 1.938 -12.004 1.00 0.00 C ATOM 177 CD LYS A 16 20.585 2.983 -10.903 1.00 0.00 C ATOM 178 CE LYS A 16 19.164 3.469 -10.663 1.00 0.00 C ATOM 179 NZ LYS A 16 18.689 4.357 -11.761 1.00 0.00 N ATOM 0 H LYS A 16 24.176 1.892 -13.854 1.00 0.00 H new ATOM 0 HA LYS A 16 21.734 0.313 -14.089 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.500 0.897 -11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.654 2.588 -12.296 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.030 2.266 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.205 1.005 -11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.987 2.563 -9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.219 3.828 -11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.497 2.612 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.119 4.007 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.072 5.096 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.506 4.800 -12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.156 3.796 -12.456 1.00 0.00 H new ATOM 193 N ALA A 17 20.129 1.969 -15.084 1.00 0.00 N ATOM 194 CA ALA A 17 19.275 2.836 -15.887 1.00 0.00 C ATOM 195 C ALA A 17 18.215 3.513 -15.025 1.00 0.00 C ATOM 196 O ALA A 17 17.600 2.895 -14.155 1.00 0.00 O ATOM 197 CB ALA A 17 18.620 2.040 -17.006 1.00 0.00 C ATOM 0 H ALA A 17 19.680 1.108 -14.771 1.00 0.00 H new ATOM 0 HA ALA A 17 19.899 3.614 -16.327 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.985 2.699 -17.598 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.391 1.609 -17.645 1.00 0.00 H new ATOM 0 HB3 ALA A 17 18.014 1.241 -16.578 1.00 0.00 H new ATOM 203 N PRO A 18 17.994 4.813 -15.270 1.00 0.00 N ATOM 204 CA PRO A 18 17.007 5.602 -14.527 1.00 0.00 C ATOM 205 C PRO A 18 15.574 5.196 -14.855 1.00 0.00 C ATOM 206 O PRO A 18 15.331 4.469 -15.818 1.00 0.00 O ATOM 207 CB PRO A 18 17.276 7.035 -14.992 1.00 0.00 C ATOM 208 CG PRO A 18 17.893 6.887 -16.340 1.00 0.00 C ATOM 209 CD PRO A 18 18.690 5.612 -16.292 1.00 0.00 C ATOM 0 HA PRO A 18 17.102 5.464 -13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 18 16.354 7.615 -15.040 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.944 7.555 -14.306 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.129 6.841 -17.116 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.532 7.739 -16.572 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.700 5.108 -17.258 1.00 0.00 H new ATOM 0 HD3 PRO A 18 19.729 5.797 -16.019 1.00 0.00 H new ATOM 217 N GLU A 19 14.630 5.670 -14.048 1.00 0.00 N ATOM 218 CA GLU A 19 13.221 5.355 -14.253 1.00 0.00 C ATOM 219 C GLU A 19 12.330 6.462 -13.700 1.00 0.00 C ATOM 220 O GLU A 19 12.584 6.999 -12.620 1.00 0.00 O ATOM 221 CB GLU A 19 12.871 4.022 -13.588 1.00 0.00 C ATOM 222 CG GLU A 19 13.051 2.820 -14.500 1.00 0.00 C ATOM 223 CD GLU A 19 11.942 2.696 -15.526 1.00 0.00 C ATOM 224 OE1 GLU A 19 10.767 2.585 -15.121 1.00 0.00 O ATOM 225 OE2 GLU A 19 12.251 2.710 -16.737 1.00 0.00 O ATOM 0 H GLU A 19 14.815 6.273 -13.247 1.00 0.00 H new ATOM 0 HA GLU A 19 13.046 5.274 -15.326 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.494 3.892 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.836 4.057 -13.247 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.009 2.898 -15.014 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.086 1.913 -13.897 1.00 0.00 H new ATOM 232 N LEU A 20 11.284 6.800 -14.446 1.00 0.00 N ATOM 233 CA LEU A 20 10.354 7.845 -14.031 1.00 0.00 C ATOM 234 C LEU A 20 10.036 7.731 -12.544 1.00 0.00 C ATOM 235 O LEU A 20 10.116 6.657 -11.947 1.00 0.00 O ATOM 236 CB LEU A 20 9.063 7.759 -14.848 1.00 0.00 C ATOM 237 CG LEU A 20 9.143 8.274 -16.286 1.00 0.00 C ATOM 238 CD1 LEU A 20 9.565 9.735 -16.307 1.00 0.00 C ATOM 239 CD2 LEU A 20 10.109 7.426 -17.102 1.00 0.00 C ATOM 0 H LEU A 20 11.058 6.366 -15.341 1.00 0.00 H new ATOM 0 HA LEU A 20 10.827 8.811 -14.210 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.742 6.718 -14.874 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.288 8.319 -14.325 1.00 0.00 H new ATOM 0 HG LEU A 20 8.153 8.197 -16.736 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.617 10.084 -17.338 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.837 10.332 -15.758 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.545 9.838 -15.840 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.154 7.806 -18.123 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.101 7.472 -16.654 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.764 6.392 -17.115 1.00 0.00 H new ATOM 251 N PRO A 21 9.664 8.864 -11.929 1.00 0.00 N ATOM 252 CA PRO A 21 9.324 8.917 -10.505 1.00 0.00 C ATOM 253 C PRO A 21 8.012 8.204 -10.195 1.00 0.00 C ATOM 254 O PRO A 21 6.934 8.685 -10.544 1.00 0.00 O ATOM 255 CB PRO A 21 9.195 10.417 -10.226 1.00 0.00 C ATOM 256 CG PRO A 21 8.848 11.018 -11.544 1.00 0.00 C ATOM 257 CD PRO A 21 9.547 10.181 -12.579 1.00 0.00 C ATOM 0 HA PRO A 21 10.072 8.417 -9.889 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.422 10.617 -9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.126 10.829 -9.836 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.770 11.014 -11.703 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.174 12.057 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.973 10.123 -13.504 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.524 10.591 -12.835 1.00 0.00 H new ATOM 265 N LYS A 22 8.111 7.054 -9.537 1.00 0.00 N ATOM 266 CA LYS A 22 6.932 6.273 -9.178 1.00 0.00 C ATOM 267 C LYS A 22 6.705 6.295 -7.670 1.00 0.00 C ATOM 268 O LYS A 22 7.644 6.248 -6.875 1.00 0.00 O ATOM 269 CB LYS A 22 7.085 4.829 -9.661 1.00 0.00 C ATOM 270 CG LYS A 22 7.117 4.694 -11.174 1.00 0.00 C ATOM 271 CD LYS A 22 5.720 4.528 -11.748 1.00 0.00 C ATOM 272 CE LYS A 22 5.204 3.110 -11.557 1.00 0.00 C ATOM 273 NZ LYS A 22 3.773 2.983 -11.949 1.00 0.00 N ATOM 0 H LYS A 22 8.996 6.642 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 22 6.066 6.722 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.003 4.412 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.260 4.234 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.588 5.576 -11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.730 3.836 -11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.041 5.231 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.730 4.773 -12.810 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.806 2.422 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.322 2.818 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.459 2.002 -11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.195 3.621 -11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.664 3.237 -12.952 1.00 0.00 H new ATOM 287 N PRO A 23 5.428 6.366 -7.265 1.00 0.00 N ATOM 288 CA PRO A 23 5.047 6.393 -5.849 1.00 0.00 C ATOM 289 C PRO A 23 5.295 5.057 -5.157 1.00 0.00 C ATOM 290 O PRO A 23 5.285 4.972 -3.928 1.00 0.00 O ATOM 291 CB PRO A 23 3.549 6.704 -5.891 1.00 0.00 C ATOM 292 CG PRO A 23 3.098 6.215 -7.224 1.00 0.00 C ATOM 293 CD PRO A 23 4.258 6.425 -8.157 1.00 0.00 C ATOM 0 HA PRO A 23 5.631 7.119 -5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.017 6.200 -5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.363 7.772 -5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.819 5.162 -7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.220 6.764 -7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.300 5.654 -8.926 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.192 7.384 -8.671 1.00 0.00 H new ATOM 301 N LYS A 24 5.518 4.016 -5.952 1.00 0.00 N ATOM 302 CA LYS A 24 5.771 2.684 -5.416 1.00 0.00 C ATOM 303 C LYS A 24 6.830 1.958 -6.239 1.00 0.00 C ATOM 304 O LYS A 24 6.588 1.581 -7.386 1.00 0.00 O ATOM 305 CB LYS A 24 4.477 1.867 -5.395 1.00 0.00 C ATOM 306 CG LYS A 24 3.431 2.409 -4.436 1.00 0.00 C ATOM 307 CD LYS A 24 3.775 2.081 -2.992 1.00 0.00 C ATOM 308 CE LYS A 24 3.111 3.051 -2.027 1.00 0.00 C ATOM 309 NZ LYS A 24 1.654 2.778 -1.882 1.00 0.00 N ATOM 0 H LYS A 24 5.529 4.069 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 24 6.141 2.794 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.057 1.841 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.711 0.838 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.351 3.489 -4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.456 1.988 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.457 1.064 -2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.856 2.115 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.593 2.980 -1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.256 4.072 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.117 3.647 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.371 2.037 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.455 2.460 -0.912 1.00 0.00 H new ATOM 323 N LYS A 25 8.003 1.764 -5.647 1.00 0.00 N ATOM 324 CA LYS A 25 9.099 1.081 -6.324 1.00 0.00 C ATOM 325 C LYS A 25 8.632 -0.247 -6.912 1.00 0.00 C ATOM 326 O LYS A 25 7.460 -0.606 -6.804 1.00 0.00 O ATOM 327 CB LYS A 25 10.256 0.841 -5.352 1.00 0.00 C ATOM 328 CG LYS A 25 11.214 2.015 -5.246 1.00 0.00 C ATOM 329 CD LYS A 25 12.609 1.562 -4.849 1.00 0.00 C ATOM 330 CE LYS A 25 13.416 1.119 -6.060 1.00 0.00 C ATOM 331 NZ LYS A 25 14.881 1.252 -5.829 1.00 0.00 N ATOM 0 H LYS A 25 8.220 2.070 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 25 9.443 1.718 -7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.850 0.623 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.810 -0.042 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.258 2.537 -6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.839 2.727 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.127 2.377 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.537 0.739 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.178 0.082 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.129 1.716 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.396 0.940 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.112 2.246 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.160 0.663 -5.019 1.00 0.00 H new ATOM 345 N ASN A 26 9.556 -0.973 -7.532 1.00 0.00 N ATOM 346 CA ASN A 26 9.239 -2.262 -8.135 1.00 0.00 C ATOM 347 C ASN A 26 9.120 -3.347 -7.070 1.00 0.00 C ATOM 348 O ASN A 26 9.694 -4.428 -7.204 1.00 0.00 O ATOM 349 CB ASN A 26 10.311 -2.648 -9.156 1.00 0.00 C ATOM 350 CG ASN A 26 11.714 -2.363 -8.657 1.00 0.00 C ATOM 351 OD1 ASN A 26 12.128 -1.207 -8.561 1.00 0.00 O ATOM 352 ND2 ASN A 26 12.454 -3.418 -8.337 1.00 0.00 N ATOM 0 H ASN A 26 10.531 -0.690 -7.630 1.00 0.00 H new ATOM 0 HA ASN A 26 8.279 -2.171 -8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.220 -3.709 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.140 -2.101 -10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.406 -3.288 -7.996 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.070 -4.358 -8.432 1.00 0.00 H new ATOM 359 N ARG A 27 8.373 -3.051 -6.012 1.00 0.00 N ATOM 360 CA ARG A 27 8.180 -4.001 -4.923 1.00 0.00 C ATOM 361 C ARG A 27 6.732 -3.989 -4.441 1.00 0.00 C ATOM 362 O ARG A 27 6.056 -2.961 -4.497 1.00 0.00 O ATOM 363 CB ARG A 27 9.118 -3.673 -3.759 1.00 0.00 C ATOM 364 CG ARG A 27 10.462 -4.377 -3.844 1.00 0.00 C ATOM 365 CD ARG A 27 11.262 -4.206 -2.563 1.00 0.00 C ATOM 366 NE ARG A 27 12.702 -4.210 -2.812 1.00 0.00 N ATOM 367 CZ ARG A 27 13.614 -4.093 -1.853 1.00 0.00 C ATOM 368 NH1 ARG A 27 13.238 -3.963 -0.588 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.905 -4.106 -2.159 1.00 0.00 N ATOM 0 H ARG A 27 7.891 -2.161 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 27 8.412 -4.998 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.283 -2.596 -3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.632 -3.948 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.306 -5.438 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.030 -3.979 -4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.980 -3.270 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.012 -5.009 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 27 13.025 -4.308 -3.775 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.246 -3.953 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.940 -3.873 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.198 -4.206 -3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.605 -4.016 -1.422 1.00 0.00 H new ATOM 383 N CYS A 28 6.261 -5.138 -3.969 1.00 0.00 N ATOM 384 CA CYS A 28 4.894 -5.262 -3.479 1.00 0.00 C ATOM 385 C CYS A 28 4.566 -4.143 -2.494 1.00 0.00 C ATOM 386 O CYS A 28 5.450 -3.620 -1.815 1.00 0.00 O ATOM 387 CB CYS A 28 4.690 -6.622 -2.810 1.00 0.00 C ATOM 388 SG CYS A 28 2.948 -7.030 -2.468 1.00 0.00 S ATOM 0 H CYS A 28 6.807 -5.998 -3.916 1.00 0.00 H new ATOM 0 HA CYS A 28 4.220 -5.181 -4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.114 -7.396 -3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.247 -6.641 -1.873 1.00 0.00 H new ATOM 393 N PHE A 29 3.289 -3.782 -2.420 1.00 0.00 N ATOM 394 CA PHE A 29 2.844 -2.726 -1.518 1.00 0.00 C ATOM 395 C PHE A 29 2.222 -3.315 -0.256 1.00 0.00 C ATOM 396 O PHE A 29 1.716 -2.587 0.597 1.00 0.00 O ATOM 397 CB PHE A 29 1.835 -1.817 -2.222 1.00 0.00 C ATOM 398 CG PHE A 29 0.636 -1.487 -1.379 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.282 -2.468 -1.041 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.427 -0.194 -0.926 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.385 -2.167 -0.266 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.674 0.112 -0.149 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.582 -0.875 0.180 1.00 0.00 C ATOM 0 H PHE A 29 2.544 -4.205 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 29 3.715 -2.137 -1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.332 -0.891 -2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.502 -2.300 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.133 -3.480 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.132 0.583 -1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.093 -2.941 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.824 1.123 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.444 -0.637 0.785 1.00 0.00 H new ATOM 413 N MET A 30 2.263 -4.639 -0.146 1.00 0.00 N ATOM 414 CA MET A 30 1.703 -5.326 1.012 1.00 0.00 C ATOM 415 C MET A 30 2.779 -6.122 1.744 1.00 0.00 C ATOM 416 O MET A 30 2.817 -6.149 2.975 1.00 0.00 O ATOM 417 CB MET A 30 0.569 -6.258 0.581 1.00 0.00 C ATOM 418 CG MET A 30 0.446 -7.505 1.440 1.00 0.00 C ATOM 419 SD MET A 30 -1.266 -8.022 1.673 1.00 0.00 S ATOM 420 CE MET A 30 -1.603 -7.353 3.300 1.00 0.00 C ATOM 0 H MET A 30 2.678 -5.257 -0.844 1.00 0.00 H new ATOM 0 HA MET A 30 1.306 -4.573 1.692 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.373 -5.710 0.614 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.729 -6.555 -0.455 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.007 -8.317 0.977 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.900 -7.318 2.413 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.530 -7.779 3.683 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.783 -7.603 3.973 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.701 -6.269 3.235 1.00 0.00 H new ATOM 430 N CYS A 31 3.652 -6.770 0.980 1.00 0.00 N ATOM 431 CA CYS A 31 4.728 -7.568 1.556 1.00 0.00 C ATOM 432 C CYS A 31 6.087 -6.937 1.265 1.00 0.00 C ATOM 433 O CYS A 31 7.086 -7.266 1.906 1.00 0.00 O ATOM 434 CB CYS A 31 4.687 -8.994 1.003 1.00 0.00 C ATOM 435 SG CYS A 31 5.015 -9.107 -0.786 1.00 0.00 S ATOM 0 H CYS A 31 3.635 -6.758 -0.040 1.00 0.00 H new ATOM 0 HA CYS A 31 4.585 -7.601 2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.420 -9.600 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.707 -9.425 1.210 1.00 0.00 H new ATOM 440 N ARG A 32 6.117 -6.030 0.295 1.00 0.00 N ATOM 441 CA ARG A 32 7.353 -5.354 -0.082 1.00 0.00 C ATOM 442 C ARG A 32 8.367 -6.347 -0.643 1.00 0.00 C ATOM 443 O ARG A 32 9.499 -6.431 -0.167 1.00 0.00 O ATOM 444 CB ARG A 32 7.949 -4.626 1.125 1.00 0.00 C ATOM 445 CG ARG A 32 6.995 -3.637 1.772 1.00 0.00 C ATOM 446 CD ARG A 32 6.237 -4.268 2.929 1.00 0.00 C ATOM 447 NE ARG A 32 5.715 -3.266 3.854 1.00 0.00 N ATOM 448 CZ ARG A 32 5.443 -3.515 5.130 1.00 0.00 C ATOM 449 NH1 ARG A 32 5.642 -4.726 5.630 1.00 0.00 N ATOM 450 NH2 ARG A 32 4.971 -2.550 5.909 1.00 0.00 N ATOM 0 H ARG A 32 5.299 -5.746 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 32 7.117 -4.625 -0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.254 -5.363 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.849 -4.097 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.554 -2.772 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.287 -3.273 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.413 -4.865 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.897 -4.948 3.467 1.00 0.00 H new ATOM 0 HE ARG A 32 5.550 -2.323 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.005 -5.470 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.432 -4.914 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.817 -1.616 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.762 -2.742 6.889 1.00 0.00 H new ATOM 464 N LYS A 33 7.952 -7.099 -1.657 1.00 0.00 N ATOM 465 CA LYS A 33 8.823 -8.086 -2.284 1.00 0.00 C ATOM 466 C LYS A 33 9.110 -7.715 -3.735 1.00 0.00 C ATOM 467 O LYS A 33 8.223 -7.258 -4.457 1.00 0.00 O ATOM 468 CB LYS A 33 8.183 -9.475 -2.218 1.00 0.00 C ATOM 469 CG LYS A 33 8.891 -10.511 -3.074 1.00 0.00 C ATOM 470 CD LYS A 33 7.985 -11.691 -3.385 1.00 0.00 C ATOM 471 CE LYS A 33 8.647 -12.664 -4.349 1.00 0.00 C ATOM 472 NZ LYS A 33 8.015 -14.011 -4.298 1.00 0.00 N ATOM 0 H LYS A 33 7.018 -7.044 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 33 9.767 -8.101 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.177 -9.814 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.143 -9.402 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.222 -10.050 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.784 -10.863 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.731 -12.209 -2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.051 -11.330 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.582 -12.271 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.706 -12.750 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.494 -14.645 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.099 -14.398 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.010 -13.933 -4.553 1.00 0.00 H new ATOM 486 N LYS A 34 10.353 -7.915 -4.158 1.00 0.00 N ATOM 487 CA LYS A 34 10.757 -7.604 -5.524 1.00 0.00 C ATOM 488 C LYS A 34 9.863 -8.320 -6.532 1.00 0.00 C ATOM 489 O LYS A 34 9.909 -9.543 -6.659 1.00 0.00 O ATOM 490 CB LYS A 34 12.217 -8.003 -5.749 1.00 0.00 C ATOM 491 CG LYS A 34 12.945 -7.113 -6.742 1.00 0.00 C ATOM 492 CD LYS A 34 12.663 -7.531 -8.176 1.00 0.00 C ATOM 493 CE LYS A 34 13.487 -8.745 -8.574 1.00 0.00 C ATOM 494 NZ LYS A 34 14.939 -8.426 -8.663 1.00 0.00 N ATOM 0 H LYS A 34 11.099 -8.292 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 34 10.653 -6.529 -5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.744 -7.975 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.253 -9.033 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.638 -6.077 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.018 -7.157 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.603 -7.757 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.886 -6.702 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.334 -9.542 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.138 -9.121 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.417 -9.143 -9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.063 -7.489 -9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.353 -8.422 -7.709 1.00 0.00 H new ATOM 508 N VAL A 35 9.050 -7.548 -7.247 1.00 0.00 N ATOM 509 CA VAL A 35 8.147 -8.108 -8.245 1.00 0.00 C ATOM 510 C VAL A 35 8.667 -7.861 -9.657 1.00 0.00 C ATOM 511 O VAL A 35 8.633 -8.749 -10.507 1.00 0.00 O ATOM 512 CB VAL A 35 6.732 -7.513 -8.120 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.285 -7.500 -6.666 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.690 -6.112 -8.711 1.00 0.00 C ATOM 0 H VAL A 35 8.999 -6.534 -7.153 1.00 0.00 H new ATOM 0 HA VAL A 35 8.099 -9.181 -8.061 1.00 0.00 H new ATOM 0 HB VAL A 35 6.041 -8.141 -8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.283 -7.076 -6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.275 -8.519 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.976 -6.895 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.683 -5.706 -8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.392 -5.471 -8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.965 -6.153 -9.765 1.00 0.00 H new ATOM 524 N GLY A 36 9.150 -6.645 -9.899 1.00 0.00 N ATOM 525 CA GLY A 36 9.671 -6.302 -11.210 1.00 0.00 C ATOM 526 C GLY A 36 8.661 -6.538 -12.315 1.00 0.00 C ATOM 527 O GLY A 36 7.753 -5.732 -12.519 1.00 0.00 O ATOM 0 H GLY A 36 9.190 -5.893 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.972 -5.255 -11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.566 -6.892 -11.408 1.00 0.00 H new ATOM 531 N LEU A 37 8.820 -7.645 -13.033 1.00 0.00 N ATOM 532 CA LEU A 37 7.916 -7.984 -14.126 1.00 0.00 C ATOM 533 C LEU A 37 6.678 -8.707 -13.604 1.00 0.00 C ATOM 534 O LEU A 37 5.592 -8.594 -14.174 1.00 0.00 O ATOM 535 CB LEU A 37 8.634 -8.858 -15.156 1.00 0.00 C ATOM 536 CG LEU A 37 9.798 -8.200 -15.898 1.00 0.00 C ATOM 537 CD1 LEU A 37 10.625 -9.247 -16.628 1.00 0.00 C ATOM 538 CD2 LEU A 37 9.285 -7.150 -16.872 1.00 0.00 C ATOM 0 H LEU A 37 9.566 -8.323 -12.878 1.00 0.00 H new ATOM 0 HA LEU A 37 7.599 -7.057 -14.603 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.008 -9.748 -14.650 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.903 -9.193 -15.892 1.00 0.00 H new ATOM 0 HG LEU A 37 10.437 -7.706 -15.166 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.449 -8.761 -17.150 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.023 -9.962 -15.909 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.996 -9.769 -17.349 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.127 -6.693 -17.391 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.623 -7.621 -17.599 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.736 -6.383 -16.325 1.00 0.00 H new ATOM 550 N THR A 38 6.848 -9.450 -12.514 1.00 0.00 N ATOM 551 CA THR A 38 5.746 -10.191 -11.914 1.00 0.00 C ATOM 552 C THR A 38 4.930 -9.303 -10.982 1.00 0.00 C ATOM 553 O THR A 38 4.385 -9.770 -9.983 1.00 0.00 O ATOM 554 CB THR A 38 6.253 -11.413 -11.126 1.00 0.00 C ATOM 555 OG1 THR A 38 7.093 -10.986 -10.048 1.00 0.00 O ATOM 556 CG2 THR A 38 7.026 -12.359 -12.033 1.00 0.00 C ATOM 0 H THR A 38 7.739 -9.554 -12.029 1.00 0.00 H new ATOM 0 HA THR A 38 5.113 -10.533 -12.733 1.00 0.00 H new ATOM 0 HB THR A 38 5.389 -11.943 -10.725 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.557 -10.161 -10.302 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.374 -13.215 -11.454 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.376 -12.705 -12.837 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.882 -11.836 -12.459 1.00 0.00 H new ATOM 564 N GLY A 39 4.848 -8.018 -11.317 1.00 0.00 N ATOM 565 CA GLY A 39 4.095 -7.085 -10.499 1.00 0.00 C ATOM 566 C GLY A 39 2.611 -7.115 -10.803 1.00 0.00 C ATOM 567 O GLY A 39 2.198 -7.555 -11.876 1.00 0.00 O ATOM 0 H GLY A 39 5.289 -7.607 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.252 -7.321 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.475 -6.076 -10.660 1.00 0.00 H new ATOM 571 N PHE A 40 1.805 -6.646 -9.856 1.00 0.00 N ATOM 572 CA PHE A 40 0.357 -6.624 -10.026 1.00 0.00 C ATOM 573 C PHE A 40 -0.216 -5.265 -9.633 1.00 0.00 C ATOM 574 O PHE A 40 -0.222 -4.899 -8.458 1.00 0.00 O ATOM 575 CB PHE A 40 -0.294 -7.726 -9.188 1.00 0.00 C ATOM 576 CG PHE A 40 -1.428 -8.420 -9.887 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.721 -7.930 -9.794 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.201 -9.562 -10.639 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.766 -8.568 -10.436 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.242 -10.204 -11.283 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.526 -9.705 -11.182 1.00 0.00 C ATOM 0 H PHE A 40 2.130 -6.276 -8.963 1.00 0.00 H new ATOM 0 HA PHE A 40 0.138 -6.801 -11.079 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.463 -8.463 -8.921 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.661 -7.294 -8.257 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.914 -7.040 -9.214 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.199 -9.955 -10.723 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.770 -8.177 -10.354 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.052 -11.094 -11.864 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.341 -10.203 -11.686 1.00 0.00 H new ATOM 591 N ASP A 41 -0.695 -4.522 -10.625 1.00 0.00 N ATOM 592 CA ASP A 41 -1.270 -3.204 -10.384 1.00 0.00 C ATOM 593 C ASP A 41 -2.765 -3.308 -10.099 1.00 0.00 C ATOM 594 O ASP A 41 -3.550 -3.681 -10.972 1.00 0.00 O ATOM 595 CB ASP A 41 -1.030 -2.292 -11.588 1.00 0.00 C ATOM 596 CG ASP A 41 -1.290 -2.992 -12.907 1.00 0.00 C ATOM 597 OD1 ASP A 41 -2.295 -3.727 -12.999 1.00 0.00 O ATOM 598 OD2 ASP A 41 -0.488 -2.806 -13.846 1.00 0.00 O ATOM 0 H ASP A 41 -0.696 -4.810 -11.603 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.780 -2.775 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.675 -1.417 -11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.001 -1.932 -11.568 1.00 0.00 H new ATOM 603 N CYS A 42 -3.153 -2.976 -8.872 1.00 0.00 N ATOM 604 CA CYS A 42 -4.553 -3.033 -8.470 1.00 0.00 C ATOM 605 C CYS A 42 -5.272 -1.733 -8.819 1.00 0.00 C ATOM 606 O CYS A 42 -4.638 -0.725 -9.131 1.00 0.00 O ATOM 607 CB CYS A 42 -4.664 -3.303 -6.968 1.00 0.00 C ATOM 608 SG CYS A 42 -6.352 -3.694 -6.406 1.00 0.00 S ATOM 0 H CYS A 42 -2.516 -2.664 -8.138 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.029 -3.849 -9.015 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.005 -4.132 -6.709 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.305 -2.429 -6.425 1.00 0.00 H new ATOM 613 N ARG A 43 -6.600 -1.765 -8.765 1.00 0.00 N ATOM 614 CA ARG A 43 -7.405 -0.590 -9.076 1.00 0.00 C ATOM 615 C ARG A 43 -7.183 0.511 -8.043 1.00 0.00 C ATOM 616 O ARG A 43 -7.227 1.698 -8.366 1.00 0.00 O ATOM 617 CB ARG A 43 -8.888 -0.962 -9.129 1.00 0.00 C ATOM 618 CG ARG A 43 -9.185 -2.158 -10.019 1.00 0.00 C ATOM 619 CD ARG A 43 -9.197 -1.769 -11.489 1.00 0.00 C ATOM 620 NE ARG A 43 -7.870 -1.864 -12.091 1.00 0.00 N ATOM 621 CZ ARG A 43 -7.652 -1.819 -13.401 1.00 0.00 C ATOM 622 NH1 ARG A 43 -8.669 -1.680 -14.240 1.00 0.00 N ATOM 623 NH2 ARG A 43 -6.415 -1.912 -13.872 1.00 0.00 N ATOM 0 H ARG A 43 -7.141 -2.591 -8.509 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.095 -0.216 -10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.236 -1.176 -8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.457 -0.104 -9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.436 -2.932 -9.852 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.150 -2.585 -9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.888 -2.416 -12.030 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.569 -0.750 -11.591 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.066 -1.971 -11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.621 -1.607 -13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.500 -1.646 -15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.631 -2.018 -13.228 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.248 -1.877 -14.878 1.00 0.00 H new ATOM 637 N CYS A 44 -6.944 0.109 -6.799 1.00 0.00 N ATOM 638 CA CYS A 44 -6.715 1.060 -5.718 1.00 0.00 C ATOM 639 C CYS A 44 -5.472 1.903 -5.989 1.00 0.00 C ATOM 640 O CYS A 44 -5.195 2.866 -5.275 1.00 0.00 O ATOM 641 CB CYS A 44 -6.564 0.322 -4.386 1.00 0.00 C ATOM 642 SG CYS A 44 -5.153 -0.828 -4.328 1.00 0.00 S ATOM 0 H CYS A 44 -6.904 -0.870 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.577 1.724 -5.663 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.454 1.055 -3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.480 -0.233 -4.185 1.00 0.00 H new ATOM 647 N GLY A 45 -4.727 1.533 -7.026 1.00 0.00 N ATOM 648 CA GLY A 45 -3.523 2.265 -7.373 1.00 0.00 C ATOM 649 C GLY A 45 -2.317 1.807 -6.579 1.00 0.00 C ATOM 650 O GLY A 45 -1.526 2.625 -6.112 1.00 0.00 O ATOM 0 H GLY A 45 -4.936 0.739 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.321 2.143 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.686 3.329 -7.200 1.00 0.00 H new ATOM 654 N ASN A 46 -2.176 0.494 -6.423 1.00 0.00 N ATOM 655 CA ASN A 46 -1.058 -0.071 -5.677 1.00 0.00 C ATOM 656 C ASN A 46 -0.398 -1.202 -6.460 1.00 0.00 C ATOM 657 O ASN A 46 -0.928 -1.664 -7.472 1.00 0.00 O ATOM 658 CB ASN A 46 -1.534 -0.588 -4.318 1.00 0.00 C ATOM 659 CG ASN A 46 -1.470 0.477 -3.240 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.484 1.206 -3.129 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.525 0.572 -2.439 1.00 0.00 N ATOM 0 H ASN A 46 -2.822 -0.198 -6.803 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.322 0.718 -5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.559 -0.949 -4.408 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.921 -1.439 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.540 1.270 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.321 -0.053 -2.567 1.00 0.00 H new ATOM 668 N LEU A 47 0.762 -1.644 -5.986 1.00 0.00 N ATOM 669 CA LEU A 47 1.495 -2.722 -6.641 1.00 0.00 C ATOM 670 C LEU A 47 1.570 -3.953 -5.745 1.00 0.00 C ATOM 671 O LEU A 47 1.847 -3.848 -4.550 1.00 0.00 O ATOM 672 CB LEU A 47 2.906 -2.257 -7.006 1.00 0.00 C ATOM 673 CG LEU A 47 3.912 -3.360 -7.339 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.544 -4.040 -8.648 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.322 -2.793 -7.408 1.00 0.00 C ATOM 0 H LEU A 47 1.215 -1.273 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 47 0.960 -2.991 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.836 -1.587 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.300 -1.672 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 47 3.881 -4.106 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.271 -4.822 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.551 -4.481 -8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.546 -3.305 -9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.024 -3.592 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.369 -2.027 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.585 -2.353 -6.446 1.00 0.00 H new ATOM 687 N PHE A 48 1.322 -5.121 -6.330 1.00 0.00 N ATOM 688 CA PHE A 48 1.362 -6.373 -5.584 1.00 0.00 C ATOM 689 C PHE A 48 2.149 -7.435 -6.346 1.00 0.00 C ATOM 690 O PHE A 48 2.208 -7.417 -7.576 1.00 0.00 O ATOM 691 CB PHE A 48 -0.058 -6.873 -5.309 1.00 0.00 C ATOM 692 CG PHE A 48 -0.920 -5.870 -4.598 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.657 -4.939 -5.312 1.00 0.00 C ATOM 694 CD2 PHE A 48 -0.993 -5.858 -3.214 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.450 -4.015 -4.660 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.785 -4.935 -2.556 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.515 -4.013 -3.280 1.00 0.00 C ATOM 0 H PHE A 48 1.091 -5.226 -7.318 1.00 0.00 H new ATOM 0 HA PHE A 48 1.864 -6.186 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.530 -7.140 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.005 -7.783 -4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.611 -4.936 -6.391 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.425 -6.578 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.019 -3.294 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.833 -4.935 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.135 -3.292 -2.768 1.00 0.00 H new ATOM 707 N CYS A 49 2.752 -8.360 -5.608 1.00 0.00 N ATOM 708 CA CYS A 49 3.537 -9.430 -6.212 1.00 0.00 C ATOM 709 C CYS A 49 2.636 -10.576 -6.665 1.00 0.00 C ATOM 710 O CYS A 49 3.090 -11.707 -6.831 1.00 0.00 O ATOM 711 CB CYS A 49 4.580 -9.949 -5.219 1.00 0.00 C ATOM 712 SG CYS A 49 3.870 -10.730 -3.735 1.00 0.00 S ATOM 0 H CYS A 49 2.712 -8.390 -4.589 1.00 0.00 H new ATOM 0 HA CYS A 49 4.047 -9.024 -7.086 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.220 -10.671 -5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.217 -9.120 -4.911 1.00 0.00 H new ATOM 717 N GLY A 50 1.357 -10.273 -6.863 1.00 0.00 N ATOM 718 CA GLY A 50 0.413 -11.287 -7.295 1.00 0.00 C ATOM 719 C GLY A 50 -0.081 -12.145 -6.148 1.00 0.00 C ATOM 720 O GLY A 50 -1.193 -12.674 -6.191 1.00 0.00 O ATOM 0 H GLY A 50 0.958 -9.344 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.438 -10.805 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.885 -11.923 -8.044 1.00 0.00 H new ATOM 724 N LEU A 51 0.747 -12.288 -5.119 1.00 0.00 N ATOM 725 CA LEU A 51 0.389 -13.091 -3.954 1.00 0.00 C ATOM 726 C LEU A 51 -0.636 -12.366 -3.087 1.00 0.00 C ATOM 727 O LEU A 51 -1.399 -12.995 -2.353 1.00 0.00 O ATOM 728 CB LEU A 51 1.636 -13.412 -3.129 1.00 0.00 C ATOM 729 CG LEU A 51 2.793 -14.064 -3.887 1.00 0.00 C ATOM 730 CD1 LEU A 51 4.125 -13.675 -3.265 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.632 -15.577 -3.906 1.00 0.00 C ATOM 0 H LEU A 51 1.671 -11.859 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.055 -14.022 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.998 -12.487 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.346 -14.072 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 51 2.777 -13.704 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.937 -14.148 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.242 -12.592 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.152 -14.005 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.464 -16.025 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.621 -15.955 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.695 -15.837 -4.399 1.00 0.00 H new ATOM 743 N HIS A 52 -0.649 -11.040 -3.179 1.00 0.00 N ATOM 744 CA HIS A 52 -1.583 -10.230 -2.405 1.00 0.00 C ATOM 745 C HIS A 52 -2.494 -9.423 -3.325 1.00 0.00 C ATOM 746 O HIS A 52 -3.401 -8.729 -2.864 1.00 0.00 O ATOM 747 CB HIS A 52 -0.822 -9.290 -1.469 1.00 0.00 C ATOM 748 CG HIS A 52 0.036 -10.005 -0.471 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.396 -10.169 -0.627 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.280 -10.598 0.704 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.879 -10.834 0.407 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.882 -11.106 1.230 1.00 0.00 N ATOM 0 H HIS A 52 -0.024 -10.504 -3.781 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.201 -10.902 -1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.196 -8.626 -2.065 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.537 -8.662 -0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.264 -10.660 1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.913 -11.109 0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.962 -11.611 2.112 1.00 0.00 H new ATOM 760 N ARG A 53 -2.246 -9.518 -4.627 1.00 0.00 N ATOM 761 CA ARG A 53 -3.042 -8.795 -5.611 1.00 0.00 C ATOM 762 C ARG A 53 -4.515 -8.776 -5.212 1.00 0.00 C ATOM 763 O ARG A 53 -5.156 -7.725 -5.214 1.00 0.00 O ATOM 764 CB ARG A 53 -2.886 -9.432 -6.993 1.00 0.00 C ATOM 765 CG ARG A 53 -3.417 -10.854 -7.072 1.00 0.00 C ATOM 766 CD ARG A 53 -3.034 -11.520 -8.384 1.00 0.00 C ATOM 767 NE ARG A 53 -3.900 -12.654 -8.696 1.00 0.00 N ATOM 768 CZ ARG A 53 -3.551 -13.643 -9.510 1.00 0.00 C ATOM 769 NH1 ARG A 53 -2.359 -13.639 -10.091 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.395 -14.640 -9.744 1.00 0.00 N ATOM 0 H ARG A 53 -1.500 -10.089 -5.025 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.680 -7.768 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.406 -8.818 -7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.831 -9.431 -7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.024 -11.437 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.502 -10.844 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.089 -10.789 -9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.999 -11.858 -8.330 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.824 -12.688 -8.265 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.707 -12.875 -9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.094 -14.400 -10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.312 -14.647 -9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.126 -15.400 -10.370 1.00 0.00 H new ATOM 784 N TYR A 54 -5.044 -9.946 -4.870 1.00 0.00 N ATOM 785 CA TYR A 54 -6.441 -10.065 -4.471 1.00 0.00 C ATOM 786 C TYR A 54 -6.860 -8.887 -3.596 1.00 0.00 C ATOM 787 O TYR A 54 -6.036 -8.287 -2.906 1.00 0.00 O ATOM 788 CB TYR A 54 -6.669 -11.378 -3.720 1.00 0.00 C ATOM 789 CG TYR A 54 -6.162 -12.595 -4.462 1.00 0.00 C ATOM 790 CD1 TYR A 54 -4.817 -12.940 -4.433 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.029 -13.399 -5.191 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.350 -14.050 -5.109 1.00 0.00 C ATOM 793 CE2 TYR A 54 -6.571 -14.512 -5.869 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.230 -14.833 -5.826 1.00 0.00 C ATOM 795 OH TYR A 54 -4.769 -15.940 -6.500 1.00 0.00 O ATOM 0 H TYR A 54 -4.526 -10.825 -4.861 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.052 -10.060 -5.374 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.175 -11.322 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.735 -11.497 -3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.124 -12.330 -3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.079 -13.150 -5.228 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.301 -14.304 -5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.259 -15.127 -6.430 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.517 -16.382 -6.953 1.00 0.00 H new ATOM 805 N SER A 55 -8.149 -8.562 -3.629 1.00 0.00 N ATOM 806 CA SER A 55 -8.679 -7.455 -2.842 1.00 0.00 C ATOM 807 C SER A 55 -8.845 -7.858 -1.380 1.00 0.00 C ATOM 808 O SER A 55 -8.749 -7.024 -0.480 1.00 0.00 O ATOM 809 CB SER A 55 -10.022 -6.994 -3.412 1.00 0.00 C ATOM 810 OG SER A 55 -10.796 -8.097 -3.850 1.00 0.00 O ATOM 0 H SER A 55 -8.845 -9.050 -4.193 1.00 0.00 H new ATOM 0 HA SER A 55 -7.968 -6.631 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.572 -6.439 -2.652 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.852 -6.311 -4.245 1.00 0.00 H new ATOM 0 HG SER A 55 -11.650 -7.776 -4.208 1.00 0.00 H new ATOM 816 N ASP A 56 -9.095 -9.143 -1.152 1.00 0.00 N ATOM 817 CA ASP A 56 -9.274 -9.658 0.200 1.00 0.00 C ATOM 818 C ASP A 56 -7.963 -10.213 0.748 1.00 0.00 C ATOM 819 O ASP A 56 -7.957 -11.007 1.689 1.00 0.00 O ATOM 820 CB ASP A 56 -10.349 -10.746 0.216 1.00 0.00 C ATOM 821 CG ASP A 56 -11.747 -10.181 0.062 1.00 0.00 C ATOM 822 OD1 ASP A 56 -12.019 -9.105 0.635 1.00 0.00 O ATOM 823 OD2 ASP A 56 -12.570 -10.815 -0.632 1.00 0.00 O ATOM 0 H ASP A 56 -9.178 -9.846 -1.886 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.593 -8.833 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.156 -11.455 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.286 -11.301 1.152 1.00 0.00 H new ATOM 828 N LYS A 57 -6.853 -9.791 0.152 1.00 0.00 N ATOM 829 CA LYS A 57 -5.534 -10.244 0.580 1.00 0.00 C ATOM 830 C LYS A 57 -4.706 -9.081 1.116 1.00 0.00 C ATOM 831 O LYS A 57 -3.858 -9.261 1.990 1.00 0.00 O ATOM 832 CB LYS A 57 -4.800 -10.913 -0.585 1.00 0.00 C ATOM 833 CG LYS A 57 -5.236 -12.346 -0.835 1.00 0.00 C ATOM 834 CD LYS A 57 -4.833 -13.260 0.310 1.00 0.00 C ATOM 835 CE LYS A 57 -5.246 -14.700 0.046 1.00 0.00 C ATOM 836 NZ LYS A 57 -6.726 -14.849 -0.023 1.00 0.00 N ATOM 0 H LYS A 57 -6.840 -9.136 -0.629 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.669 -10.970 1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.964 -10.329 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.729 -10.897 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.318 -12.380 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.791 -12.706 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.754 -13.211 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.294 -12.912 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.803 -15.039 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.853 -15.341 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.974 -15.859 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.161 -14.381 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.079 -14.411 -0.898 1.00 0.00 H new ATOM 850 N HIS A 58 -4.958 -7.887 0.587 1.00 0.00 N ATOM 851 CA HIS A 58 -4.237 -6.694 1.015 1.00 0.00 C ATOM 852 C HIS A 58 -5.203 -5.627 1.520 1.00 0.00 C ATOM 853 O HIS A 58 -4.854 -4.451 1.607 1.00 0.00 O ATOM 854 CB HIS A 58 -3.402 -6.137 -0.138 1.00 0.00 C ATOM 855 CG HIS A 58 -4.224 -5.550 -1.244 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.233 -6.058 -2.526 1.00 0.00 N ATOM 857 CD2 HIS A 58 -5.068 -4.492 -1.254 1.00 0.00 C ATOM 858 CE1 HIS A 58 -5.047 -5.337 -3.277 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.567 -4.381 -2.529 1.00 0.00 N ATOM 0 H HIS A 58 -5.656 -7.721 -0.138 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.573 -6.974 1.833 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.729 -5.372 0.248 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.779 -6.935 -0.543 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.695 -6.864 -2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.305 -3.854 -0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.252 -5.502 -4.324 1.00 0.00 H new ATOM 867 N ASN A 59 -6.420 -6.047 1.853 1.00 0.00 N ATOM 868 CA ASN A 59 -7.437 -5.127 2.348 1.00 0.00 C ATOM 869 C ASN A 59 -7.646 -3.970 1.375 1.00 0.00 C ATOM 870 O ASN A 59 -7.573 -2.802 1.757 1.00 0.00 O ATOM 871 CB ASN A 59 -7.039 -4.586 3.723 1.00 0.00 C ATOM 872 CG ASN A 59 -6.394 -5.644 4.596 1.00 0.00 C ATOM 873 OD1 ASN A 59 -5.079 -5.788 4.479 1.00 0.00 O flip ATOM 874 ND2 ASN A 59 -7.070 -6.325 5.368 1.00 0.00 N flip ATOM 0 H ASN A 59 -6.725 -7.018 1.789 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.374 -5.676 2.438 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.348 -3.753 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.923 -4.193 4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.078 -6.181 5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.622 -7.033 5.949 1.00 0.00 H new ATOM 881 N CYS A 60 -7.905 -4.304 0.115 1.00 0.00 N ATOM 882 CA CYS A 60 -8.125 -3.295 -0.914 1.00 0.00 C ATOM 883 C CYS A 60 -9.196 -2.299 -0.480 1.00 0.00 C ATOM 884 O CYS A 60 -10.359 -2.649 -0.278 1.00 0.00 O ATOM 885 CB CYS A 60 -8.534 -3.960 -2.230 1.00 0.00 C ATOM 886 SG CYS A 60 -8.553 -2.830 -3.659 1.00 0.00 S ATOM 0 H CYS A 60 -7.968 -5.266 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.191 -2.754 -1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.848 -4.781 -2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.526 -4.396 -2.112 1.00 0.00 H new ATOM 891 N PRO A 61 -8.796 -1.027 -0.332 1.00 0.00 N ATOM 892 CA PRO A 61 -9.706 0.046 0.078 1.00 0.00 C ATOM 893 C PRO A 61 -10.725 0.388 -1.004 1.00 0.00 C ATOM 894 O PRO A 61 -11.822 0.864 -0.709 1.00 0.00 O ATOM 895 CB PRO A 61 -8.769 1.231 0.325 1.00 0.00 C ATOM 896 CG PRO A 61 -7.579 0.957 -0.529 1.00 0.00 C ATOM 897 CD PRO A 61 -7.425 -0.539 -0.556 1.00 0.00 C ATOM 0 HA PRO A 61 -10.300 -0.234 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.243 2.174 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.493 1.305 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.721 1.353 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.688 1.434 -0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.026 -0.885 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.743 -0.887 0.220 1.00 0.00 H new ATOM 905 N TYR A 62 -10.356 0.143 -2.256 1.00 0.00 N ATOM 906 CA TYR A 62 -11.237 0.427 -3.382 1.00 0.00 C ATOM 907 C TYR A 62 -12.641 -0.110 -3.124 1.00 0.00 C ATOM 908 O TYR A 62 -12.903 -0.726 -2.090 1.00 0.00 O ATOM 909 CB TYR A 62 -10.672 -0.185 -4.665 1.00 0.00 C ATOM 910 CG TYR A 62 -10.705 0.755 -5.849 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.077 1.994 -5.795 1.00 0.00 C ATOM 912 CD2 TYR A 62 -11.364 0.406 -7.021 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.104 2.856 -6.874 1.00 0.00 C ATOM 914 CE2 TYR A 62 -11.395 1.261 -8.106 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.765 2.485 -8.027 1.00 0.00 C ATOM 916 OH TYR A 62 -10.795 3.340 -9.105 1.00 0.00 O ATOM 0 H TYR A 62 -9.452 -0.252 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.298 1.509 -3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.643 -0.496 -4.487 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.238 -1.084 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.559 2.288 -4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.861 -0.551 -7.085 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.611 3.815 -6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.910 0.972 -9.011 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.300 2.927 -9.836 1.00 0.00 H new ATOM 926 N ASP A 63 -13.541 0.126 -4.072 1.00 0.00 N ATOM 927 CA ASP A 63 -14.919 -0.335 -3.950 1.00 0.00 C ATOM 928 C ASP A 63 -15.325 -1.163 -5.166 1.00 0.00 C ATOM 929 O ASP A 63 -16.302 -1.911 -5.122 1.00 0.00 O ATOM 930 CB ASP A 63 -15.866 0.856 -3.790 1.00 0.00 C ATOM 931 CG ASP A 63 -16.388 1.364 -5.120 1.00 0.00 C ATOM 932 OD1 ASP A 63 -15.560 1.672 -6.003 1.00 0.00 O ATOM 933 OD2 ASP A 63 -17.623 1.454 -5.278 1.00 0.00 O ATOM 0 H ASP A 63 -13.341 0.634 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.988 -0.966 -3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.707 0.566 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.346 1.663 -3.275 1.00 0.00 H new ATOM 938 N TYR A 64 -14.569 -1.023 -6.249 1.00 0.00 N ATOM 939 CA TYR A 64 -14.852 -1.755 -7.478 1.00 0.00 C ATOM 940 C TYR A 64 -15.353 -3.163 -7.170 1.00 0.00 C ATOM 941 O TYR A 64 -16.150 -3.729 -7.918 1.00 0.00 O ATOM 942 CB TYR A 64 -13.599 -1.827 -8.353 1.00 0.00 C ATOM 943 CG TYR A 64 -12.547 -2.776 -7.826 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.196 -2.779 -6.482 1.00 0.00 C ATOM 945 CD2 TYR A 64 -11.904 -3.671 -8.673 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.234 -3.644 -5.997 1.00 0.00 C ATOM 947 CE2 TYR A 64 -10.942 -4.540 -8.196 1.00 0.00 C ATOM 948 CZ TYR A 64 -10.610 -4.523 -6.858 1.00 0.00 C ATOM 949 OH TYR A 64 -9.653 -5.387 -6.378 1.00 0.00 O ATOM 0 H TYR A 64 -13.756 -0.410 -6.301 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.634 -1.221 -8.018 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.885 -2.137 -9.358 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -13.167 -0.830 -8.438 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.683 -2.093 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.161 -3.687 -9.722 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.972 -3.632 -4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -10.452 -5.229 -8.868 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.777 -4.949 -6.400 1.00 0.00 H new ATOM 959 N LYS A 65 -14.879 -3.723 -6.062 1.00 0.00 N ATOM 960 CA LYS A 65 -15.279 -5.064 -5.651 1.00 0.00 C ATOM 961 C LYS A 65 -16.762 -5.297 -5.921 1.00 0.00 C ATOM 962 O LYS A 65 -17.158 -6.368 -6.379 1.00 0.00 O ATOM 963 CB LYS A 65 -14.981 -5.274 -4.165 1.00 0.00 C ATOM 964 CG LYS A 65 -15.657 -4.258 -3.260 1.00 0.00 C ATOM 965 CD LYS A 65 -15.189 -4.396 -1.821 1.00 0.00 C ATOM 966 CE LYS A 65 -15.345 -3.090 -1.056 1.00 0.00 C ATOM 967 NZ LYS A 65 -15.414 -3.312 0.414 1.00 0.00 N ATOM 0 H LYS A 65 -14.217 -3.269 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.705 -5.782 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.302 -6.275 -3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.903 -5.227 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.443 -3.251 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.738 -4.390 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.761 -5.180 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.144 -4.705 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.506 -2.433 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.249 -2.580 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.520 -2.398 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.230 -3.918 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.541 -3.775 0.736 1.00 0.00 H new ATOM 981 N ALA A 66 -17.576 -4.286 -5.635 1.00 0.00 N ATOM 982 CA ALA A 66 -19.015 -4.380 -5.851 1.00 0.00 C ATOM 983 C ALA A 66 -19.393 -3.902 -7.249 1.00 0.00 C ATOM 984 O ALA A 66 -20.257 -4.487 -7.901 1.00 0.00 O ATOM 985 CB ALA A 66 -19.760 -3.575 -4.797 1.00 0.00 C ATOM 0 H ALA A 66 -17.264 -3.393 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 66 -19.303 -5.428 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.833 -3.654 -4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -19.523 -3.964 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.459 -2.529 -4.858 1.00 0.00 H new ATOM 991 N GLU A 67 -18.740 -2.837 -7.702 1.00 0.00 N ATOM 992 CA GLU A 67 -19.010 -2.280 -9.022 1.00 0.00 C ATOM 993 C GLU A 67 -18.894 -3.355 -10.099 1.00 0.00 C ATOM 994 O GLU A 67 -17.812 -3.602 -10.631 1.00 0.00 O ATOM 995 CB GLU A 67 -18.044 -1.133 -9.325 1.00 0.00 C ATOM 996 CG GLU A 67 -18.057 -0.034 -8.276 1.00 0.00 C ATOM 997 CD GLU A 67 -19.367 0.729 -8.248 1.00 0.00 C ATOM 998 OE1 GLU A 67 -20.421 0.092 -8.049 1.00 0.00 O ATOM 999 OE2 GLU A 67 -19.336 1.965 -8.425 1.00 0.00 O ATOM 0 H GLU A 67 -18.020 -2.343 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 67 -20.030 -1.895 -9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.033 -1.533 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.297 -0.702 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.874 -0.471 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.240 0.661 -8.472 1.00 0.00 H new ATOM 1006 N ALA A 68 -20.018 -3.991 -10.416 1.00 0.00 N ATOM 1007 CA ALA A 68 -20.043 -5.038 -11.429 1.00 0.00 C ATOM 1008 C ALA A 68 -21.467 -5.308 -11.904 1.00 0.00 C ATOM 1009 O ALA A 68 -22.354 -5.598 -11.102 1.00 0.00 O ATOM 1010 CB ALA A 68 -19.415 -6.313 -10.887 1.00 0.00 C ATOM 0 H ALA A 68 -20.922 -3.799 -9.985 1.00 0.00 H new ATOM 0 HA ALA A 68 -19.461 -4.695 -12.284 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -19.441 -7.086 -11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -18.381 -6.117 -10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.973 -6.650 -10.013 1.00 0.00 H new ATOM 1016 N SER A 69 -21.678 -5.210 -13.213 1.00 0.00 N ATOM 1017 CA SER A 69 -22.996 -5.439 -13.793 1.00 0.00 C ATOM 1018 C SER A 69 -24.090 -4.850 -12.908 1.00 0.00 C ATOM 1019 O SER A 69 -25.139 -5.460 -12.709 1.00 0.00 O ATOM 1020 CB SER A 69 -23.236 -6.937 -13.991 1.00 0.00 C ATOM 1021 OG SER A 69 -22.210 -7.519 -14.776 1.00 0.00 O ATOM 0 H SER A 69 -20.954 -4.974 -13.891 1.00 0.00 H new ATOM 0 HA SER A 69 -23.030 -4.941 -14.762 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.281 -7.432 -13.021 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.201 -7.093 -14.474 1.00 0.00 H new ATOM 0 HG SER A 69 -22.386 -8.477 -14.886 1.00 0.00 H new ATOM 1027 N GLY A 70 -23.836 -3.657 -12.378 1.00 0.00 N ATOM 1028 CA GLY A 70 -24.807 -3.004 -11.520 1.00 0.00 C ATOM 1029 C GLY A 70 -24.245 -2.680 -10.150 1.00 0.00 C ATOM 1030 O GLY A 70 -23.556 -3.492 -9.531 1.00 0.00 O ATOM 0 H GLY A 70 -22.975 -3.131 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.148 -2.085 -11.996 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -25.680 -3.648 -11.408 1.00 0.00 H new ATOM 1034 N PRO A 71 -24.538 -1.468 -9.657 1.00 0.00 N ATOM 1035 CA PRO A 71 -24.067 -1.011 -8.346 1.00 0.00 C ATOM 1036 C PRO A 71 -24.742 -1.751 -7.197 1.00 0.00 C ATOM 1037 O PRO A 71 -24.129 -1.995 -6.157 1.00 0.00 O ATOM 1038 CB PRO A 71 -24.450 0.471 -8.328 1.00 0.00 C ATOM 1039 CG PRO A 71 -25.601 0.576 -9.269 1.00 0.00 C ATOM 1040 CD PRO A 71 -25.354 -0.451 -10.340 1.00 0.00 C ATOM 0 HA PRO A 71 -23.000 -1.191 -8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -24.727 0.796 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -23.618 1.099 -8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -26.544 0.386 -8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -25.667 1.577 -9.696 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -26.287 -0.871 -10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -24.830 -0.023 -11.194 1.00 0.00 H new ATOM 1048 N SER A 72 -26.009 -2.105 -7.390 1.00 0.00 N ATOM 1049 CA SER A 72 -26.769 -2.814 -6.367 1.00 0.00 C ATOM 1050 C SER A 72 -27.722 -3.823 -7.000 1.00 0.00 C ATOM 1051 O SER A 72 -28.391 -3.526 -7.990 1.00 0.00 O ATOM 1052 CB SER A 72 -27.556 -1.822 -5.508 1.00 0.00 C ATOM 1053 OG SER A 72 -26.684 -0.974 -4.780 1.00 0.00 O ATOM 0 H SER A 72 -26.531 -1.912 -8.245 1.00 0.00 H new ATOM 0 HA SER A 72 -26.064 -3.353 -5.734 1.00 0.00 H new ATOM 0 HB2 SER A 72 -28.206 -1.221 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 72 -28.200 -2.366 -4.817 1.00 0.00 H new ATOM 0 HG SER A 72 -27.211 -0.348 -4.240 1.00 0.00 H new ATOM 1059 N SER A 73 -27.777 -5.019 -6.422 1.00 0.00 N ATOM 1060 CA SER A 73 -28.644 -6.075 -6.931 1.00 0.00 C ATOM 1061 C SER A 73 -30.003 -6.044 -6.237 1.00 0.00 C ATOM 1062 O SER A 73 -30.551 -7.084 -5.875 1.00 0.00 O ATOM 1063 CB SER A 73 -27.988 -7.442 -6.733 1.00 0.00 C ATOM 1064 OG SER A 73 -26.935 -7.642 -7.660 1.00 0.00 O ATOM 0 H SER A 73 -27.231 -5.281 -5.601 1.00 0.00 H new ATOM 0 HA SER A 73 -28.796 -5.904 -7.997 1.00 0.00 H new ATOM 0 HB2 SER A 73 -27.602 -7.519 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 73 -28.734 -8.227 -6.851 1.00 0.00 H new ATOM 0 HG SER A 73 -26.531 -8.522 -7.511 1.00 0.00 H new ATOM 1070 N GLY A 74 -30.540 -4.841 -6.054 1.00 0.00 N ATOM 1071 CA GLY A 74 -31.829 -4.696 -5.403 1.00 0.00 C ATOM 1072 C GLY A 74 -31.774 -3.762 -4.210 1.00 0.00 C ATOM 1073 O GLY A 74 -30.699 -3.580 -3.641 1.00 0.00 O ATOM 0 H GLY A 74 -30.106 -3.965 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -32.556 -4.319 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -32.181 -5.675 -5.078 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.055 -9.326 -2.094 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -6.228 -2.885 -4.184 1.00 0.00 ZN