USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 524 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 35 HIS HE2 : A 35 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HE2 : A 61 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD Set 1.1: A 21 GLN : amide:sc= -0.104 X(o=-0.64,f=-0.17) USER MOD Set 1.2: A 22 HIS : no HD1:sc= -0.539 X(o=-0.64,f=-0.16) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 42:sc= 0.083 USER MOD Single : A 8 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-5!) USER MOD Single : A 11 THR OG1 : rot -12:sc= 0.781 USER MOD Single : A 13 CYS SG : rot 17:sc= 0.022 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0651) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.7!) USER MOD Single : A 52 ASN : amide:sc= 0.124 K(o=0.12,f=-2.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 152:sc= -0.242 (180deg=-1.27!) USER MOD Single : A 60 THR OG1 : rot -42:sc= 1.15 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.261 19.847 34.637 1.00 0.00 N ATOM 2 CA GLY A 1 -24.960 20.624 33.449 1.00 0.00 C ATOM 3 C GLY A 1 -24.544 19.756 32.278 1.00 0.00 C ATOM 4 O GLY A 1 -23.536 20.024 31.626 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.540 20.486 35.408 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.040 19.189 34.433 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.419 19.308 34.922 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.836 21.209 33.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.162 21.332 33.674 1.00 0.00 H new ATOM 8 N SER A 2 -25.323 18.712 32.012 1.00 0.00 N ATOM 9 CA SER A 2 -25.027 17.798 30.915 1.00 0.00 C ATOM 10 C SER A 2 -25.123 18.513 29.571 1.00 0.00 C ATOM 11 O SER A 2 -26.217 18.755 29.061 1.00 0.00 O ATOM 12 CB SER A 2 -25.988 16.608 30.942 1.00 0.00 C ATOM 13 OG SER A 2 -25.617 15.675 31.943 1.00 0.00 O ATOM 0 H SER A 2 -26.163 18.478 32.541 1.00 0.00 H new ATOM 0 HA SER A 2 -24.007 17.436 31.042 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.003 16.960 31.127 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.993 16.118 29.968 1.00 0.00 H new ATOM 0 HG SER A 2 -26.248 14.925 31.941 1.00 0.00 H new ATOM 19 N SER A 3 -23.969 18.849 29.003 1.00 0.00 N ATOM 20 CA SER A 3 -23.922 19.541 27.720 1.00 0.00 C ATOM 21 C SER A 3 -24.308 18.601 26.582 1.00 0.00 C ATOM 22 O SER A 3 -25.269 18.850 25.856 1.00 0.00 O ATOM 23 CB SER A 3 -22.523 20.109 27.475 1.00 0.00 C ATOM 24 OG SER A 3 -21.530 19.113 27.648 1.00 0.00 O ATOM 0 H SER A 3 -23.055 18.653 29.411 1.00 0.00 H new ATOM 0 HA SER A 3 -24.639 20.361 27.750 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.464 20.514 26.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.337 20.935 28.161 1.00 0.00 H new ATOM 0 HG SER A 3 -20.645 19.501 27.484 1.00 0.00 H new ATOM 30 N GLY A 4 -23.550 17.519 26.433 1.00 0.00 N ATOM 31 CA GLY A 4 -23.828 16.557 25.382 1.00 0.00 C ATOM 32 C GLY A 4 -24.756 15.450 25.840 1.00 0.00 C ATOM 33 O GLY A 4 -25.158 15.408 27.003 1.00 0.00 O ATOM 0 H GLY A 4 -22.748 17.291 27.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.274 17.072 24.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.891 16.121 25.035 1.00 0.00 H new ATOM 37 N SER A 5 -25.100 14.551 24.923 1.00 0.00 N ATOM 38 CA SER A 5 -25.991 13.440 25.238 1.00 0.00 C ATOM 39 C SER A 5 -25.238 12.114 25.209 1.00 0.00 C ATOM 40 O SER A 5 -24.304 11.935 24.428 1.00 0.00 O ATOM 41 CB SER A 5 -27.157 13.399 24.248 1.00 0.00 C ATOM 42 OG SER A 5 -26.690 13.296 22.914 1.00 0.00 O ATOM 0 H SER A 5 -24.775 14.570 23.956 1.00 0.00 H new ATOM 0 HA SER A 5 -26.382 13.593 26.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.803 12.551 24.477 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.762 14.299 24.356 1.00 0.00 H new ATOM 0 HG SER A 5 -27.454 13.270 22.301 1.00 0.00 H new ATOM 48 N SER A 6 -25.651 11.187 26.068 1.00 0.00 N ATOM 49 CA SER A 6 -25.014 9.878 26.145 1.00 0.00 C ATOM 50 C SER A 6 -25.739 8.868 25.260 1.00 0.00 C ATOM 51 O SER A 6 -26.960 8.735 25.322 1.00 0.00 O ATOM 52 CB SER A 6 -24.993 9.382 27.592 1.00 0.00 C ATOM 53 OG SER A 6 -26.292 9.405 28.158 1.00 0.00 O ATOM 0 H SER A 6 -26.424 11.319 26.720 1.00 0.00 H new ATOM 0 HA SER A 6 -23.989 9.979 25.788 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.596 8.367 27.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.324 10.006 28.184 1.00 0.00 H new ATOM 0 HG SER A 6 -26.942 9.081 27.500 1.00 0.00 H new ATOM 59 N GLY A 7 -24.975 8.158 24.435 1.00 0.00 N ATOM 60 CA GLY A 7 -25.560 7.169 23.548 1.00 0.00 C ATOM 61 C GLY A 7 -24.932 7.184 22.169 1.00 0.00 C ATOM 62 O GLY A 7 -24.230 8.129 21.808 1.00 0.00 O ATOM 0 H GLY A 7 -23.962 8.250 24.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.443 6.178 23.986 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.630 7.354 23.458 1.00 0.00 H new ATOM 66 N HIS A 8 -25.184 6.133 21.394 1.00 0.00 N ATOM 67 CA HIS A 8 -24.637 6.028 20.046 1.00 0.00 C ATOM 68 C HIS A 8 -25.564 5.217 19.145 1.00 0.00 C ATOM 69 O HIS A 8 -26.401 4.455 19.627 1.00 0.00 O ATOM 70 CB HIS A 8 -23.251 5.384 20.084 1.00 0.00 C ATOM 71 CG HIS A 8 -22.373 5.915 21.175 1.00 0.00 C ATOM 72 ND1 HIS A 8 -22.598 5.663 22.512 1.00 0.00 N ATOM 73 CD2 HIS A 8 -21.263 6.688 21.121 1.00 0.00 C ATOM 74 CE1 HIS A 8 -21.665 6.259 23.233 1.00 0.00 C ATOM 75 NE2 HIS A 8 -20.842 6.888 22.413 1.00 0.00 N ATOM 0 H HIS A 8 -25.763 5.343 21.677 1.00 0.00 H new ATOM 0 HA HIS A 8 -24.550 7.034 19.636 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -23.363 4.307 20.211 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -22.760 5.542 19.124 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -20.795 7.075 20.228 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -21.588 6.236 24.310 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -20.027 7.433 22.694 1.00 0.00 H new ATOM 83 N GLU A 9 -25.407 5.388 17.836 1.00 0.00 N ATOM 84 CA GLU A 9 -26.232 4.673 16.870 1.00 0.00 C ATOM 85 C GLU A 9 -25.376 3.761 15.994 1.00 0.00 C ATOM 86 O GLU A 9 -24.287 4.139 15.566 1.00 0.00 O ATOM 87 CB GLU A 9 -27.003 5.662 15.993 1.00 0.00 C ATOM 88 CG GLU A 9 -28.318 5.111 15.467 1.00 0.00 C ATOM 89 CD GLU A 9 -29.358 6.193 15.247 1.00 0.00 C ATOM 90 OE1 GLU A 9 -30.019 6.590 16.229 1.00 0.00 O ATOM 91 OE2 GLU A 9 -29.508 6.644 14.092 1.00 0.00 O ATOM 0 H GLU A 9 -24.717 6.014 17.421 1.00 0.00 H new ATOM 0 HA GLU A 9 -26.942 4.058 17.422 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.202 6.566 16.568 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.377 5.952 15.149 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -28.139 4.588 14.527 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -28.707 4.376 16.171 1.00 0.00 H new ATOM 98 N GLU A 10 -25.879 2.558 15.734 1.00 0.00 N ATOM 99 CA GLU A 10 -25.160 1.592 14.912 1.00 0.00 C ATOM 100 C GLU A 10 -26.133 0.708 14.137 1.00 0.00 C ATOM 101 O GLU A 10 -27.291 0.550 14.523 1.00 0.00 O ATOM 102 CB GLU A 10 -24.249 0.725 15.783 1.00 0.00 C ATOM 103 CG GLU A 10 -25.001 -0.286 16.632 1.00 0.00 C ATOM 104 CD GLU A 10 -26.209 0.315 17.323 1.00 0.00 C ATOM 105 OE1 GLU A 10 -26.019 1.136 18.244 1.00 0.00 O ATOM 106 OE2 GLU A 10 -27.345 -0.035 16.940 1.00 0.00 O ATOM 0 H GLU A 10 -26.780 2.230 16.080 1.00 0.00 H new ATOM 0 HA GLU A 10 -24.549 2.144 14.198 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -23.544 0.196 15.142 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.663 1.371 16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -25.323 -1.115 16.002 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.326 -0.698 17.382 1.00 0.00 H new ATOM 113 N THR A 11 -25.653 0.132 13.038 1.00 0.00 N ATOM 114 CA THR A 11 -26.479 -0.735 12.207 1.00 0.00 C ATOM 115 C THR A 11 -25.619 -1.682 11.377 1.00 0.00 C ATOM 116 O THR A 11 -24.545 -1.308 10.907 1.00 0.00 O ATOM 117 CB THR A 11 -27.380 0.083 11.263 1.00 0.00 C ATOM 118 OG1 THR A 11 -28.232 0.946 12.025 1.00 0.00 O ATOM 119 CG2 THR A 11 -28.225 -0.833 10.392 1.00 0.00 C ATOM 0 H THR A 11 -24.697 0.251 12.704 1.00 0.00 H new ATOM 0 HA THR A 11 -27.107 -1.316 12.883 1.00 0.00 H new ATOM 0 HB THR A 11 -26.740 0.683 10.616 1.00 0.00 H new ATOM 0 HG1 THR A 11 -28.196 0.690 12.970 1.00 0.00 H new ATOM 0 HG21 THR A 11 -28.853 -0.232 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 11 -27.573 -1.468 9.792 1.00 0.00 H new ATOM 0 HG23 THR A 11 -28.856 -1.457 11.025 1.00 0.00 H new ATOM 127 N GLU A 12 -26.100 -2.908 11.200 1.00 0.00 N ATOM 128 CA GLU A 12 -25.374 -3.908 10.426 1.00 0.00 C ATOM 129 C GLU A 12 -26.331 -4.739 9.576 1.00 0.00 C ATOM 130 O GLU A 12 -27.541 -4.742 9.808 1.00 0.00 O ATOM 131 CB GLU A 12 -24.574 -4.824 11.355 1.00 0.00 C ATOM 132 CG GLU A 12 -23.516 -5.645 10.638 1.00 0.00 C ATOM 133 CD GLU A 12 -22.464 -6.193 11.582 1.00 0.00 C ATOM 134 OE1 GLU A 12 -21.528 -5.441 11.928 1.00 0.00 O ATOM 135 OE2 GLU A 12 -22.575 -7.373 11.976 1.00 0.00 O ATOM 0 H GLU A 12 -26.988 -3.233 11.582 1.00 0.00 H new ATOM 0 HA GLU A 12 -24.686 -3.385 9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -24.093 -4.218 12.123 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -25.261 -5.499 11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -23.996 -6.472 10.115 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -23.033 -5.027 9.881 1.00 0.00 H new ATOM 142 N CYS A 13 -25.781 -5.442 8.592 1.00 0.00 N ATOM 143 CA CYS A 13 -26.585 -6.276 7.706 1.00 0.00 C ATOM 144 C CYS A 13 -25.875 -7.591 7.405 1.00 0.00 C ATOM 145 O CYS A 13 -24.654 -7.706 7.517 1.00 0.00 O ATOM 146 CB CYS A 13 -26.884 -5.533 6.403 1.00 0.00 C ATOM 147 SG CYS A 13 -28.213 -4.314 6.536 1.00 0.00 S ATOM 0 H CYS A 13 -24.782 -5.451 8.388 1.00 0.00 H new ATOM 0 HA CYS A 13 -27.525 -6.499 8.211 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -25.977 -5.030 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.148 -6.260 5.635 1.00 0.00 H new ATOM 0 HG CYS A 13 -28.432 -4.046 7.789 1.00 0.00 H new ATOM 153 N PRO A 14 -26.655 -8.610 7.013 1.00 0.00 N ATOM 154 CA PRO A 14 -26.122 -9.936 6.688 1.00 0.00 C ATOM 155 C PRO A 14 -25.310 -9.934 5.398 1.00 0.00 C ATOM 156 O PRO A 14 -24.900 -10.988 4.909 1.00 0.00 O ATOM 157 CB PRO A 14 -27.380 -10.794 6.527 1.00 0.00 C ATOM 158 CG PRO A 14 -28.451 -9.829 6.149 1.00 0.00 C ATOM 159 CD PRO A 14 -28.118 -8.544 6.856 1.00 0.00 C ATOM 0 HA PRO A 14 -25.437 -10.299 7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -27.244 -11.556 5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -27.625 -11.315 7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -28.482 -9.684 5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -29.432 -10.197 6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -28.421 -7.674 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -28.623 -8.473 7.819 1.00 0.00 H new ATOM 167 N LEU A 15 -25.079 -8.745 4.851 1.00 0.00 N ATOM 168 CA LEU A 15 -24.314 -8.606 3.617 1.00 0.00 C ATOM 169 C LEU A 15 -22.895 -9.137 3.793 1.00 0.00 C ATOM 170 O LEU A 15 -22.400 -9.253 4.914 1.00 0.00 O ATOM 171 CB LEU A 15 -24.272 -7.140 3.182 1.00 0.00 C ATOM 172 CG LEU A 15 -25.303 -6.721 2.133 1.00 0.00 C ATOM 173 CD1 LEU A 15 -25.156 -7.561 0.874 1.00 0.00 C ATOM 174 CD2 LEU A 15 -26.713 -6.841 2.694 1.00 0.00 C ATOM 0 H LEU A 15 -25.411 -7.864 5.243 1.00 0.00 H new ATOM 0 HA LEU A 15 -24.809 -9.194 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -24.408 -6.516 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -23.277 -6.926 2.790 1.00 0.00 H new ATOM 0 HG LEU A 15 -25.124 -5.678 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -25.898 -7.248 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -24.157 -7.425 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -25.308 -8.612 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -27.434 -6.539 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -26.903 -7.875 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -26.814 -6.196 3.567 1.00 0.00 H new ATOM 186 N ARG A 16 -22.246 -9.457 2.678 1.00 0.00 N ATOM 187 CA ARG A 16 -20.883 -9.974 2.709 1.00 0.00 C ATOM 188 C ARG A 16 -19.891 -8.871 3.064 1.00 0.00 C ATOM 189 O ARG A 16 -20.166 -7.686 2.869 1.00 0.00 O ATOM 190 CB ARG A 16 -20.517 -10.589 1.357 1.00 0.00 C ATOM 191 CG ARG A 16 -21.376 -11.784 0.979 1.00 0.00 C ATOM 192 CD ARG A 16 -20.769 -13.086 1.479 1.00 0.00 C ATOM 193 NE ARG A 16 -21.190 -13.399 2.841 1.00 0.00 N ATOM 194 CZ ARG A 16 -21.223 -14.632 3.336 1.00 0.00 C ATOM 195 NH1 ARG A 16 -20.860 -15.661 2.583 1.00 0.00 N ATOM 196 NH2 ARG A 16 -21.618 -14.836 4.586 1.00 0.00 N ATOM 0 H ARG A 16 -22.642 -9.367 1.742 1.00 0.00 H new ATOM 0 HA ARG A 16 -20.831 -10.746 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.610 -9.827 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.471 -10.896 1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.375 -11.662 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -21.487 -11.825 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.059 -13.900 0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -19.682 -13.016 1.443 1.00 0.00 H new ATOM 0 HE ARG A 16 -21.475 -12.629 3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.555 -15.507 1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -20.886 -16.607 2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -21.897 -14.046 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -21.643 -15.783 4.965 1.00 0.00 H new ATOM 210 N LEU A 17 -18.735 -9.267 3.587 1.00 0.00 N ATOM 211 CA LEU A 17 -17.701 -8.312 3.970 1.00 0.00 C ATOM 212 C LEU A 17 -16.382 -8.631 3.274 1.00 0.00 C ATOM 213 O LEU A 17 -16.112 -9.780 2.928 1.00 0.00 O ATOM 214 CB LEU A 17 -17.506 -8.323 5.487 1.00 0.00 C ATOM 215 CG LEU A 17 -18.779 -8.219 6.328 1.00 0.00 C ATOM 216 CD1 LEU A 17 -18.585 -8.895 7.676 1.00 0.00 C ATOM 217 CD2 LEU A 17 -19.178 -6.762 6.513 1.00 0.00 C ATOM 0 H LEU A 17 -18.491 -10.243 3.755 1.00 0.00 H new ATOM 0 HA LEU A 17 -18.024 -7.319 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -16.988 -9.242 5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -16.849 -7.496 5.755 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.583 -8.731 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -19.501 -8.811 8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -18.347 -9.948 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -17.768 -8.412 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -20.086 -6.707 7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -18.375 -6.226 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -19.359 -6.308 5.539 1.00 0.00 H new ATOM 229 N ALA A 18 -15.562 -7.604 3.074 1.00 0.00 N ATOM 230 CA ALA A 18 -14.269 -7.775 2.423 1.00 0.00 C ATOM 231 C ALA A 18 -13.146 -7.185 3.270 1.00 0.00 C ATOM 232 O ALA A 18 -13.303 -6.125 3.875 1.00 0.00 O ATOM 233 CB ALA A 18 -14.283 -7.135 1.043 1.00 0.00 C ATOM 0 H ALA A 18 -15.770 -6.645 3.353 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.084 -8.844 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.311 -7.271 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -15.053 -7.605 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.495 -6.070 1.138 1.00 0.00 H new ATOM 239 N VAL A 19 -12.013 -7.879 3.309 1.00 0.00 N ATOM 240 CA VAL A 19 -10.863 -7.424 4.082 1.00 0.00 C ATOM 241 C VAL A 19 -9.810 -6.791 3.179 1.00 0.00 C ATOM 242 O VAL A 19 -9.626 -7.208 2.035 1.00 0.00 O ATOM 243 CB VAL A 19 -10.221 -8.582 4.868 1.00 0.00 C ATOM 244 CG1 VAL A 19 -8.996 -8.097 5.627 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.233 -9.206 5.817 1.00 0.00 C ATOM 0 H VAL A 19 -11.867 -8.759 2.814 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.230 -6.677 4.786 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.901 -9.346 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.556 -8.929 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.265 -7.700 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.288 -7.314 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.763 -10.023 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.585 -8.452 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.078 -9.591 5.246 1.00 0.00 H new ATOM 255 N CYS A 20 -9.120 -5.783 3.700 1.00 0.00 N ATOM 256 CA CYS A 20 -8.084 -5.092 2.942 1.00 0.00 C ATOM 257 C CYS A 20 -6.807 -5.926 2.881 1.00 0.00 C ATOM 258 O CYS A 20 -6.611 -6.837 3.684 1.00 0.00 O ATOM 259 CB CYS A 20 -7.786 -3.729 3.571 1.00 0.00 C ATOM 260 SG CYS A 20 -6.757 -2.641 2.534 1.00 0.00 S ATOM 0 H CYS A 20 -9.260 -5.426 4.645 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.450 -4.944 1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.729 -3.225 3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.284 -3.883 4.526 1.00 0.00 H new ATOM 265 N GLN A 21 -5.944 -5.605 1.923 1.00 0.00 N ATOM 266 CA GLN A 21 -4.686 -6.325 1.756 1.00 0.00 C ATOM 267 C GLN A 21 -3.525 -5.538 2.355 1.00 0.00 C ATOM 268 O GLN A 21 -2.472 -6.100 2.659 1.00 0.00 O ATOM 269 CB GLN A 21 -4.423 -6.598 0.274 1.00 0.00 C ATOM 270 CG GLN A 21 -4.304 -5.336 -0.565 1.00 0.00 C ATOM 271 CD GLN A 21 -4.136 -5.631 -2.042 1.00 0.00 C ATOM 272 OE1 GLN A 21 -4.954 -6.326 -2.645 1.00 0.00 O ATOM 273 NE2 GLN A 21 -3.071 -5.103 -2.634 1.00 0.00 N ATOM 0 H GLN A 21 -6.092 -4.852 1.251 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.767 -7.275 2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.504 -7.177 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.231 -7.213 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.193 -4.723 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.453 -4.751 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.419 -4.533 -2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.905 -5.267 -3.627 1.00 0.00 H new ATOM 282 N HIS A 22 -3.724 -4.234 2.522 1.00 0.00 N ATOM 283 CA HIS A 22 -2.693 -3.370 3.085 1.00 0.00 C ATOM 284 C HIS A 22 -2.868 -3.227 4.593 1.00 0.00 C ATOM 285 O HIS A 22 -1.970 -3.558 5.368 1.00 0.00 O ATOM 286 CB HIS A 22 -2.734 -1.993 2.422 1.00 0.00 C ATOM 287 CG HIS A 22 -2.922 -2.048 0.937 1.00 0.00 C ATOM 288 ND1 HIS A 22 -1.870 -2.050 0.045 1.00 0.00 N ATOM 289 CD2 HIS A 22 -4.048 -2.106 0.188 1.00 0.00 C ATOM 290 CE1 HIS A 22 -2.341 -2.104 -1.188 1.00 0.00 C ATOM 291 NE2 HIS A 22 -3.660 -2.140 -1.129 1.00 0.00 N ATOM 0 H HIS A 22 -4.589 -3.753 2.276 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.724 -3.829 2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -3.545 -1.412 2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.807 -1.465 2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.063 -2.122 0.557 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.748 -2.117 -2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.288 -2.186 -1.931 1.00 0.00 H new ATOM 299 N CYS A 23 -4.030 -2.730 5.005 1.00 0.00 N ATOM 300 CA CYS A 23 -4.323 -2.542 6.420 1.00 0.00 C ATOM 301 C CYS A 23 -4.855 -3.830 7.042 1.00 0.00 C ATOM 302 O CYS A 23 -4.696 -4.065 8.240 1.00 0.00 O ATOM 303 CB CYS A 23 -5.341 -1.415 6.606 1.00 0.00 C ATOM 304 SG CYS A 23 -7.042 -1.864 6.132 1.00 0.00 S ATOM 0 H CYS A 23 -4.784 -2.450 4.378 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.395 -2.272 6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.336 -1.104 7.651 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.026 -0.554 6.016 1.00 0.00 H new ATOM 309 N ASP A 24 -5.487 -4.660 6.219 1.00 0.00 N ATOM 310 CA ASP A 24 -6.041 -5.925 6.687 1.00 0.00 C ATOM 311 C ASP A 24 -7.127 -5.689 7.733 1.00 0.00 C ATOM 312 O ASP A 24 -7.181 -6.378 8.753 1.00 0.00 O ATOM 313 CB ASP A 24 -4.936 -6.806 7.271 1.00 0.00 C ATOM 314 CG ASP A 24 -5.424 -8.201 7.607 1.00 0.00 C ATOM 315 OD1 ASP A 24 -5.888 -8.906 6.686 1.00 0.00 O ATOM 316 OD2 ASP A 24 -5.342 -8.589 8.791 1.00 0.00 O ATOM 0 H ASP A 24 -5.628 -4.479 5.225 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.488 -6.435 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.114 -6.874 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.539 -6.337 8.171 1.00 0.00 H new ATOM 321 N LEU A 25 -7.988 -4.712 7.473 1.00 0.00 N ATOM 322 CA LEU A 25 -9.073 -4.384 8.392 1.00 0.00 C ATOM 323 C LEU A 25 -10.416 -4.849 7.838 1.00 0.00 C ATOM 324 O LEU A 25 -10.586 -4.977 6.626 1.00 0.00 O ATOM 325 CB LEU A 25 -9.109 -2.877 8.652 1.00 0.00 C ATOM 326 CG LEU A 25 -10.203 -2.386 9.600 1.00 0.00 C ATOM 327 CD1 LEU A 25 -9.906 -2.819 11.027 1.00 0.00 C ATOM 328 CD2 LEU A 25 -10.340 -0.872 9.518 1.00 0.00 C ATOM 0 H LEU A 25 -7.956 -4.133 6.634 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.890 -4.904 9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.143 -2.575 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.228 -2.366 7.696 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.149 -2.834 9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.695 -2.461 11.688 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.859 -3.907 11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.950 -2.400 11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.123 -0.540 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.395 -0.406 9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.600 -0.585 8.499 1.00 0.00 H new ATOM 340 N GLU A 26 -11.366 -5.098 8.734 1.00 0.00 N ATOM 341 CA GLU A 26 -12.694 -5.547 8.333 1.00 0.00 C ATOM 342 C GLU A 26 -13.539 -4.375 7.842 1.00 0.00 C ATOM 343 O GLU A 26 -13.757 -3.404 8.567 1.00 0.00 O ATOM 344 CB GLU A 26 -13.396 -6.241 9.502 1.00 0.00 C ATOM 345 CG GLU A 26 -14.509 -7.182 9.072 1.00 0.00 C ATOM 346 CD GLU A 26 -14.874 -8.185 10.149 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.951 -8.791 10.732 1.00 0.00 O ATOM 348 OE2 GLU A 26 -16.082 -8.363 10.410 1.00 0.00 O ATOM 0 H GLU A 26 -11.241 -4.997 9.741 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.578 -6.257 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.659 -6.802 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.809 -5.484 10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.392 -6.599 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.201 -7.716 8.173 1.00 0.00 H new ATOM 355 N LEU A 27 -14.011 -4.473 6.604 1.00 0.00 N ATOM 356 CA LEU A 27 -14.832 -3.422 6.013 1.00 0.00 C ATOM 357 C LEU A 27 -15.864 -4.010 5.056 1.00 0.00 C ATOM 358 O LEU A 27 -15.793 -5.185 4.696 1.00 0.00 O ATOM 359 CB LEU A 27 -13.951 -2.414 5.274 1.00 0.00 C ATOM 360 CG LEU A 27 -13.403 -1.259 6.113 1.00 0.00 C ATOM 361 CD1 LEU A 27 -12.044 -1.619 6.693 1.00 0.00 C ATOM 362 CD2 LEU A 27 -13.308 0.009 5.278 1.00 0.00 C ATOM 0 H LEU A 27 -13.839 -5.269 5.990 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.360 -2.912 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.109 -2.950 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.526 -1.996 4.448 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.092 -1.076 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.669 -0.785 7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.141 -2.501 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.346 -1.829 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.916 0.820 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.641 -0.161 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.298 0.278 4.911 1.00 0.00 H new ATOM 374 N SER A 28 -16.822 -3.185 4.647 1.00 0.00 N ATOM 375 CA SER A 28 -17.870 -3.623 3.733 1.00 0.00 C ATOM 376 C SER A 28 -17.299 -3.906 2.347 1.00 0.00 C ATOM 377 O SER A 28 -16.261 -3.362 1.969 1.00 0.00 O ATOM 378 CB SER A 28 -18.969 -2.563 3.637 1.00 0.00 C ATOM 379 OG SER A 28 -20.126 -3.083 3.004 1.00 0.00 O ATOM 0 H SER A 28 -16.894 -2.209 4.934 1.00 0.00 H new ATOM 0 HA SER A 28 -18.298 -4.545 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 28 -19.225 -2.209 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.601 -1.703 3.078 1.00 0.00 H new ATOM 0 HG SER A 28 -20.814 -2.387 2.957 1.00 0.00 H new ATOM 385 N ILE A 29 -17.984 -4.761 1.595 1.00 0.00 N ATOM 386 CA ILE A 29 -17.546 -5.116 0.251 1.00 0.00 C ATOM 387 C ILE A 29 -17.739 -3.953 -0.716 1.00 0.00 C ATOM 388 O ILE A 29 -16.880 -3.678 -1.554 1.00 0.00 O ATOM 389 CB ILE A 29 -18.306 -6.345 -0.283 1.00 0.00 C ATOM 390 CG1 ILE A 29 -17.787 -6.730 -1.670 1.00 0.00 C ATOM 391 CG2 ILE A 29 -19.800 -6.063 -0.330 1.00 0.00 C ATOM 392 CD1 ILE A 29 -17.987 -8.191 -2.006 1.00 0.00 C ATOM 0 H ILE A 29 -18.844 -5.221 1.894 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.485 -5.356 0.319 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.135 -7.183 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.292 -6.121 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.725 -6.494 -1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.324 -6.940 -0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -20.158 -5.832 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -19.990 -5.215 -0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.596 -8.392 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -17.459 -8.807 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.051 -8.428 -1.979 1.00 0.00 H new ATOM 404 N LEU A 30 -18.872 -3.271 -0.592 1.00 0.00 N ATOM 405 CA LEU A 30 -19.179 -2.134 -1.454 1.00 0.00 C ATOM 406 C LEU A 30 -18.196 -0.992 -1.219 1.00 0.00 C ATOM 407 O LEU A 30 -17.726 -0.359 -2.164 1.00 0.00 O ATOM 408 CB LEU A 30 -20.609 -1.651 -1.204 1.00 0.00 C ATOM 409 CG LEU A 30 -21.704 -2.714 -1.305 1.00 0.00 C ATOM 410 CD1 LEU A 30 -23.043 -2.145 -0.863 1.00 0.00 C ATOM 411 CD2 LEU A 30 -21.795 -3.253 -2.725 1.00 0.00 C ATOM 0 H LEU A 30 -19.593 -3.485 0.097 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.088 -2.460 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.652 -1.207 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.833 -0.858 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.445 -3.538 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -23.810 -2.916 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -22.972 -1.808 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -23.309 -1.302 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -22.579 -4.008 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -22.030 -2.438 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.841 -3.700 -3.006 1.00 0.00 H new ATOM 423 N LYS A 31 -17.888 -0.734 0.048 1.00 0.00 N ATOM 424 CA LYS A 31 -16.958 0.329 0.409 1.00 0.00 C ATOM 425 C LYS A 31 -15.517 -0.100 0.155 1.00 0.00 C ATOM 426 O LYS A 31 -14.698 0.689 -0.321 1.00 0.00 O ATOM 427 CB LYS A 31 -17.136 0.713 1.879 1.00 0.00 C ATOM 428 CG LYS A 31 -18.387 1.533 2.147 1.00 0.00 C ATOM 429 CD LYS A 31 -18.132 3.018 1.951 1.00 0.00 C ATOM 430 CE LYS A 31 -17.357 3.609 3.119 1.00 0.00 C ATOM 431 NZ LYS A 31 -18.210 3.765 4.329 1.00 0.00 N ATOM 0 H LYS A 31 -18.270 -1.247 0.842 1.00 0.00 H new ATOM 0 HA LYS A 31 -17.176 1.196 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.171 -0.195 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.264 1.279 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.186 1.209 1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -18.730 1.353 3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.575 3.174 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.082 3.540 1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.508 2.967 3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.953 4.580 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.706 4.336 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.098 4.240 4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.422 2.828 4.727 1.00 0.00 H new ATOM 445 N LEU A 32 -15.212 -1.353 0.473 1.00 0.00 N ATOM 446 CA LEU A 32 -13.869 -1.887 0.278 1.00 0.00 C ATOM 447 C LEU A 32 -13.217 -1.282 -0.960 1.00 0.00 C ATOM 448 O LEU A 32 -12.073 -0.827 -0.914 1.00 0.00 O ATOM 449 CB LEU A 32 -13.918 -3.410 0.150 1.00 0.00 C ATOM 450 CG LEU A 32 -12.672 -4.075 -0.437 1.00 0.00 C ATOM 451 CD1 LEU A 32 -11.621 -4.284 0.642 1.00 0.00 C ATOM 452 CD2 LEU A 32 -13.034 -5.399 -1.095 1.00 0.00 C ATOM 0 H LEU A 32 -15.877 -2.018 0.867 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.269 -1.621 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.099 -3.832 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.774 -3.675 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.256 -3.416 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.742 -4.758 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.340 -3.321 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.027 -4.923 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.135 -5.858 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.475 -6.065 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.752 -5.223 -1.896 1.00 0.00 H new ATOM 464 N LYS A 33 -13.952 -1.276 -2.067 1.00 0.00 N ATOM 465 CA LYS A 33 -13.448 -0.724 -3.319 1.00 0.00 C ATOM 466 C LYS A 33 -12.894 0.682 -3.109 1.00 0.00 C ATOM 467 O LYS A 33 -11.734 0.954 -3.417 1.00 0.00 O ATOM 468 CB LYS A 33 -14.558 -0.694 -4.371 1.00 0.00 C ATOM 469 CG LYS A 33 -14.043 -0.711 -5.800 1.00 0.00 C ATOM 470 CD LYS A 33 -13.653 0.681 -6.268 1.00 0.00 C ATOM 471 CE LYS A 33 -14.857 1.454 -6.784 1.00 0.00 C ATOM 472 NZ LYS A 33 -15.073 1.236 -8.241 1.00 0.00 N ATOM 0 H LYS A 33 -14.900 -1.648 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.640 -1.366 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.214 -1.552 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.164 0.200 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.181 -1.374 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.810 -1.116 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.194 1.228 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.904 0.604 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.748 1.148 -6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.715 2.518 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.902 1.780 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.233 1.551 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.234 0.224 -8.421 1.00 0.00 H new ATOM 486 N GLU A 34 -13.731 1.570 -2.582 1.00 0.00 N ATOM 487 CA GLU A 34 -13.324 2.948 -2.331 1.00 0.00 C ATOM 488 C GLU A 34 -12.244 3.008 -1.254 1.00 0.00 C ATOM 489 O GLU A 34 -11.213 3.659 -1.429 1.00 0.00 O ATOM 490 CB GLU A 34 -14.529 3.790 -1.907 1.00 0.00 C ATOM 491 CG GLU A 34 -15.632 3.843 -2.951 1.00 0.00 C ATOM 492 CD GLU A 34 -16.656 4.924 -2.664 1.00 0.00 C ATOM 493 OE1 GLU A 34 -17.305 4.859 -1.599 1.00 0.00 O ATOM 494 OE2 GLU A 34 -16.808 5.835 -3.504 1.00 0.00 O ATOM 0 H GLU A 34 -14.694 1.360 -2.321 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.914 3.353 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.936 3.385 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.195 4.805 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.190 4.018 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.133 2.876 -2.994 1.00 0.00 H new ATOM 501 N HIS A 35 -12.488 2.325 -0.140 1.00 0.00 N ATOM 502 CA HIS A 35 -11.537 2.300 0.965 1.00 0.00 C ATOM 503 C HIS A 35 -10.131 1.979 0.466 1.00 0.00 C ATOM 504 O HIS A 35 -9.206 2.771 0.639 1.00 0.00 O ATOM 505 CB HIS A 35 -11.966 1.271 2.012 1.00 0.00 C ATOM 506 CG HIS A 35 -10.830 0.740 2.830 1.00 0.00 C ATOM 507 ND1 HIS A 35 -10.288 1.423 3.898 1.00 0.00 N ATOM 508 CD2 HIS A 35 -10.133 -0.417 2.733 1.00 0.00 C ATOM 509 CE1 HIS A 35 -9.306 0.710 4.422 1.00 0.00 C ATOM 510 NE2 HIS A 35 -9.192 -0.412 3.733 1.00 0.00 N ATOM 0 H HIS A 35 -13.336 1.782 0.021 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.524 3.289 1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.700 1.726 2.677 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.462 0.440 1.511 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -10.597 2.336 4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.288 -1.199 2.004 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.700 0.996 5.269 1.00 0.00 H new ATOM 518 N GLU A 36 -9.980 0.812 -0.154 1.00 0.00 N ATOM 519 CA GLU A 36 -8.687 0.387 -0.677 1.00 0.00 C ATOM 520 C GLU A 36 -8.027 1.509 -1.473 1.00 0.00 C ATOM 521 O GLU A 36 -6.873 1.862 -1.230 1.00 0.00 O ATOM 522 CB GLU A 36 -8.851 -0.852 -1.559 1.00 0.00 C ATOM 523 CG GLU A 36 -8.949 -2.149 -0.774 1.00 0.00 C ATOM 524 CD GLU A 36 -9.048 -3.368 -1.671 1.00 0.00 C ATOM 525 OE1 GLU A 36 -9.626 -3.248 -2.772 1.00 0.00 O ATOM 526 OE2 GLU A 36 -8.549 -4.441 -1.273 1.00 0.00 O ATOM 0 H GLU A 36 -10.737 0.145 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.045 0.139 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.747 -0.738 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.005 -0.915 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.075 -2.246 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.822 -2.110 -0.123 1.00 0.00 H new ATOM 533 N ASP A 37 -8.768 2.064 -2.426 1.00 0.00 N ATOM 534 CA ASP A 37 -8.256 3.146 -3.259 1.00 0.00 C ATOM 535 C ASP A 37 -7.378 4.091 -2.444 1.00 0.00 C ATOM 536 O ASP A 37 -6.247 4.390 -2.828 1.00 0.00 O ATOM 537 CB ASP A 37 -9.412 3.923 -3.891 1.00 0.00 C ATOM 538 CG ASP A 37 -8.934 4.980 -4.867 1.00 0.00 C ATOM 539 OD1 ASP A 37 -8.001 5.733 -4.517 1.00 0.00 O ATOM 540 OD2 ASP A 37 -9.493 5.055 -5.981 1.00 0.00 O ATOM 0 H ASP A 37 -9.725 1.783 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.649 2.706 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.073 3.228 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.000 4.397 -3.105 1.00 0.00 H new ATOM 545 N TYR A 38 -7.906 4.558 -1.319 1.00 0.00 N ATOM 546 CA TYR A 38 -7.172 5.472 -0.452 1.00 0.00 C ATOM 547 C TYR A 38 -6.113 4.726 0.354 1.00 0.00 C ATOM 548 O TYR A 38 -4.946 5.118 0.381 1.00 0.00 O ATOM 549 CB TYR A 38 -8.134 6.193 0.495 1.00 0.00 C ATOM 550 CG TYR A 38 -7.439 7.077 1.506 1.00 0.00 C ATOM 551 CD1 TYR A 38 -6.544 8.060 1.101 1.00 0.00 C ATOM 552 CD2 TYR A 38 -7.675 6.927 2.867 1.00 0.00 C ATOM 553 CE1 TYR A 38 -5.906 8.869 2.021 1.00 0.00 C ATOM 554 CE2 TYR A 38 -7.043 7.733 3.795 1.00 0.00 C ATOM 555 CZ TYR A 38 -6.160 8.701 3.367 1.00 0.00 C ATOM 556 OH TYR A 38 -5.527 9.505 4.288 1.00 0.00 O ATOM 0 H TYR A 38 -8.840 4.319 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.672 6.208 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.823 6.800 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.733 5.452 1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.344 8.194 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.364 6.168 3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.213 9.628 1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.240 7.605 4.849 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.816 9.258 5.191 1.00 0.00 H new ATOM 566 N CYS A 39 -6.528 3.647 1.009 1.00 0.00 N ATOM 567 CA CYS A 39 -5.618 2.843 1.815 1.00 0.00 C ATOM 568 C CYS A 39 -4.263 2.700 1.127 1.00 0.00 C ATOM 569 O CYS A 39 -3.218 2.909 1.741 1.00 0.00 O ATOM 570 CB CYS A 39 -6.218 1.460 2.075 1.00 0.00 C ATOM 571 SG CYS A 39 -5.705 0.712 3.655 1.00 0.00 S ATOM 0 H CYS A 39 -7.490 3.309 0.997 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.471 3.352 2.767 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.305 1.538 2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.934 0.794 1.261 1.00 0.00 H new ATOM 576 N GLY A 40 -4.291 2.343 -0.154 1.00 0.00 N ATOM 577 CA GLY A 40 -3.060 2.178 -0.905 1.00 0.00 C ATOM 578 C GLY A 40 -2.444 3.503 -1.306 1.00 0.00 C ATOM 579 O GLY A 40 -1.248 3.581 -1.585 1.00 0.00 O ATOM 0 H GLY A 40 -5.144 2.165 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.345 1.615 -0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.260 1.588 -1.800 1.00 0.00 H new ATOM 583 N ALA A 41 -3.263 4.550 -1.338 1.00 0.00 N ATOM 584 CA ALA A 41 -2.792 5.878 -1.708 1.00 0.00 C ATOM 585 C ALA A 41 -2.220 6.614 -0.501 1.00 0.00 C ATOM 586 O ALA A 41 -2.069 7.835 -0.520 1.00 0.00 O ATOM 587 CB ALA A 41 -3.921 6.684 -2.332 1.00 0.00 C ATOM 0 H ALA A 41 -4.256 4.503 -1.112 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.994 5.761 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.554 7.674 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.282 6.173 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.737 6.783 -1.616 1.00 0.00 H new ATOM 593 N ARG A 42 -1.902 5.862 0.549 1.00 0.00 N ATOM 594 CA ARG A 42 -1.349 6.444 1.766 1.00 0.00 C ATOM 595 C ARG A 42 0.175 6.495 1.699 1.00 0.00 C ATOM 596 O ARG A 42 0.800 5.754 0.939 1.00 0.00 O ATOM 597 CB ARG A 42 -1.789 5.637 2.988 1.00 0.00 C ATOM 598 CG ARG A 42 -3.294 5.628 3.202 1.00 0.00 C ATOM 599 CD ARG A 42 -3.680 4.792 4.413 1.00 0.00 C ATOM 600 NE ARG A 42 -3.636 5.567 5.649 1.00 0.00 N ATOM 601 CZ ARG A 42 -3.995 5.083 6.833 1.00 0.00 C ATOM 602 NH1 ARG A 42 -4.422 3.833 6.940 1.00 0.00 N ATOM 603 NH2 ARG A 42 -3.927 5.851 7.913 1.00 0.00 N ATOM 0 H ARG A 42 -2.018 4.849 0.581 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.727 7.462 1.857 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.440 4.610 2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.307 6.046 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.650 6.650 3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.787 5.233 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.684 4.391 4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.005 3.940 4.495 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.312 6.533 5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.476 3.240 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.697 3.464 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.599 6.814 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.203 5.479 8.822 1.00 0.00 H new ATOM 617 N THR A 43 0.768 7.375 2.500 1.00 0.00 N ATOM 618 CA THR A 43 2.218 7.525 2.530 1.00 0.00 C ATOM 619 C THR A 43 2.774 7.208 3.914 1.00 0.00 C ATOM 620 O THR A 43 2.180 7.571 4.929 1.00 0.00 O ATOM 621 CB THR A 43 2.644 8.950 2.133 1.00 0.00 C ATOM 622 OG1 THR A 43 1.990 9.909 2.971 1.00 0.00 O ATOM 623 CG2 THR A 43 2.306 9.229 0.676 1.00 0.00 C ATOM 0 H THR A 43 0.267 7.995 3.137 1.00 0.00 H new ATOM 0 HA THR A 43 2.624 6.818 1.807 1.00 0.00 H new ATOM 0 HB THR A 43 3.723 9.032 2.262 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.268 10.813 2.713 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.616 10.242 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.828 8.516 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.231 9.130 0.526 1.00 0.00 H new ATOM 631 N GLU A 44 3.916 6.529 3.946 1.00 0.00 N ATOM 632 CA GLU A 44 4.551 6.163 5.207 1.00 0.00 C ATOM 633 C GLU A 44 6.046 6.469 5.172 1.00 0.00 C ATOM 634 O GLU A 44 6.747 6.087 4.234 1.00 0.00 O ATOM 635 CB GLU A 44 4.330 4.679 5.504 1.00 0.00 C ATOM 636 CG GLU A 44 5.040 3.751 4.532 1.00 0.00 C ATOM 637 CD GLU A 44 4.920 2.292 4.926 1.00 0.00 C ATOM 638 OE1 GLU A 44 3.799 1.746 4.847 1.00 0.00 O ATOM 639 OE2 GLU A 44 5.947 1.695 5.313 1.00 0.00 O ATOM 0 H GLU A 44 4.420 6.221 3.114 1.00 0.00 H new ATOM 0 HA GLU A 44 4.094 6.756 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.675 4.464 6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.261 4.468 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.624 3.889 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.094 4.024 4.479 1.00 0.00 H new ATOM 646 N LEU A 45 6.527 7.160 6.199 1.00 0.00 N ATOM 647 CA LEU A 45 7.938 7.518 6.287 1.00 0.00 C ATOM 648 C LEU A 45 8.802 6.279 6.504 1.00 0.00 C ATOM 649 O LEU A 45 8.455 5.397 7.290 1.00 0.00 O ATOM 650 CB LEU A 45 8.162 8.515 7.425 1.00 0.00 C ATOM 651 CG LEU A 45 9.368 9.444 7.276 1.00 0.00 C ATOM 652 CD1 LEU A 45 10.655 8.704 7.602 1.00 0.00 C ATOM 653 CD2 LEU A 45 9.424 10.023 5.870 1.00 0.00 C ATOM 0 H LEU A 45 5.960 7.484 6.983 1.00 0.00 H new ATOM 0 HA LEU A 45 8.229 7.981 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.266 9.128 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.272 7.956 8.354 1.00 0.00 H new ATOM 0 HG LEU A 45 9.258 10.267 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.502 9.381 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.615 8.339 8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.772 7.861 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.288 10.682 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.510 9.213 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.514 10.590 5.674 1.00 0.00 H new ATOM 665 N CYS A 46 9.930 6.221 5.804 1.00 0.00 N ATOM 666 CA CYS A 46 10.845 5.092 5.921 1.00 0.00 C ATOM 667 C CYS A 46 11.979 5.409 6.892 1.00 0.00 C ATOM 668 O CYS A 46 12.397 6.559 7.021 1.00 0.00 O ATOM 669 CB CYS A 46 11.419 4.730 4.550 1.00 0.00 C ATOM 670 SG CYS A 46 12.483 3.251 4.555 1.00 0.00 S ATOM 0 H CYS A 46 10.232 6.943 5.150 1.00 0.00 H new ATOM 0 HA CYS A 46 10.285 4.241 6.309 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.595 4.569 3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.994 5.576 4.174 1.00 0.00 H new ATOM 675 N GLY A 47 12.473 4.379 7.572 1.00 0.00 N ATOM 676 CA GLY A 47 13.554 4.568 8.522 1.00 0.00 C ATOM 677 C GLY A 47 14.920 4.413 7.885 1.00 0.00 C ATOM 678 O GLY A 47 15.911 4.940 8.388 1.00 0.00 O ATOM 0 H GLY A 47 12.144 3.418 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.474 5.560 8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.451 3.847 9.333 1.00 0.00 H new ATOM 682 N ASN A 48 14.974 3.686 6.773 1.00 0.00 N ATOM 683 CA ASN A 48 16.230 3.461 6.067 1.00 0.00 C ATOM 684 C ASN A 48 16.672 4.721 5.329 1.00 0.00 C ATOM 685 O ASN A 48 17.716 5.298 5.634 1.00 0.00 O ATOM 686 CB ASN A 48 16.083 2.302 5.079 1.00 0.00 C ATOM 687 CG ASN A 48 15.531 1.050 5.733 1.00 0.00 C ATOM 688 OD1 ASN A 48 15.272 1.028 6.937 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.349 0.000 4.941 1.00 0.00 N ATOM 0 H ASN A 48 14.163 3.243 6.342 1.00 0.00 H new ATOM 0 HA ASN A 48 16.992 3.207 6.804 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.424 2.604 4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.054 2.080 4.637 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.981 -0.870 5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.577 0.064 3.949 1.00 0.00 H new ATOM 696 N CYS A 49 15.870 5.142 4.356 1.00 0.00 N ATOM 697 CA CYS A 49 16.177 6.333 3.573 1.00 0.00 C ATOM 698 C CYS A 49 15.675 7.590 4.277 1.00 0.00 C ATOM 699 O CYS A 49 16.433 8.534 4.500 1.00 0.00 O ATOM 700 CB CYS A 49 15.551 6.229 2.181 1.00 0.00 C ATOM 701 SG CYS A 49 13.805 5.709 2.188 1.00 0.00 S ATOM 0 H CYS A 49 15.002 4.676 4.091 1.00 0.00 H new ATOM 0 HA CYS A 49 17.260 6.403 3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 49 15.629 7.197 1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 49 16.128 5.520 1.587 1.00 0.00 H new ATOM 706 N GLY A 50 14.392 7.595 4.624 1.00 0.00 N ATOM 707 CA GLY A 50 13.810 8.741 5.298 1.00 0.00 C ATOM 708 C GLY A 50 13.024 9.631 4.356 1.00 0.00 C ATOM 709 O GLY A 50 13.088 10.857 4.451 1.00 0.00 O ATOM 0 H GLY A 50 13.745 6.826 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.154 8.394 6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.603 9.324 5.767 1.00 0.00 H new ATOM 713 N ARG A 51 12.281 9.014 3.444 1.00 0.00 N ATOM 714 CA ARG A 51 11.481 9.758 2.478 1.00 0.00 C ATOM 715 C ARG A 51 10.036 9.270 2.478 1.00 0.00 C ATOM 716 O ARG A 51 9.719 8.236 3.064 1.00 0.00 O ATOM 717 CB ARG A 51 12.077 9.620 1.076 1.00 0.00 C ATOM 718 CG ARG A 51 13.529 10.062 0.985 1.00 0.00 C ATOM 719 CD ARG A 51 13.939 10.335 -0.454 1.00 0.00 C ATOM 720 NE ARG A 51 15.215 11.040 -0.534 1.00 0.00 N ATOM 721 CZ ARG A 51 15.332 12.361 -0.457 1.00 0.00 C ATOM 722 NH1 ARG A 51 14.254 13.116 -0.298 1.00 0.00 N ATOM 723 NH2 ARG A 51 16.528 12.929 -0.539 1.00 0.00 N ATOM 0 H ARG A 51 12.216 8.000 3.353 1.00 0.00 H new ATOM 0 HA ARG A 51 11.492 10.809 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.002 8.580 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.482 10.209 0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.675 10.962 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.173 9.290 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.011 9.392 -0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.166 10.926 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 51 16.064 10.488 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.333 12.683 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.346 14.130 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.360 12.351 -0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.616 13.943 -0.480 1.00 0.00 H new ATOM 737 N ASN A 52 9.162 10.023 1.817 1.00 0.00 N ATOM 738 CA ASN A 52 7.750 9.668 1.742 1.00 0.00 C ATOM 739 C ASN A 52 7.471 8.804 0.516 1.00 0.00 C ATOM 740 O ASN A 52 7.726 9.213 -0.617 1.00 0.00 O ATOM 741 CB ASN A 52 6.887 10.931 1.697 1.00 0.00 C ATOM 742 CG ASN A 52 7.598 12.094 1.032 1.00 0.00 C ATOM 743 OD1 ASN A 52 8.369 11.908 0.091 1.00 0.00 O ATOM 744 ND2 ASN A 52 7.342 13.301 1.521 1.00 0.00 N ATOM 0 H ASN A 52 9.407 10.883 1.326 1.00 0.00 H new ATOM 0 HA ASN A 52 7.497 9.095 2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.963 10.718 1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.607 11.213 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.792 14.122 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.695 13.408 2.303 1.00 0.00 H new ATOM 751 N VAL A 53 6.945 7.606 0.750 1.00 0.00 N ATOM 752 CA VAL A 53 6.629 6.684 -0.334 1.00 0.00 C ATOM 753 C VAL A 53 5.200 6.165 -0.216 1.00 0.00 C ATOM 754 O VAL A 53 4.652 6.069 0.883 1.00 0.00 O ATOM 755 CB VAL A 53 7.599 5.487 -0.354 1.00 0.00 C ATOM 756 CG1 VAL A 53 7.378 4.642 -1.599 1.00 0.00 C ATOM 757 CG2 VAL A 53 9.039 5.968 -0.274 1.00 0.00 C ATOM 0 H VAL A 53 6.729 7.251 1.681 1.00 0.00 H new ATOM 0 HA VAL A 53 6.734 7.242 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 53 7.399 4.864 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 53 8.072 3.801 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.354 4.268 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.549 5.251 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 53 9.711 5.110 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.255 6.613 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.185 6.527 0.650 1.00 0.00 H new ATOM 767 N LEU A 54 4.603 5.829 -1.354 1.00 0.00 N ATOM 768 CA LEU A 54 3.236 5.318 -1.378 1.00 0.00 C ATOM 769 C LEU A 54 3.197 3.849 -0.973 1.00 0.00 C ATOM 770 O LEU A 54 4.078 3.069 -1.338 1.00 0.00 O ATOM 771 CB LEU A 54 2.632 5.491 -2.773 1.00 0.00 C ATOM 772 CG LEU A 54 2.379 6.930 -3.222 1.00 0.00 C ATOM 773 CD1 LEU A 54 2.456 7.039 -4.737 1.00 0.00 C ATOM 774 CD2 LEU A 54 1.027 7.416 -2.719 1.00 0.00 C ATOM 0 H LEU A 54 5.043 5.901 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 54 2.647 5.889 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.297 5.018 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.687 4.950 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 54 3.154 7.565 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.273 8.071 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.446 6.733 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.704 6.391 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.864 8.442 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.239 6.777 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.009 7.377 -1.630 1.00 0.00 H new ATOM 786 N VAL A 55 2.170 3.476 -0.217 1.00 0.00 N ATOM 787 CA VAL A 55 2.013 2.098 0.236 1.00 0.00 C ATOM 788 C VAL A 55 2.000 1.131 -0.942 1.00 0.00 C ATOM 789 O VAL A 55 2.559 0.036 -0.868 1.00 0.00 O ATOM 790 CB VAL A 55 0.717 1.918 1.048 1.00 0.00 C ATOM 791 CG1 VAL A 55 0.552 0.468 1.476 1.00 0.00 C ATOM 792 CG2 VAL A 55 0.714 2.842 2.257 1.00 0.00 C ATOM 0 H VAL A 55 1.433 4.109 0.095 1.00 0.00 H new ATOM 0 HA VAL A 55 2.867 1.876 0.876 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.129 2.183 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.369 0.360 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.507 -0.169 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.400 0.172 2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.209 2.702 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.567 2.609 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.782 3.878 1.924 1.00 0.00 H new ATOM 802 N LYS A 56 1.359 1.542 -2.031 1.00 0.00 N ATOM 803 CA LYS A 56 1.273 0.713 -3.228 1.00 0.00 C ATOM 804 C LYS A 56 2.632 0.605 -3.913 1.00 0.00 C ATOM 805 O LYS A 56 2.877 -0.324 -4.683 1.00 0.00 O ATOM 806 CB LYS A 56 0.244 1.292 -4.202 1.00 0.00 C ATOM 807 CG LYS A 56 0.640 2.643 -4.772 1.00 0.00 C ATOM 808 CD LYS A 56 -0.036 2.904 -6.108 1.00 0.00 C ATOM 809 CE LYS A 56 0.175 4.338 -6.569 1.00 0.00 C ATOM 810 NZ LYS A 56 -0.819 5.266 -5.964 1.00 0.00 N ATOM 0 H LYS A 56 0.891 2.445 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 56 0.957 -0.286 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.097 0.590 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.714 1.389 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.371 3.430 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.722 2.683 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.359 2.218 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.104 2.702 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.182 4.661 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.101 4.385 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.642 6.233 -6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.779 4.973 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.732 5.241 -4.928 1.00 0.00 H new ATOM 824 N ASP A 57 3.511 1.558 -3.626 1.00 0.00 N ATOM 825 CA ASP A 57 4.847 1.567 -4.213 1.00 0.00 C ATOM 826 C ASP A 57 5.844 0.855 -3.304 1.00 0.00 C ATOM 827 O ASP A 57 6.907 0.421 -3.751 1.00 0.00 O ATOM 828 CB ASP A 57 5.305 3.004 -4.467 1.00 0.00 C ATOM 829 CG ASP A 57 6.561 3.070 -5.312 1.00 0.00 C ATOM 830 OD1 ASP A 57 7.651 2.766 -4.782 1.00 0.00 O ATOM 831 OD2 ASP A 57 6.455 3.425 -6.505 1.00 0.00 O ATOM 0 H ASP A 57 3.324 2.334 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 57 4.804 1.034 -5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.506 3.554 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.486 3.499 -3.513 1.00 0.00 H new ATOM 836 N LEU A 58 5.496 0.740 -2.028 1.00 0.00 N ATOM 837 CA LEU A 58 6.361 0.081 -1.055 1.00 0.00 C ATOM 838 C LEU A 58 6.812 -1.285 -1.564 1.00 0.00 C ATOM 839 O LEU A 58 7.822 -1.825 -1.114 1.00 0.00 O ATOM 840 CB LEU A 58 5.634 -0.075 0.281 1.00 0.00 C ATOM 841 CG LEU A 58 5.520 1.188 1.135 1.00 0.00 C ATOM 842 CD1 LEU A 58 4.556 0.967 2.290 1.00 0.00 C ATOM 843 CD2 LEU A 58 6.888 1.606 1.653 1.00 0.00 C ATOM 0 H LEU A 58 4.621 1.094 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 58 7.244 0.704 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.629 -0.448 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.148 -0.839 0.865 1.00 0.00 H new ATOM 0 HG LEU A 58 5.128 1.991 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.488 1.877 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.570 0.715 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.918 0.150 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.788 2.507 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.307 0.804 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.550 1.807 0.811 1.00 0.00 H new ATOM 855 N LYS A 59 6.057 -1.837 -2.508 1.00 0.00 N ATOM 856 CA LYS A 59 6.379 -3.138 -3.082 1.00 0.00 C ATOM 857 C LYS A 59 7.761 -3.120 -3.728 1.00 0.00 C ATOM 858 O LYS A 59 8.529 -4.074 -3.602 1.00 0.00 O ATOM 859 CB LYS A 59 5.325 -3.537 -4.118 1.00 0.00 C ATOM 860 CG LYS A 59 5.238 -2.582 -5.296 1.00 0.00 C ATOM 861 CD LYS A 59 4.397 -3.160 -6.421 1.00 0.00 C ATOM 862 CE LYS A 59 5.249 -3.946 -7.406 1.00 0.00 C ATOM 863 NZ LYS A 59 5.519 -5.329 -6.924 1.00 0.00 N ATOM 0 H LYS A 59 5.217 -1.403 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 59 6.383 -3.872 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.551 -4.537 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.351 -3.590 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.807 -1.636 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.241 -2.365 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.627 -3.810 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.884 -2.353 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.743 -3.990 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.194 -3.426 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.660 -5.959 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.375 -5.330 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.711 -5.665 -6.363 1.00 0.00 H new ATOM 877 N THR A 60 8.071 -2.029 -4.420 1.00 0.00 N ATOM 878 CA THR A 60 9.360 -1.887 -5.086 1.00 0.00 C ATOM 879 C THR A 60 10.144 -0.708 -4.520 1.00 0.00 C ATOM 880 O THR A 60 11.087 -0.220 -5.144 1.00 0.00 O ATOM 881 CB THR A 60 9.190 -1.694 -6.604 1.00 0.00 C ATOM 882 OG1 THR A 60 10.473 -1.657 -7.240 1.00 0.00 O ATOM 883 CG2 THR A 60 8.432 -0.410 -6.905 1.00 0.00 C ATOM 0 H THR A 60 7.447 -1.230 -4.534 1.00 0.00 H new ATOM 0 HA THR A 60 9.913 -2.809 -4.904 1.00 0.00 H new ATOM 0 HB THR A 60 8.616 -2.535 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.090 -1.119 -6.701 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.324 -0.295 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.445 -0.454 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.983 0.440 -6.503 1.00 0.00 H new ATOM 891 N HIS A 61 9.749 -0.255 -3.335 1.00 0.00 N ATOM 892 CA HIS A 61 10.417 0.867 -2.684 1.00 0.00 C ATOM 893 C HIS A 61 11.819 0.474 -2.228 1.00 0.00 C ATOM 894 O HIS A 61 12.783 1.223 -2.390 1.00 0.00 O ATOM 895 CB HIS A 61 9.596 1.352 -1.488 1.00 0.00 C ATOM 896 CG HIS A 61 10.381 2.186 -0.523 1.00 0.00 C ATOM 897 ND1 HIS A 61 11.025 3.351 -0.884 1.00 0.00 N ATOM 898 CD2 HIS A 61 10.621 2.020 0.799 1.00 0.00 C ATOM 899 CE1 HIS A 61 11.629 3.863 0.172 1.00 0.00 C ATOM 900 NE2 HIS A 61 11.399 3.075 1.207 1.00 0.00 N ATOM 0 H HIS A 61 8.970 -0.647 -2.806 1.00 0.00 H new ATOM 0 HA HIS A 61 10.503 1.677 -3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 61 8.748 1.932 -1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.189 0.488 -0.962 1.00 0.00 H new ATOM 0 HD1 HIS A 61 11.033 3.754 -1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.266 1.209 1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.212 4.772 0.187 1.00 0.00 H new ATOM 908 N PRO A 62 11.937 -0.727 -1.644 1.00 0.00 N ATOM 909 CA PRO A 62 13.218 -1.246 -1.153 1.00 0.00 C ATOM 910 C PRO A 62 14.336 -1.097 -2.179 1.00 0.00 C ATOM 911 O PRO A 62 15.459 -0.729 -1.837 1.00 0.00 O ATOM 912 CB PRO A 62 12.924 -2.726 -0.893 1.00 0.00 C ATOM 913 CG PRO A 62 11.459 -2.781 -0.632 1.00 0.00 C ATOM 914 CD PRO A 62 10.831 -1.673 -1.419 1.00 0.00 C ATOM 0 HA PRO A 62 13.567 -0.705 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 62 13.197 -3.340 -1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 62 13.492 -3.099 -0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.050 -3.746 -0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.252 -2.663 0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.418 -2.036 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.012 -1.207 -0.870 1.00 0.00 H new ATOM 922 N GLU A 63 14.020 -1.384 -3.438 1.00 0.00 N ATOM 923 CA GLU A 63 14.999 -1.282 -4.514 1.00 0.00 C ATOM 924 C GLU A 63 15.671 0.089 -4.509 1.00 0.00 C ATOM 925 O GLU A 63 16.886 0.196 -4.347 1.00 0.00 O ATOM 926 CB GLU A 63 14.331 -1.530 -5.867 1.00 0.00 C ATOM 927 CG GLU A 63 15.227 -2.244 -6.866 1.00 0.00 C ATOM 928 CD GLU A 63 14.903 -1.882 -8.303 1.00 0.00 C ATOM 929 OE1 GLU A 63 13.705 -1.881 -8.658 1.00 0.00 O ATOM 930 OE2 GLU A 63 15.845 -1.600 -9.071 1.00 0.00 O ATOM 0 H GLU A 63 13.094 -1.689 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 63 15.762 -2.043 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.428 -2.121 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.019 -0.575 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.268 -1.995 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.125 -3.321 -6.735 1.00 0.00 H new ATOM 937 N VAL A 64 14.870 1.134 -4.689 1.00 0.00 N ATOM 938 CA VAL A 64 15.385 2.498 -4.706 1.00 0.00 C ATOM 939 C VAL A 64 15.797 2.946 -3.308 1.00 0.00 C ATOM 940 O VAL A 64 16.658 3.813 -3.151 1.00 0.00 O ATOM 941 CB VAL A 64 14.342 3.485 -5.263 1.00 0.00 C ATOM 942 CG1 VAL A 64 14.010 3.152 -6.709 1.00 0.00 C ATOM 943 CG2 VAL A 64 13.087 3.475 -4.403 1.00 0.00 C ATOM 0 H VAL A 64 13.862 1.062 -4.825 1.00 0.00 H new ATOM 0 HA VAL A 64 16.259 2.499 -5.358 1.00 0.00 H new ATOM 0 HB VAL A 64 14.766 4.489 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.272 3.860 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.915 3.215 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.606 2.141 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.361 4.178 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.658 2.473 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.342 3.767 -3.384 1.00 0.00 H new ATOM 953 N CYS A 65 15.178 2.351 -2.295 1.00 0.00 N ATOM 954 CA CYS A 65 15.480 2.688 -0.909 1.00 0.00 C ATOM 955 C CYS A 65 16.894 2.250 -0.538 1.00 0.00 C ATOM 956 O CYS A 65 17.414 1.274 -1.077 1.00 0.00 O ATOM 957 CB CYS A 65 14.468 2.029 0.030 1.00 0.00 C ATOM 958 SG CYS A 65 14.925 2.110 1.792 1.00 0.00 S ATOM 0 H CYS A 65 14.463 1.632 -2.408 1.00 0.00 H new ATOM 0 HA CYS A 65 15.414 3.771 -0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.498 2.508 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.350 0.984 -0.256 1.00 0.00 H new ATOM 963 N GLY A 66 17.511 2.981 0.386 1.00 0.00 N ATOM 964 CA GLY A 66 18.858 2.653 0.813 1.00 0.00 C ATOM 965 C GLY A 66 19.847 2.656 -0.335 1.00 0.00 C ATOM 966 O GLY A 66 20.678 1.755 -0.450 1.00 0.00 O ATOM 0 H GLY A 66 17.102 3.794 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.181 3.369 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.857 1.671 1.285 1.00 0.00 H new ATOM 970 N ARG A 67 19.757 3.671 -1.189 1.00 0.00 N ATOM 971 CA ARG A 67 20.650 3.785 -2.336 1.00 0.00 C ATOM 972 C ARG A 67 21.808 4.731 -2.032 1.00 0.00 C ATOM 973 O ARG A 67 22.973 4.337 -2.085 1.00 0.00 O ATOM 974 CB ARG A 67 19.880 4.283 -3.560 1.00 0.00 C ATOM 975 CG ARG A 67 20.654 4.151 -4.862 1.00 0.00 C ATOM 976 CD ARG A 67 20.817 2.695 -5.268 1.00 0.00 C ATOM 977 NE ARG A 67 21.504 2.557 -6.549 1.00 0.00 N ATOM 978 CZ ARG A 67 22.805 2.768 -6.712 1.00 0.00 C ATOM 979 NH1 ARG A 67 23.557 3.123 -5.679 1.00 0.00 N ATOM 980 NH2 ARG A 67 23.357 2.622 -7.910 1.00 0.00 N ATOM 0 H ARG A 67 19.075 4.425 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 67 21.057 2.796 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 67 18.947 3.725 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 67 19.613 5.329 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 67 20.135 4.694 -5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 67 21.636 4.611 -4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 67 21.377 2.165 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 67 19.836 2.224 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 67 20.954 2.283 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 67 23.136 3.235 -4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 67 24.556 3.284 -5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 22.782 2.348 -8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 67 24.356 2.784 -8.034 1.00 0.00 H new ATOM 994 N GLU A 68 21.479 5.979 -1.713 1.00 0.00 N ATOM 995 CA GLU A 68 22.492 6.980 -1.402 1.00 0.00 C ATOM 996 C GLU A 68 22.208 7.641 -0.057 1.00 0.00 C ATOM 997 O GLU A 68 21.206 7.347 0.593 1.00 0.00 O ATOM 998 CB GLU A 68 22.549 8.040 -2.503 1.00 0.00 C ATOM 999 CG GLU A 68 23.126 7.529 -3.812 1.00 0.00 C ATOM 1000 CD GLU A 68 24.637 7.412 -3.777 1.00 0.00 C ATOM 1001 OE1 GLU A 68 25.271 8.141 -2.986 1.00 0.00 O ATOM 1002 OE2 GLU A 68 25.186 6.590 -4.540 1.00 0.00 O ATOM 0 H GLU A 68 20.519 6.320 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 68 23.457 6.477 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.543 8.419 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 68 23.149 8.881 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 68 22.695 6.554 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.836 8.201 -4.620 1.00 0.00 H new ATOM 1009 N GLY A 69 23.099 8.538 0.356 1.00 0.00 N ATOM 1010 CA GLY A 69 22.927 9.228 1.621 1.00 0.00 C ATOM 1011 C GLY A 69 22.928 10.735 1.464 1.00 0.00 C ATOM 1012 O GLY A 69 23.581 11.273 0.570 1.00 0.00 O ATOM 0 H GLY A 69 23.937 8.799 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 69 21.988 8.914 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 69 23.726 8.936 2.302 1.00 0.00 H new ATOM 1016 N SER A 70 22.193 11.420 2.336 1.00 0.00 N ATOM 1017 CA SER A 70 22.107 12.874 2.287 1.00 0.00 C ATOM 1018 C SER A 70 23.473 13.490 1.997 1.00 0.00 C ATOM 1019 O SER A 70 23.643 14.219 1.020 1.00 0.00 O ATOM 1020 CB SER A 70 21.560 13.419 3.608 1.00 0.00 C ATOM 1021 OG SER A 70 20.890 14.652 3.413 1.00 0.00 O ATOM 0 H SER A 70 21.649 10.990 3.084 1.00 0.00 H new ATOM 0 HA SER A 70 21.426 13.146 1.480 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.874 12.695 4.048 1.00 0.00 H new ATOM 0 HB3 SER A 70 22.378 13.554 4.316 1.00 0.00 H new ATOM 0 HG SER A 70 20.548 14.978 4.272 1.00 0.00 H new ATOM 1027 N GLY A 71 24.444 13.190 2.854 1.00 0.00 N ATOM 1028 CA GLY A 71 25.783 13.722 2.673 1.00 0.00 C ATOM 1029 C GLY A 71 26.268 13.596 1.243 1.00 0.00 C ATOM 1030 O GLY A 71 26.419 14.587 0.527 1.00 0.00 O ATOM 0 H GLY A 71 24.328 12.589 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 71 25.796 14.772 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 71 26.472 13.197 3.335 1.00 0.00 H new ATOM 1034 N PRO A 72 26.523 12.354 0.807 1.00 0.00 N ATOM 1035 CA PRO A 72 27.000 12.074 -0.551 1.00 0.00 C ATOM 1036 C PRO A 72 25.929 12.329 -1.605 1.00 0.00 C ATOM 1037 O PRO A 72 26.143 12.085 -2.793 1.00 0.00 O ATOM 1038 CB PRO A 72 27.358 10.586 -0.501 1.00 0.00 C ATOM 1039 CG PRO A 72 26.509 10.028 0.589 1.00 0.00 C ATOM 1040 CD PRO A 72 26.366 11.127 1.606 1.00 0.00 C ATOM 0 HA PRO A 72 27.834 12.718 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 72 27.152 10.097 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 72 28.418 10.441 -0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.535 9.721 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 72 26.971 9.145 1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 72 25.396 11.092 2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 72 27.125 11.055 2.385 1.00 0.00 H new ATOM 1048 N SER A 73 24.776 12.821 -1.164 1.00 0.00 N ATOM 1049 CA SER A 73 23.669 13.106 -2.070 1.00 0.00 C ATOM 1050 C SER A 73 24.010 14.272 -2.994 1.00 0.00 C ATOM 1051 O SER A 73 24.315 15.373 -2.535 1.00 0.00 O ATOM 1052 CB SER A 73 22.401 13.424 -1.276 1.00 0.00 C ATOM 1053 OG SER A 73 21.251 13.354 -2.102 1.00 0.00 O ATOM 0 H SER A 73 24.584 13.031 -0.184 1.00 0.00 H new ATOM 0 HA SER A 73 23.494 12.220 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.301 12.722 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.480 14.421 -0.842 1.00 0.00 H new ATOM 0 HG SER A 73 20.454 13.560 -1.571 1.00 0.00 H new ATOM 1059 N SER A 74 23.956 14.020 -4.298 1.00 0.00 N ATOM 1060 CA SER A 74 24.263 15.047 -5.287 1.00 0.00 C ATOM 1061 C SER A 74 23.262 15.007 -6.439 1.00 0.00 C ATOM 1062 O SER A 74 22.793 13.940 -6.832 1.00 0.00 O ATOM 1063 CB SER A 74 25.683 14.859 -5.824 1.00 0.00 C ATOM 1064 OG SER A 74 25.754 13.748 -6.701 1.00 0.00 O ATOM 0 H SER A 74 23.703 13.115 -4.694 1.00 0.00 H new ATOM 0 HA SER A 74 24.192 16.019 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A 74 25.999 15.761 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 74 26.373 14.715 -4.993 1.00 0.00 H new ATOM 0 HG SER A 74 26.671 13.650 -7.032 1.00 0.00 H new ATOM 1070 N GLY A 75 22.940 16.181 -6.974 1.00 0.00 N ATOM 1071 CA GLY A 75 21.997 16.259 -8.075 1.00 0.00 C ATOM 1072 C GLY A 75 22.180 15.137 -9.077 1.00 0.00 C ATOM 1073 O GLY A 75 22.714 15.380 -10.158 1.00 0.00 O ATOM 0 H GLY A 75 23.315 17.078 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.981 16.228 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 75 22.114 17.217 -8.582 1.00 0.00 H new TER 1077 GLY A 75 HETATM 1078 ZN ZN A 401 -7.263 -0.949 4.073 1.00 0.00 ZN HETATM 1079 ZN ZN A 601 13.081 3.475 2.298 1.00 0.00 ZN