USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 493 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 ASN : amide:sc= -0.628 K(o=-5.1,f=-6.6) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -4.49! C(o=-6.2!,f=-5.1!) USER MOD Set 2.1: A 6 SER OG : rot -39:sc=-0.00985 USER MOD Set 2.2: A 26 SER OG : rot 53:sc= 1.48 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0884 (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 19:sc= 0.227 USER MOD Single : A 9 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=-0.15) USER MOD Single : A 10 GLN : amide:sc= -0.0226 K(o=-0.023,f=-0.89) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -160:sc= -0.0403 (180deg=-0.464) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -3.48! C(o=-3.5!,f=-3.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0944 (180deg=-0.591) USER MOD Single : A 53 HIS : no HD1:sc= -5.82! C(o=-5.8!,f=-9.7!) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.7 F(o=-2.4!,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.677 2.284 -12.969 1.00 0.00 N ATOM 2 CA GLY A 1 -30.376 2.207 -13.608 1.00 0.00 C ATOM 3 C GLY A 1 -29.568 1.015 -13.135 1.00 0.00 C ATOM 4 O GLY A 1 -30.092 0.129 -12.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.421 2.287 -13.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.806 1.462 -12.345 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.737 3.158 -12.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.508 2.147 -14.688 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.820 3.122 -13.405 1.00 0.00 H new ATOM 8 N SER A 2 -28.287 0.991 -13.492 1.00 0.00 N ATOM 9 CA SER A 2 -27.406 -0.104 -13.104 1.00 0.00 C ATOM 10 C SER A 2 -27.309 -0.212 -11.586 1.00 0.00 C ATOM 11 O SER A 2 -27.485 0.774 -10.870 1.00 0.00 O ATOM 12 CB SER A 2 -26.013 0.098 -13.702 1.00 0.00 C ATOM 13 OG SER A 2 -25.473 1.353 -13.326 1.00 0.00 O ATOM 0 H SER A 2 -27.837 1.717 -14.049 1.00 0.00 H new ATOM 0 HA SER A 2 -27.829 -1.031 -13.490 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.351 -0.701 -13.368 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.068 0.033 -14.789 1.00 0.00 H new ATOM 0 HG SER A 2 -24.582 1.457 -13.720 1.00 0.00 H new ATOM 19 N SER A 3 -27.028 -1.417 -11.101 1.00 0.00 N ATOM 20 CA SER A 3 -26.912 -1.656 -9.667 1.00 0.00 C ATOM 21 C SER A 3 -25.553 -2.261 -9.326 1.00 0.00 C ATOM 22 O SER A 3 -25.413 -3.479 -9.218 1.00 0.00 O ATOM 23 CB SER A 3 -28.030 -2.585 -9.191 1.00 0.00 C ATOM 24 OG SER A 3 -29.304 -2.062 -9.525 1.00 0.00 O ATOM 0 H SER A 3 -26.876 -2.243 -11.680 1.00 0.00 H new ATOM 0 HA SER A 3 -27.003 -0.698 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.907 -3.569 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.960 -2.720 -8.112 1.00 0.00 H new ATOM 0 HG SER A 3 -30.002 -2.675 -9.212 1.00 0.00 H new ATOM 30 N GLY A 4 -24.554 -1.400 -9.158 1.00 0.00 N ATOM 31 CA GLY A 4 -23.219 -1.867 -8.831 1.00 0.00 C ATOM 32 C GLY A 4 -22.933 -1.811 -7.344 1.00 0.00 C ATOM 33 O GLY A 4 -23.641 -1.139 -6.593 1.00 0.00 O ATOM 0 H GLY A 4 -24.645 -0.388 -9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.100 -2.892 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.485 -1.261 -9.362 1.00 0.00 H new ATOM 37 N SER A 5 -21.894 -2.520 -6.915 1.00 0.00 N ATOM 38 CA SER A 5 -21.520 -2.553 -5.506 1.00 0.00 C ATOM 39 C SER A 5 -20.003 -2.617 -5.348 1.00 0.00 C ATOM 40 O SER A 5 -19.335 -3.426 -5.993 1.00 0.00 O ATOM 41 CB SER A 5 -22.167 -3.753 -4.812 1.00 0.00 C ATOM 42 OG SER A 5 -21.641 -4.972 -5.306 1.00 0.00 O ATOM 0 H SER A 5 -21.296 -3.079 -7.523 1.00 0.00 H new ATOM 0 HA SER A 5 -21.879 -1.636 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.999 -3.690 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.246 -3.729 -4.968 1.00 0.00 H new ATOM 0 HG SER A 5 -20.787 -4.801 -5.756 1.00 0.00 H new ATOM 48 N SER A 6 -19.468 -1.759 -4.487 1.00 0.00 N ATOM 49 CA SER A 6 -18.030 -1.714 -4.246 1.00 0.00 C ATOM 50 C SER A 6 -17.697 -0.733 -3.126 1.00 0.00 C ATOM 51 O SER A 6 -18.071 0.437 -3.180 1.00 0.00 O ATOM 52 CB SER A 6 -17.290 -1.317 -5.524 1.00 0.00 C ATOM 53 OG SER A 6 -15.996 -1.896 -5.565 1.00 0.00 O ATOM 0 H SER A 6 -20.008 -1.085 -3.944 1.00 0.00 H new ATOM 0 HA SER A 6 -17.706 -2.709 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.863 -1.637 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.208 -0.231 -5.578 1.00 0.00 H new ATOM 0 HG SER A 6 -15.597 -1.868 -4.670 1.00 0.00 H new ATOM 59 N GLY A 7 -16.990 -1.221 -2.111 1.00 0.00 N ATOM 60 CA GLY A 7 -16.618 -0.375 -0.992 1.00 0.00 C ATOM 61 C GLY A 7 -15.150 -0.501 -0.634 1.00 0.00 C ATOM 62 O GLY A 7 -14.536 -1.545 -0.855 1.00 0.00 O ATOM 0 H GLY A 7 -16.668 -2.187 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.842 0.664 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.224 -0.637 -0.125 1.00 0.00 H new ATOM 66 N CYS A 8 -14.585 0.567 -0.080 1.00 0.00 N ATOM 67 CA CYS A 8 -13.179 0.574 0.308 1.00 0.00 C ATOM 68 C CYS A 8 -12.928 -0.398 1.457 1.00 0.00 C ATOM 69 O CYS A 8 -13.775 -0.573 2.334 1.00 0.00 O ATOM 70 CB CYS A 8 -12.748 1.984 0.715 1.00 0.00 C ATOM 71 SG CYS A 8 -11.212 2.039 1.693 1.00 0.00 S ATOM 0 H CYS A 8 -15.079 1.439 0.110 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.589 0.255 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.615 2.586 -0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.550 2.445 1.292 1.00 0.00 H new ATOM 76 N HIS A 9 -11.757 -1.028 1.446 1.00 0.00 N ATOM 77 CA HIS A 9 -11.393 -1.982 2.488 1.00 0.00 C ATOM 78 C HIS A 9 -10.635 -1.291 3.617 1.00 0.00 C ATOM 79 O HIS A 9 -10.836 -1.598 4.791 1.00 0.00 O ATOM 80 CB HIS A 9 -10.542 -3.109 1.902 1.00 0.00 C ATOM 81 CG HIS A 9 -10.385 -4.281 2.821 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.437 -4.838 3.517 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.290 -5.004 3.155 1.00 0.00 C ATOM 84 CE1 HIS A 9 -10.996 -5.851 4.241 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.696 -5.973 4.039 1.00 0.00 N ATOM 0 H HIS A 9 -11.045 -0.895 0.728 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.311 -2.404 2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.994 -3.447 0.969 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.555 -2.717 1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.284 -4.848 2.793 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.596 -6.474 4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.092 -6.673 4.470 1.00 0.00 H new ATOM 94 N GLN A 10 -9.762 -0.356 3.252 1.00 0.00 N ATOM 95 CA GLN A 10 -8.973 0.377 4.235 1.00 0.00 C ATOM 96 C GLN A 10 -9.847 0.844 5.395 1.00 0.00 C ATOM 97 O GLN A 10 -9.707 0.369 6.522 1.00 0.00 O ATOM 98 CB GLN A 10 -8.291 1.578 3.579 1.00 0.00 C ATOM 99 CG GLN A 10 -7.445 2.398 4.540 1.00 0.00 C ATOM 100 CD GLN A 10 -6.140 1.714 4.898 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.539 1.028 4.072 1.00 0.00 O ATOM 102 NE2 GLN A 10 -5.695 1.899 6.135 1.00 0.00 N ATOM 0 H GLN A 10 -9.584 -0.089 2.284 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.210 -0.296 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.660 1.226 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.052 2.222 3.139 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.231 3.369 4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.014 2.585 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.226 2.476 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.822 1.464 6.433 1.00 0.00 H new ATOM 111 N CYS A 11 -10.747 1.779 5.111 1.00 0.00 N ATOM 112 CA CYS A 11 -11.643 2.312 6.130 1.00 0.00 C ATOM 113 C CYS A 11 -12.951 1.526 6.170 1.00 0.00 C ATOM 114 O CYS A 11 -13.451 1.187 7.242 1.00 0.00 O ATOM 115 CB CYS A 11 -11.932 3.791 5.862 1.00 0.00 C ATOM 116 SG CYS A 11 -12.755 4.110 4.268 1.00 0.00 S ATOM 0 H CYS A 11 -10.875 2.183 4.183 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.151 2.214 7.098 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.557 4.180 6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.994 4.345 5.892 1.00 0.00 H new ATOM 121 N GLY A 12 -13.499 1.240 4.993 1.00 0.00 N ATOM 122 CA GLY A 12 -14.743 0.496 4.916 1.00 0.00 C ATOM 123 C GLY A 12 -15.843 1.276 4.224 1.00 0.00 C ATOM 124 O GLY A 12 -16.670 0.701 3.518 1.00 0.00 O ATOM 0 H GLY A 12 -13.104 1.510 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.572 -0.438 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.067 0.231 5.922 1.00 0.00 H new ATOM 128 N GLU A 13 -15.853 2.590 4.428 1.00 0.00 N ATOM 129 CA GLU A 13 -16.862 3.449 3.820 1.00 0.00 C ATOM 130 C GLU A 13 -17.012 3.143 2.332 1.00 0.00 C ATOM 131 O GLU A 13 -16.068 2.695 1.681 1.00 0.00 O ATOM 132 CB GLU A 13 -16.494 4.921 4.014 1.00 0.00 C ATOM 133 CG GLU A 13 -16.291 5.311 5.469 1.00 0.00 C ATOM 134 CD GLU A 13 -17.593 5.634 6.174 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.605 4.960 5.891 1.00 0.00 O ATOM 136 OE2 GLU A 13 -17.600 6.562 7.010 1.00 0.00 O ATOM 0 H GLU A 13 -15.174 3.082 5.009 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.815 3.252 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.581 5.135 3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.280 5.543 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.791 4.496 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.630 6.176 5.520 1.00 0.00 H new ATOM 143 N PHE A 14 -18.205 3.388 1.801 1.00 0.00 N ATOM 144 CA PHE A 14 -18.480 3.138 0.391 1.00 0.00 C ATOM 145 C PHE A 14 -17.789 4.174 -0.490 1.00 0.00 C ATOM 146 O PHE A 14 -17.768 5.363 -0.169 1.00 0.00 O ATOM 147 CB PHE A 14 -19.988 3.157 0.133 1.00 0.00 C ATOM 148 CG PHE A 14 -20.389 2.456 -1.133 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.568 1.082 -1.153 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.586 3.170 -2.304 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.936 0.434 -2.318 1.00 0.00 C ATOM 152 CE2 PHE A 14 -20.954 2.528 -3.471 1.00 0.00 C ATOM 153 CZ PHE A 14 -21.130 1.159 -3.478 1.00 0.00 C ATOM 0 H PHE A 14 -18.997 3.759 2.326 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.087 2.153 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.498 2.689 0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.328 4.192 0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -20.418 0.511 -0.249 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.450 4.241 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.072 -0.637 -2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.104 3.097 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.419 0.655 -4.389 1.00 0.00 H new ATOM 163 N ILE A 15 -17.224 3.714 -1.601 1.00 0.00 N ATOM 164 CA ILE A 15 -16.532 4.600 -2.529 1.00 0.00 C ATOM 165 C ILE A 15 -17.501 5.198 -3.544 1.00 0.00 C ATOM 166 O ILE A 15 -18.285 4.481 -4.166 1.00 0.00 O ATOM 167 CB ILE A 15 -15.410 3.862 -3.282 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.553 3.057 -2.302 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.551 4.851 -4.055 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.773 1.940 -2.959 1.00 0.00 C ATOM 0 H ILE A 15 -17.232 2.733 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.093 5.400 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.863 3.171 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.857 3.731 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.197 2.635 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.762 4.314 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.170 5.385 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.104 5.564 -3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.189 1.412 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.464 1.244 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.103 2.357 -3.711 1.00 0.00 H new ATOM 182 N ILE A 16 -17.440 6.516 -3.706 1.00 0.00 N ATOM 183 CA ILE A 16 -18.310 7.210 -4.647 1.00 0.00 C ATOM 184 C ILE A 16 -17.509 8.137 -5.555 1.00 0.00 C ATOM 185 O ILE A 16 -16.917 9.113 -5.097 1.00 0.00 O ATOM 186 CB ILE A 16 -19.388 8.032 -3.917 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.114 7.161 -2.889 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.376 8.616 -4.916 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.098 7.930 -2.034 1.00 0.00 C ATOM 0 H ILE A 16 -16.797 7.124 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.796 6.444 -5.251 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.903 8.855 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.643 6.363 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.377 6.685 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.132 9.194 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.847 9.265 -5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.858 7.808 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.576 7.250 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.571 8.711 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.857 8.383 -2.671 1.00 0.00 H new ATOM 201 N GLY A 17 -17.497 7.825 -6.848 1.00 0.00 N ATOM 202 CA GLY A 17 -16.767 8.640 -7.801 1.00 0.00 C ATOM 203 C GLY A 17 -15.550 7.930 -8.360 1.00 0.00 C ATOM 204 O GLY A 17 -15.562 7.467 -9.501 1.00 0.00 O ATOM 0 H GLY A 17 -17.980 7.022 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.430 8.917 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.454 9.565 -7.318 1.00 0.00 H new ATOM 208 N ARG A 18 -14.496 7.844 -7.555 1.00 0.00 N ATOM 209 CA ARG A 18 -13.264 7.187 -7.977 1.00 0.00 C ATOM 210 C ARG A 18 -12.984 5.956 -7.121 1.00 0.00 C ATOM 211 O ARG A 18 -12.890 6.046 -5.897 1.00 0.00 O ATOM 212 CB ARG A 18 -12.087 8.160 -7.891 1.00 0.00 C ATOM 213 CG ARG A 18 -10.729 7.479 -7.939 1.00 0.00 C ATOM 214 CD ARG A 18 -9.679 8.374 -8.580 1.00 0.00 C ATOM 215 NE ARG A 18 -8.643 7.601 -9.260 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.913 8.074 -10.263 1.00 0.00 C ATOM 217 NH1 ARG A 18 -8.104 9.311 -10.701 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.988 7.309 -10.831 1.00 0.00 N ATOM 0 H ARG A 18 -14.470 8.221 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.388 6.868 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.156 8.873 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.165 8.731 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.417 7.216 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.807 6.548 -8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.160 9.043 -9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.221 9.001 -7.815 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.471 6.646 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.813 9.902 -10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.542 9.672 -11.472 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.838 6.357 -10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.428 7.673 -11.602 1.00 0.00 H new ATOM 232 N VAL A 19 -12.850 4.805 -7.773 1.00 0.00 N ATOM 233 CA VAL A 19 -12.580 3.556 -7.073 1.00 0.00 C ATOM 234 C VAL A 19 -11.205 3.007 -7.437 1.00 0.00 C ATOM 235 O VAL A 19 -10.923 2.738 -8.605 1.00 0.00 O ATOM 236 CB VAL A 19 -13.646 2.491 -7.392 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.118 1.098 -7.088 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.924 2.767 -6.613 1.00 0.00 C ATOM 0 H VAL A 19 -12.924 4.713 -8.786 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.608 3.780 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.877 2.541 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.885 0.359 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.233 0.904 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.857 1.030 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.666 2.005 -6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.711 2.745 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.312 3.749 -6.886 1.00 0.00 H new ATOM 248 N ILE A 20 -10.353 2.844 -6.431 1.00 0.00 N ATOM 249 CA ILE A 20 -9.008 2.326 -6.646 1.00 0.00 C ATOM 250 C ILE A 20 -8.973 0.809 -6.499 1.00 0.00 C ATOM 251 O ILE A 20 -9.063 0.278 -5.392 1.00 0.00 O ATOM 252 CB ILE A 20 -8.001 2.949 -5.661 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.148 4.472 -5.642 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.580 2.553 -6.034 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.935 5.116 -6.994 1.00 0.00 C ATOM 0 H ILE A 20 -10.570 3.063 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.725 2.597 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.212 2.570 -4.661 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.143 4.728 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.433 4.889 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.880 3.001 -5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.484 1.468 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.356 2.906 -7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.054 6.196 -6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.930 4.890 -7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.667 4.727 -7.702 1.00 0.00 H new ATOM 267 N LYS A 21 -8.840 0.114 -7.624 1.00 0.00 N ATOM 268 CA LYS A 21 -8.789 -1.343 -7.622 1.00 0.00 C ATOM 269 C LYS A 21 -7.380 -1.839 -7.313 1.00 0.00 C ATOM 270 O LYS A 21 -6.448 -1.609 -8.083 1.00 0.00 O ATOM 271 CB LYS A 21 -9.248 -1.891 -8.975 1.00 0.00 C ATOM 272 CG LYS A 21 -10.754 -1.847 -9.171 1.00 0.00 C ATOM 273 CD LYS A 21 -11.419 -3.117 -8.667 1.00 0.00 C ATOM 274 CE LYS A 21 -12.857 -2.863 -8.242 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.810 -3.045 -9.371 1.00 0.00 N ATOM 0 H LYS A 21 -8.766 0.537 -8.549 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.461 -1.704 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.770 -1.319 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.907 -2.922 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.165 -0.986 -8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.980 -1.712 -10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.399 -3.875 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.854 -3.515 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.121 -3.542 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.946 -1.849 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.779 -2.863 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.574 -2.380 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.744 -4.020 -9.728 1.00 0.00 H new ATOM 289 N ALA A 22 -7.233 -2.521 -6.182 1.00 0.00 N ATOM 290 CA ALA A 22 -5.939 -3.051 -5.773 1.00 0.00 C ATOM 291 C ALA A 22 -6.105 -4.263 -4.862 1.00 0.00 C ATOM 292 O ALA A 22 -7.181 -4.495 -4.312 1.00 0.00 O ATOM 293 CB ALA A 22 -5.122 -1.973 -5.076 1.00 0.00 C ATOM 0 H ALA A 22 -7.994 -2.719 -5.533 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.407 -3.372 -6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.158 -2.384 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.964 -1.138 -5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.658 -1.624 -4.193 1.00 0.00 H new ATOM 299 N MET A 23 -5.033 -5.033 -4.708 1.00 0.00 N ATOM 300 CA MET A 23 -5.061 -6.222 -3.863 1.00 0.00 C ATOM 301 C MET A 23 -6.368 -6.987 -4.045 1.00 0.00 C ATOM 302 O MET A 23 -6.873 -7.603 -3.107 1.00 0.00 O ATOM 303 CB MET A 23 -4.885 -5.833 -2.393 1.00 0.00 C ATOM 304 CG MET A 23 -3.666 -4.961 -2.138 1.00 0.00 C ATOM 305 SD MET A 23 -2.117 -5.806 -2.509 1.00 0.00 S ATOM 306 CE MET A 23 -1.419 -5.970 -0.868 1.00 0.00 C ATOM 0 H MET A 23 -4.134 -4.855 -5.157 1.00 0.00 H new ATOM 0 HA MET A 23 -4.237 -6.869 -4.162 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.777 -5.305 -2.056 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.806 -6.739 -1.793 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.737 -4.058 -2.744 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.662 -4.645 -1.095 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.345 -6.137 -0.945 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.605 -5.058 -0.301 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.882 -6.815 -0.359 1.00 0.00 H new ATOM 316 N ASN A 24 -6.910 -6.944 -5.257 1.00 0.00 N ATOM 317 CA ASN A 24 -8.159 -7.633 -5.561 1.00 0.00 C ATOM 318 C ASN A 24 -9.306 -7.075 -4.724 1.00 0.00 C ATOM 319 O ASN A 24 -10.113 -7.827 -4.180 1.00 0.00 O ATOM 320 CB ASN A 24 -8.012 -9.135 -5.308 1.00 0.00 C ATOM 321 CG ASN A 24 -7.260 -9.837 -6.422 1.00 0.00 C ATOM 322 OD1 ASN A 24 -7.855 -10.274 -7.408 1.00 0.00 O ATOM 323 ND2 ASN A 24 -5.946 -9.950 -6.270 1.00 0.00 N ATOM 0 H ASN A 24 -6.504 -6.439 -6.045 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.388 -7.469 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.489 -9.292 -4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.001 -9.582 -5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.388 -10.414 -6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.495 -9.573 -5.437 1.00 0.00 H new ATOM 330 N ASN A 25 -9.371 -5.751 -4.627 1.00 0.00 N ATOM 331 CA ASN A 25 -10.419 -5.092 -3.856 1.00 0.00 C ATOM 332 C ASN A 25 -10.469 -3.600 -4.171 1.00 0.00 C ATOM 333 O ASN A 25 -9.515 -3.036 -4.707 1.00 0.00 O ATOM 334 CB ASN A 25 -10.187 -5.301 -2.358 1.00 0.00 C ATOM 335 CG ASN A 25 -10.503 -6.717 -1.916 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.665 -7.121 -1.874 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.467 -7.477 -1.583 1.00 0.00 N ATOM 0 H ASN A 25 -8.711 -5.114 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.375 -5.536 -4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.149 -5.072 -2.118 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.806 -4.601 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.617 -8.438 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.521 -7.100 -1.633 1.00 0.00 H new ATOM 344 N SER A 26 -11.588 -2.966 -3.833 1.00 0.00 N ATOM 345 CA SER A 26 -11.764 -1.540 -4.082 1.00 0.00 C ATOM 346 C SER A 26 -11.270 -0.717 -2.897 1.00 0.00 C ATOM 347 O SER A 26 -11.369 -1.143 -1.747 1.00 0.00 O ATOM 348 CB SER A 26 -13.236 -1.228 -4.357 1.00 0.00 C ATOM 349 OG SER A 26 -14.070 -1.772 -3.350 1.00 0.00 O ATOM 0 H SER A 26 -12.386 -3.418 -3.386 1.00 0.00 H new ATOM 0 HA SER A 26 -11.173 -1.273 -4.958 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.379 -0.149 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.521 -1.633 -5.328 1.00 0.00 H new ATOM 0 HG SER A 26 -13.756 -1.476 -2.470 1.00 0.00 H new ATOM 355 N TRP A 27 -10.738 0.465 -3.187 1.00 0.00 N ATOM 356 CA TRP A 27 -10.228 1.350 -2.146 1.00 0.00 C ATOM 357 C TRP A 27 -10.355 2.811 -2.563 1.00 0.00 C ATOM 358 O TRP A 27 -10.692 3.113 -3.708 1.00 0.00 O ATOM 359 CB TRP A 27 -8.767 1.020 -1.838 1.00 0.00 C ATOM 360 CG TRP A 27 -8.494 -0.452 -1.760 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.671 -1.372 -2.754 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.998 -1.172 -0.627 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.315 -2.621 -2.306 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.897 -2.526 -1.005 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.626 -0.806 0.669 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.442 -3.510 -0.132 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -7.175 -1.785 1.535 1.00 0.00 C ATOM 368 CH2 TRP A 27 -7.086 -3.123 1.131 1.00 0.00 C ATOM 0 H TRP A 27 -10.649 0.833 -4.134 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.825 1.195 -1.248 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.133 1.460 -2.608 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.489 1.484 -0.892 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.037 -1.150 -3.746 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.355 -3.480 -2.854 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.690 0.224 0.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.372 -4.543 -0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.887 -1.513 2.540 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.729 -3.864 1.831 1.00 0.00 H new ATOM 379 N HIS A 28 -10.083 3.715 -1.627 1.00 0.00 N ATOM 380 CA HIS A 28 -10.166 5.146 -1.899 1.00 0.00 C ATOM 381 C HIS A 28 -8.844 5.672 -2.449 1.00 0.00 C ATOM 382 O HIS A 28 -7.781 5.084 -2.246 1.00 0.00 O ATOM 383 CB HIS A 28 -10.542 5.907 -0.627 1.00 0.00 C ATOM 384 CG HIS A 28 -11.980 5.753 -0.239 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.381 5.254 0.982 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.116 6.036 -0.919 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.701 5.236 1.036 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.171 5.706 -0.105 1.00 0.00 N ATOM 0 H HIS A 28 -9.803 3.482 -0.674 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.940 5.304 -2.650 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.914 5.560 0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.324 6.965 -0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.180 6.445 -1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.295 4.895 1.871 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.158 5.807 -0.343 1.00 0.00 H new ATOM 396 N PRO A 29 -8.909 6.806 -3.163 1.00 0.00 N ATOM 397 CA PRO A 29 -7.726 7.436 -3.758 1.00 0.00 C ATOM 398 C PRO A 29 -6.799 8.036 -2.706 1.00 0.00 C ATOM 399 O PRO A 29 -5.750 8.588 -3.034 1.00 0.00 O ATOM 400 CB PRO A 29 -8.318 8.538 -4.640 1.00 0.00 C ATOM 401 CG PRO A 29 -9.635 8.853 -4.021 1.00 0.00 C ATOM 402 CD PRO A 29 -10.142 7.560 -3.445 1.00 0.00 C ATOM 0 HA PRO A 29 -7.112 6.719 -4.303 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.672 9.416 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.435 8.200 -5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.530 9.611 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.330 9.249 -4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.728 7.725 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.785 7.031 -4.149 1.00 0.00 H new ATOM 410 N GLU A 30 -7.194 7.923 -1.442 1.00 0.00 N ATOM 411 CA GLU A 30 -6.397 8.455 -0.343 1.00 0.00 C ATOM 412 C GLU A 30 -6.057 7.359 0.663 1.00 0.00 C ATOM 413 O GLU A 30 -5.007 7.394 1.306 1.00 0.00 O ATOM 414 CB GLU A 30 -7.146 9.590 0.357 1.00 0.00 C ATOM 415 CG GLU A 30 -8.460 9.156 0.984 1.00 0.00 C ATOM 416 CD GLU A 30 -9.058 10.222 1.883 1.00 0.00 C ATOM 417 OE1 GLU A 30 -9.661 11.177 1.352 1.00 0.00 O ATOM 418 OE2 GLU A 30 -8.921 10.099 3.118 1.00 0.00 O ATOM 0 H GLU A 30 -8.060 7.468 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.467 8.845 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.506 10.013 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.342 10.384 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.171 8.911 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.299 8.246 1.563 1.00 0.00 H new ATOM 425 N CYS A 31 -6.952 6.387 0.795 1.00 0.00 N ATOM 426 CA CYS A 31 -6.750 5.281 1.723 1.00 0.00 C ATOM 427 C CYS A 31 -5.581 4.406 1.279 1.00 0.00 C ATOM 428 O CYS A 31 -4.570 4.302 1.975 1.00 0.00 O ATOM 429 CB CYS A 31 -8.022 4.437 1.828 1.00 0.00 C ATOM 430 SG CYS A 31 -9.267 5.109 2.975 1.00 0.00 S ATOM 0 H CYS A 31 -7.826 6.342 0.270 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.517 5.699 2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.468 4.346 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.752 3.431 2.150 1.00 0.00 H new ATOM 435 N PHE A 32 -5.727 3.778 0.117 1.00 0.00 N ATOM 436 CA PHE A 32 -4.684 2.911 -0.420 1.00 0.00 C ATOM 437 C PHE A 32 -3.322 3.597 -0.359 1.00 0.00 C ATOM 438 O PHE A 32 -2.909 4.266 -1.306 1.00 0.00 O ATOM 439 CB PHE A 32 -5.008 2.523 -1.864 1.00 0.00 C ATOM 440 CG PHE A 32 -4.265 1.306 -2.338 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.476 0.073 -1.743 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.355 1.396 -3.380 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.793 -1.047 -2.177 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.670 0.279 -3.818 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.890 -0.944 -3.217 1.00 0.00 C ATOM 0 H PHE A 32 -6.557 3.853 -0.471 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.645 2.009 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.079 2.342 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.772 3.361 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.182 -0.014 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.180 2.350 -3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.965 -2.002 -1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.963 0.363 -4.630 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.357 -1.819 -3.559 1.00 0.00 H new ATOM 455 N ARG A 33 -2.630 3.426 0.762 1.00 0.00 N ATOM 456 CA ARG A 33 -1.316 4.029 0.949 1.00 0.00 C ATOM 457 C ARG A 33 -0.256 2.959 1.194 1.00 0.00 C ATOM 458 O ARG A 33 -0.578 1.801 1.462 1.00 0.00 O ATOM 459 CB ARG A 33 -1.344 5.012 2.120 1.00 0.00 C ATOM 460 CG ARG A 33 -2.159 6.265 1.845 1.00 0.00 C ATOM 461 CD ARG A 33 -1.832 7.372 2.835 1.00 0.00 C ATOM 462 NE ARG A 33 -1.982 8.698 2.243 1.00 0.00 N ATOM 463 CZ ARG A 33 -3.086 9.429 2.347 1.00 0.00 C ATOM 464 NH1 ARG A 33 -4.132 8.964 3.017 1.00 0.00 N ATOM 465 NH2 ARG A 33 -3.146 10.627 1.781 1.00 0.00 N ATOM 0 H ARG A 33 -2.957 2.875 1.555 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.059 4.568 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.752 4.508 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.322 5.300 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.962 6.613 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.222 6.028 1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.486 7.287 3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.810 7.248 3.192 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.196 9.084 1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.090 8.043 3.454 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.979 9.527 3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.344 10.988 1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.995 11.187 1.862 1.00 0.00 H new ATOM 479 N CYS A 34 1.009 3.354 1.101 1.00 0.00 N ATOM 480 CA CYS A 34 2.117 2.430 1.311 1.00 0.00 C ATOM 481 C CYS A 34 2.078 1.846 2.720 1.00 0.00 C ATOM 482 O CYS A 34 1.478 2.424 3.627 1.00 0.00 O ATOM 483 CB CYS A 34 3.452 3.140 1.078 1.00 0.00 C ATOM 484 SG CYS A 34 4.880 2.016 0.956 1.00 0.00 S ATOM 0 H CYS A 34 1.293 4.309 0.881 1.00 0.00 H new ATOM 0 HA CYS A 34 2.018 1.614 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.385 3.726 0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.625 3.843 1.893 1.00 0.00 H new ATOM 489 N ASP A 35 2.722 0.697 2.896 1.00 0.00 N ATOM 490 CA ASP A 35 2.762 0.035 4.195 1.00 0.00 C ATOM 491 C ASP A 35 4.097 0.283 4.890 1.00 0.00 C ATOM 492 O ASP A 35 4.418 -0.361 5.890 1.00 0.00 O ATOM 493 CB ASP A 35 2.530 -1.468 4.032 1.00 0.00 C ATOM 494 CG ASP A 35 1.849 -2.083 5.239 1.00 0.00 C ATOM 495 OD1 ASP A 35 2.512 -2.219 6.289 1.00 0.00 O ATOM 496 OD2 ASP A 35 0.653 -2.428 5.135 1.00 0.00 O ATOM 0 H ASP A 35 3.223 0.205 2.156 1.00 0.00 H new ATOM 0 HA ASP A 35 1.967 0.453 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.921 -1.645 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.486 -1.964 3.866 1.00 0.00 H new ATOM 501 N LEU A 36 4.872 1.220 4.355 1.00 0.00 N ATOM 502 CA LEU A 36 6.174 1.553 4.923 1.00 0.00 C ATOM 503 C LEU A 36 6.317 3.060 5.108 1.00 0.00 C ATOM 504 O LEU A 36 6.945 3.523 6.061 1.00 0.00 O ATOM 505 CB LEU A 36 7.294 1.029 4.023 1.00 0.00 C ATOM 506 CG LEU A 36 7.429 -0.491 3.935 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.148 -0.890 2.655 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.163 -1.033 5.152 1.00 0.00 C ATOM 0 H LEU A 36 4.621 1.763 3.529 1.00 0.00 H new ATOM 0 HA LEU A 36 6.250 1.077 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.137 1.418 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.240 1.438 4.379 1.00 0.00 H new ATOM 0 HG LEU A 36 6.429 -0.925 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.235 -1.976 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.582 -0.535 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.143 -0.446 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.250 -2.117 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.159 -0.592 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.607 -0.779 6.055 1.00 0.00 H new ATOM 520 N CYS A 37 5.729 3.822 4.192 1.00 0.00 N ATOM 521 CA CYS A 37 5.789 5.278 4.254 1.00 0.00 C ATOM 522 C CYS A 37 4.388 5.882 4.223 1.00 0.00 C ATOM 523 O CYS A 37 4.212 7.078 4.454 1.00 0.00 O ATOM 524 CB CYS A 37 6.618 5.825 3.090 1.00 0.00 C ATOM 525 SG CYS A 37 5.874 5.544 1.451 1.00 0.00 S ATOM 0 H CYS A 37 5.205 3.455 3.397 1.00 0.00 H new ATOM 0 HA CYS A 37 6.265 5.558 5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.763 6.896 3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.605 5.364 3.113 1.00 0.00 H new ATOM 530 N GLN A 38 3.395 5.046 3.936 1.00 0.00 N ATOM 531 CA GLN A 38 2.010 5.498 3.875 1.00 0.00 C ATOM 532 C GLN A 38 1.826 6.540 2.776 1.00 0.00 C ATOM 533 O GLN A 38 1.341 7.642 3.030 1.00 0.00 O ATOM 534 CB GLN A 38 1.581 6.079 5.223 1.00 0.00 C ATOM 535 CG GLN A 38 1.779 5.123 6.388 1.00 0.00 C ATOM 536 CD GLN A 38 0.559 4.260 6.649 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.521 4.768 6.949 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.726 2.948 6.534 1.00 0.00 N ATOM 0 H GLN A 38 3.524 4.053 3.742 1.00 0.00 H new ATOM 0 HA GLN A 38 1.383 4.637 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.146 6.991 5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.529 6.361 5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.636 4.481 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.014 5.694 7.286 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.640 2.570 6.283 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.059 2.318 6.697 1.00 0.00 H new ATOM 547 N GLU A 39 2.216 6.182 1.557 1.00 0.00 N ATOM 548 CA GLU A 39 2.094 7.088 0.421 1.00 0.00 C ATOM 549 C GLU A 39 0.989 6.628 -0.526 1.00 0.00 C ATOM 550 O GLU A 39 0.924 5.458 -0.900 1.00 0.00 O ATOM 551 CB GLU A 39 3.423 7.177 -0.334 1.00 0.00 C ATOM 552 CG GLU A 39 3.311 7.867 -1.683 1.00 0.00 C ATOM 553 CD GLU A 39 4.622 8.481 -2.135 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.650 7.773 -2.102 1.00 0.00 O ATOM 555 OE2 GLU A 39 4.620 9.669 -2.519 1.00 0.00 O ATOM 0 H GLU A 39 2.619 5.272 1.331 1.00 0.00 H new ATOM 0 HA GLU A 39 1.834 8.075 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.145 7.714 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.816 6.171 -0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.975 7.146 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.550 8.645 -1.627 1.00 0.00 H new ATOM 562 N VAL A 40 0.121 7.559 -0.909 1.00 0.00 N ATOM 563 CA VAL A 40 -0.982 7.251 -1.811 1.00 0.00 C ATOM 564 C VAL A 40 -0.504 6.427 -3.002 1.00 0.00 C ATOM 565 O VAL A 40 0.283 6.901 -3.823 1.00 0.00 O ATOM 566 CB VAL A 40 -1.660 8.534 -2.328 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.801 8.191 -3.273 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.155 9.380 -1.165 1.00 0.00 C ATOM 0 H VAL A 40 0.161 8.533 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.706 6.672 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.924 9.116 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.268 9.110 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.413 7.629 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.541 7.588 -2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.631 10.282 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.877 8.809 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.312 9.656 -0.531 1.00 0.00 H new ATOM 578 N LEU A 41 -0.983 5.191 -3.090 1.00 0.00 N ATOM 579 CA LEU A 41 -0.606 4.300 -4.181 1.00 0.00 C ATOM 580 C LEU A 41 -1.719 4.207 -5.219 1.00 0.00 C ATOM 581 O LEU A 41 -2.021 3.127 -5.725 1.00 0.00 O ATOM 582 CB LEU A 41 -0.282 2.907 -3.638 1.00 0.00 C ATOM 583 CG LEU A 41 0.333 2.857 -2.239 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.034 1.524 -1.571 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.834 3.097 -2.307 1.00 0.00 C ATOM 0 H LEU A 41 -1.633 4.783 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 41 0.281 4.712 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.200 2.320 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.403 2.419 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.114 3.649 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.480 1.507 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.045 1.393 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.452 0.715 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.255 3.058 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.298 2.328 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.026 4.077 -2.743 1.00 0.00 H new ATOM 597 N ALA A 42 -2.325 5.348 -5.533 1.00 0.00 N ATOM 598 CA ALA A 42 -3.401 5.397 -6.514 1.00 0.00 C ATOM 599 C ALA A 42 -2.868 5.751 -7.898 1.00 0.00 C ATOM 600 O ALA A 42 -3.156 5.066 -8.879 1.00 0.00 O ATOM 601 CB ALA A 42 -4.463 6.398 -6.083 1.00 0.00 C ATOM 0 H ALA A 42 -2.088 6.251 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.852 4.406 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.261 6.424 -6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.874 6.100 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.016 7.388 -5.996 1.00 0.00 H new ATOM 607 N ASP A 43 -2.090 6.825 -7.969 1.00 0.00 N ATOM 608 CA ASP A 43 -1.515 7.271 -9.233 1.00 0.00 C ATOM 609 C ASP A 43 -0.155 6.623 -9.470 1.00 0.00 C ATOM 610 O ASP A 43 0.116 6.104 -10.553 1.00 0.00 O ATOM 611 CB ASP A 43 -1.378 8.794 -9.247 1.00 0.00 C ATOM 612 CG ASP A 43 -2.716 9.497 -9.125 1.00 0.00 C ATOM 613 OD1 ASP A 43 -3.265 9.538 -8.004 1.00 0.00 O ATOM 614 OD2 ASP A 43 -3.213 10.007 -10.150 1.00 0.00 O ATOM 0 H ASP A 43 -1.843 7.403 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.187 6.968 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.731 9.105 -8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.891 9.104 -10.172 1.00 0.00 H new ATOM 619 N ILE A 44 0.697 6.659 -8.451 1.00 0.00 N ATOM 620 CA ILE A 44 2.029 6.076 -8.549 1.00 0.00 C ATOM 621 C ILE A 44 1.958 4.556 -8.653 1.00 0.00 C ATOM 622 O ILE A 44 2.757 3.933 -9.350 1.00 0.00 O ATOM 623 CB ILE A 44 2.901 6.455 -7.338 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.291 5.899 -6.049 1.00 0.00 C ATOM 625 CG2 ILE A 44 3.055 7.966 -7.248 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.130 6.167 -4.819 1.00 0.00 C ATOM 0 H ILE A 44 0.488 7.086 -7.548 1.00 0.00 H new ATOM 0 HA ILE A 44 2.483 6.480 -9.454 1.00 0.00 H new ATOM 0 HB ILE A 44 3.890 6.016 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.302 6.335 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.152 4.823 -6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.674 8.218 -6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.528 8.338 -8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.073 8.426 -7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.637 5.745 -3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.111 5.707 -4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.248 7.242 -4.686 1.00 0.00 H new ATOM 638 N GLY A 45 0.992 3.965 -7.956 1.00 0.00 N ATOM 639 CA GLY A 45 0.832 2.523 -7.985 1.00 0.00 C ATOM 640 C GLY A 45 1.516 1.840 -6.817 1.00 0.00 C ATOM 641 O GLY A 45 2.382 2.426 -6.167 1.00 0.00 O ATOM 0 H GLY A 45 0.318 4.459 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.230 2.278 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.239 2.134 -8.918 1.00 0.00 H new ATOM 645 N PHE A 46 1.127 0.598 -6.549 1.00 0.00 N ATOM 646 CA PHE A 46 1.707 -0.164 -5.450 1.00 0.00 C ATOM 647 C PHE A 46 2.495 -1.361 -5.975 1.00 0.00 C ATOM 648 O PHE A 46 2.464 -1.665 -7.167 1.00 0.00 O ATOM 649 CB PHE A 46 0.610 -0.640 -4.496 1.00 0.00 C ATOM 650 CG PHE A 46 -0.273 -1.705 -5.082 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.190 -1.395 -6.073 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.186 -3.016 -4.641 1.00 0.00 C ATOM 653 CE1 PHE A 46 -2.004 -2.372 -6.614 1.00 0.00 C ATOM 654 CE2 PHE A 46 -0.997 -3.997 -5.179 1.00 0.00 C ATOM 655 CZ PHE A 46 -1.908 -3.675 -6.166 1.00 0.00 C ATOM 0 H PHE A 46 0.412 0.098 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 46 2.391 0.490 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.072 -1.022 -3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.005 0.213 -4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.270 -0.378 -6.427 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.523 -3.274 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.715 -2.117 -7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.919 -5.015 -4.828 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.544 -4.440 -6.586 1.00 0.00 H new ATOM 665 N VAL A 47 3.202 -2.037 -5.075 1.00 0.00 N ATOM 666 CA VAL A 47 3.998 -3.201 -5.445 1.00 0.00 C ATOM 667 C VAL A 47 3.801 -4.340 -4.452 1.00 0.00 C ATOM 668 O VAL A 47 4.247 -4.264 -3.306 1.00 0.00 O ATOM 669 CB VAL A 47 5.497 -2.855 -5.522 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.305 -4.068 -5.957 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.726 -1.685 -6.467 1.00 0.00 C ATOM 0 H VAL A 47 3.240 -1.798 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 47 3.655 -3.518 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 47 5.835 -2.562 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.361 -3.803 -6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.166 -4.875 -5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.968 -4.396 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.790 -1.454 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.372 -1.948 -7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.180 -0.813 -6.106 1.00 0.00 H new ATOM 681 N LYS A 48 3.131 -5.398 -4.897 1.00 0.00 N ATOM 682 CA LYS A 48 2.876 -6.556 -4.049 1.00 0.00 C ATOM 683 C LYS A 48 4.176 -7.105 -3.473 1.00 0.00 C ATOM 684 O LYS A 48 5.045 -7.570 -4.209 1.00 0.00 O ATOM 685 CB LYS A 48 2.156 -7.647 -4.844 1.00 0.00 C ATOM 686 CG LYS A 48 0.644 -7.605 -4.706 1.00 0.00 C ATOM 687 CD LYS A 48 0.191 -8.160 -3.366 1.00 0.00 C ATOM 688 CE LYS A 48 0.412 -9.662 -3.282 1.00 0.00 C ATOM 689 NZ LYS A 48 -0.279 -10.387 -4.384 1.00 0.00 N ATOM 0 H LYS A 48 2.754 -5.477 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 48 2.240 -6.238 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.419 -7.550 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.515 -8.622 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.296 -6.577 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.188 -8.180 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.737 -7.665 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.866 -7.938 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.480 -9.875 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.049 -10.029 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.398 -11.386 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.212 -9.959 -4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.290 -10.323 -5.252 1.00 0.00 H new ATOM 703 N ASN A 49 4.303 -7.050 -2.151 1.00 0.00 N ATOM 704 CA ASN A 49 5.498 -7.543 -1.475 1.00 0.00 C ATOM 705 C ASN A 49 5.160 -8.056 -0.078 1.00 0.00 C ATOM 706 O ASN A 49 4.541 -7.352 0.719 1.00 0.00 O ATOM 707 CB ASN A 49 6.551 -6.437 -1.385 1.00 0.00 C ATOM 708 CG ASN A 49 7.908 -6.965 -0.962 1.00 0.00 C ATOM 709 OD1 ASN A 49 8.124 -8.175 -0.899 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.831 -6.056 -0.669 1.00 0.00 N ATOM 0 H ASN A 49 3.593 -6.669 -1.526 1.00 0.00 H new ATOM 0 HA ASN A 49 5.900 -8.371 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.641 -5.945 -2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.220 -5.681 -0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.763 -6.351 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.608 -5.063 -0.735 1.00 0.00 H new ATOM 717 N ALA A 50 5.573 -9.286 0.210 1.00 0.00 N ATOM 718 CA ALA A 50 5.317 -9.891 1.511 1.00 0.00 C ATOM 719 C ALA A 50 3.869 -9.683 1.939 1.00 0.00 C ATOM 720 O ALA A 50 3.581 -9.490 3.119 1.00 0.00 O ATOM 721 CB ALA A 50 6.265 -9.320 2.555 1.00 0.00 C ATOM 0 H ALA A 50 6.086 -9.882 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 50 5.492 -10.963 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.062 -9.781 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.295 -9.527 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.118 -8.242 2.629 1.00 0.00 H new ATOM 727 N GLY A 51 2.959 -9.723 0.970 1.00 0.00 N ATOM 728 CA GLY A 51 1.550 -9.536 1.267 1.00 0.00 C ATOM 729 C GLY A 51 1.241 -8.133 1.750 1.00 0.00 C ATOM 730 O GLY A 51 0.317 -7.930 2.538 1.00 0.00 O ATOM 0 H GLY A 51 3.172 -9.881 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.962 -9.747 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.244 -10.254 2.027 1.00 0.00 H new ATOM 734 N ARG A 52 2.017 -7.162 1.279 1.00 0.00 N ATOM 735 CA ARG A 52 1.823 -5.771 1.670 1.00 0.00 C ATOM 736 C ARG A 52 1.949 -4.844 0.464 1.00 0.00 C ATOM 737 O ARG A 52 2.789 -5.058 -0.411 1.00 0.00 O ATOM 738 CB ARG A 52 2.840 -5.374 2.741 1.00 0.00 C ATOM 739 CG ARG A 52 2.766 -6.226 3.997 1.00 0.00 C ATOM 740 CD ARG A 52 3.956 -5.976 4.911 1.00 0.00 C ATOM 741 NE ARG A 52 4.137 -7.053 5.881 1.00 0.00 N ATOM 742 CZ ARG A 52 4.750 -6.895 7.048 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.238 -5.710 7.390 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.876 -7.923 7.878 1.00 0.00 N ATOM 0 H ARG A 52 2.786 -7.313 0.626 1.00 0.00 H new ATOM 0 HA ARG A 52 0.817 -5.671 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.843 -5.447 2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.682 -4.330 3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.842 -6.007 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.733 -7.280 3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.860 -5.874 4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.816 -5.033 5.439 1.00 0.00 H new ATOM 0 HE ARG A 52 3.773 -7.977 5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.143 -4.917 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.708 -5.592 8.287 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.502 -8.836 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.347 -7.800 8.774 1.00 0.00 H new ATOM 758 N HIS A 53 1.109 -3.815 0.425 1.00 0.00 N ATOM 759 CA HIS A 53 1.126 -2.855 -0.673 1.00 0.00 C ATOM 760 C HIS A 53 2.149 -1.753 -0.415 1.00 0.00 C ATOM 761 O HIS A 53 1.947 -0.892 0.442 1.00 0.00 O ATOM 762 CB HIS A 53 -0.262 -2.243 -0.866 1.00 0.00 C ATOM 763 CG HIS A 53 -0.782 -1.544 0.351 1.00 0.00 C ATOM 764 ND1 HIS A 53 -0.140 -1.576 1.571 1.00 0.00 N ATOM 765 CD2 HIS A 53 -1.891 -0.788 0.532 1.00 0.00 C ATOM 766 CE1 HIS A 53 -0.831 -0.873 2.449 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.898 -0.383 1.844 1.00 0.00 N ATOM 0 H HIS A 53 0.408 -3.624 1.141 1.00 0.00 H new ATOM 0 HA HIS A 53 1.410 -3.385 -1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.226 -1.535 -1.694 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.961 -3.030 -1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.632 -0.548 -0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.568 -0.724 3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.611 0.201 2.280 1.00 0.00 H new ATOM 776 N LEU A 54 3.248 -1.786 -1.161 1.00 0.00 N ATOM 777 CA LEU A 54 4.304 -0.791 -1.013 1.00 0.00 C ATOM 778 C LEU A 54 4.446 0.045 -2.281 1.00 0.00 C ATOM 779 O LEU A 54 3.883 -0.289 -3.324 1.00 0.00 O ATOM 780 CB LEU A 54 5.633 -1.473 -0.687 1.00 0.00 C ATOM 781 CG LEU A 54 5.545 -2.747 0.154 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.867 -3.498 0.126 1.00 0.00 C ATOM 783 CD2 LEU A 54 5.149 -2.415 1.585 1.00 0.00 C ATOM 0 H LEU A 54 3.431 -2.491 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 54 4.032 -0.128 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.134 -1.714 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.266 -0.758 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 54 4.776 -3.390 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.785 -4.402 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.110 -3.769 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.655 -2.862 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.091 -3.334 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.894 -1.752 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.177 -1.921 1.588 1.00 0.00 H new ATOM 795 N CYS A 55 5.204 1.132 -2.185 1.00 0.00 N ATOM 796 CA CYS A 55 5.422 2.016 -3.324 1.00 0.00 C ATOM 797 C CYS A 55 6.793 1.770 -3.948 1.00 0.00 C ATOM 798 O CYS A 55 7.740 1.387 -3.260 1.00 0.00 O ATOM 799 CB CYS A 55 5.301 3.479 -2.892 1.00 0.00 C ATOM 800 SG CYS A 55 6.635 4.040 -1.786 1.00 0.00 S ATOM 0 H CYS A 55 5.678 1.422 -1.330 1.00 0.00 H new ATOM 0 HA CYS A 55 4.658 1.801 -4.071 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.291 4.110 -3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.344 3.621 -2.390 1.00 0.00 H new ATOM 805 N ARG A 56 6.891 1.993 -5.254 1.00 0.00 N ATOM 806 CA ARG A 56 8.145 1.795 -5.971 1.00 0.00 C ATOM 807 C ARG A 56 9.336 2.193 -5.104 1.00 0.00 C ATOM 808 O ARG A 56 10.282 1.427 -4.917 1.00 0.00 O ATOM 809 CB ARG A 56 8.150 2.609 -7.267 1.00 0.00 C ATOM 810 CG ARG A 56 7.788 1.795 -8.499 1.00 0.00 C ATOM 811 CD ARG A 56 8.526 2.292 -9.732 1.00 0.00 C ATOM 812 NE ARG A 56 9.787 1.584 -9.938 1.00 0.00 N ATOM 813 CZ ARG A 56 10.815 2.093 -10.606 1.00 0.00 C ATOM 814 NH1 ARG A 56 10.733 3.308 -11.131 1.00 0.00 N ATOM 815 NH2 ARG A 56 11.929 1.387 -10.752 1.00 0.00 N ATOM 0 H ARG A 56 6.117 2.311 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 56 8.232 0.736 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.447 3.436 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.139 3.046 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.030 0.746 -8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.713 1.851 -8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.892 2.166 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.722 3.360 -9.631 1.00 0.00 H new ATOM 0 HE ARG A 56 9.883 0.647 -9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.878 3.854 -11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.525 3.696 -11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.996 0.452 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.718 1.780 -11.266 1.00 0.00 H new ATOM 829 N PRO A 57 9.290 3.419 -4.561 1.00 0.00 N ATOM 830 CA PRO A 57 10.357 3.945 -3.705 1.00 0.00 C ATOM 831 C PRO A 57 10.774 2.955 -2.623 1.00 0.00 C ATOM 832 O PRO A 57 11.904 2.466 -2.617 1.00 0.00 O ATOM 833 CB PRO A 57 9.725 5.190 -3.076 1.00 0.00 C ATOM 834 CG PRO A 57 8.684 5.620 -4.051 1.00 0.00 C ATOM 835 CD PRO A 57 8.194 4.384 -4.742 1.00 0.00 C ATOM 0 HA PRO A 57 11.268 4.150 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.287 4.964 -2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.466 5.973 -2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.865 6.128 -3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.098 6.326 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.266 4.021 -4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.995 4.569 -5.798 1.00 0.00 H new ATOM 843 N CYS A 58 9.855 2.663 -1.709 1.00 0.00 N ATOM 844 CA CYS A 58 10.127 1.730 -0.622 1.00 0.00 C ATOM 845 C CYS A 58 10.520 0.360 -1.166 1.00 0.00 C ATOM 846 O CYS A 58 11.662 -0.076 -1.015 1.00 0.00 O ATOM 847 CB CYS A 58 8.901 1.599 0.284 1.00 0.00 C ATOM 848 SG CYS A 58 8.405 3.154 1.094 1.00 0.00 S ATOM 0 H CYS A 58 8.915 3.059 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 58 10.961 2.123 -0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.064 1.227 -0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.107 0.852 1.051 1.00 0.00 H new ATOM 853 N HIS A 59 9.566 -0.315 -1.799 1.00 0.00 N ATOM 854 CA HIS A 59 9.813 -1.636 -2.367 1.00 0.00 C ATOM 855 C HIS A 59 11.207 -1.712 -2.981 1.00 0.00 C ATOM 856 O HIS A 59 11.953 -2.659 -2.737 1.00 0.00 O ATOM 857 CB HIS A 59 8.758 -1.965 -3.424 1.00 0.00 C ATOM 858 CG HIS A 59 9.095 -3.166 -4.252 1.00 0.00 C ATOM 859 ND1 HIS A 59 9.280 -3.298 -5.587 1.00 0.00 N flip ATOM 860 CD2 HIS A 59 9.278 -4.423 -3.715 1.00 0.00 C flip ATOM 861 CE1 HIS A 59 9.570 -4.619 -5.829 1.00 0.00 C flip ATOM 862 NE2 HIS A 59 9.563 -5.276 -4.683 1.00 0.00 N flip ATOM 0 H HIS A 59 8.615 0.030 -1.932 1.00 0.00 H new ATOM 0 HA HIS A 59 9.750 -2.368 -1.562 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.800 -2.131 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.633 -1.104 -4.081 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.200 -4.671 -2.667 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.771 -5.050 -6.799 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.746 -6.272 -4.565 1.00 0.00 H new ATOM 871 N ASN A 60 11.552 -0.707 -3.781 1.00 0.00 N ATOM 872 CA ASN A 60 12.856 -0.661 -4.431 1.00 0.00 C ATOM 873 C ASN A 60 13.980 -0.767 -3.405 1.00 0.00 C ATOM 874 O ASN A 60 14.969 -1.467 -3.623 1.00 0.00 O ATOM 875 CB ASN A 60 13.003 0.634 -5.234 1.00 0.00 C ATOM 876 CG ASN A 60 12.451 0.508 -6.640 1.00 0.00 C ATOM 877 OD1 ASN A 60 11.566 1.425 -7.013 1.00 0.00 O flip ATOM 878 ND2 ASN A 60 12.817 -0.403 -7.384 1.00 0.00 N flip ATOM 0 H ASN A 60 10.946 0.086 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 60 12.926 -1.512 -5.109 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.486 1.441 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.056 0.910 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.500 -1.086 -7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.438 -0.474 -8.328 1.00 0.00 H new ATOM 885 N ARG A 61 13.821 -0.067 -2.287 1.00 0.00 N ATOM 886 CA ARG A 61 14.822 -0.082 -1.227 1.00 0.00 C ATOM 887 C ARG A 61 15.020 -1.496 -0.686 1.00 0.00 C ATOM 888 O ARG A 61 16.149 -1.932 -0.464 1.00 0.00 O ATOM 889 CB ARG A 61 14.408 0.856 -0.092 1.00 0.00 C ATOM 890 CG ARG A 61 14.516 2.329 -0.449 1.00 0.00 C ATOM 891 CD ARG A 61 13.818 3.205 0.580 1.00 0.00 C ATOM 892 NE ARG A 61 14.040 4.626 0.329 1.00 0.00 N ATOM 893 CZ ARG A 61 13.686 5.586 1.177 1.00 0.00 C ATOM 894 NH1 ARG A 61 13.099 5.278 2.325 1.00 0.00 N ATOM 895 NH2 ARG A 61 13.921 6.857 0.878 1.00 0.00 N ATOM 0 H ARG A 61 13.008 0.518 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 61 15.766 0.263 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.380 0.635 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.031 0.655 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.566 2.612 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.076 2.499 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.748 2.997 0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.180 2.952 1.577 1.00 0.00 H new ATOM 0 HE ARG A 61 14.491 4.897 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.918 4.302 2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.828 6.017 2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.374 7.098 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.649 7.593 1.530 1.00 0.00 H new ATOM 909 N GLU A 62 13.915 -2.204 -0.477 1.00 0.00 N ATOM 910 CA GLU A 62 13.969 -3.567 0.039 1.00 0.00 C ATOM 911 C GLU A 62 14.506 -4.528 -1.018 1.00 0.00 C ATOM 912 O GLU A 62 15.549 -5.155 -0.830 1.00 0.00 O ATOM 913 CB GLU A 62 12.580 -4.018 0.495 1.00 0.00 C ATOM 914 CG GLU A 62 11.838 -2.974 1.312 1.00 0.00 C ATOM 915 CD GLU A 62 12.153 -3.060 2.793 1.00 0.00 C ATOM 916 OE1 GLU A 62 13.248 -2.612 3.193 1.00 0.00 O ATOM 917 OE2 GLU A 62 11.305 -3.576 3.551 1.00 0.00 O ATOM 0 H GLU A 62 12.973 -1.857 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 62 14.646 -3.579 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.984 -4.272 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.679 -4.928 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.097 -1.980 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.765 -3.098 1.165 1.00 0.00 H new ATOM 924 N LYS A 63 13.787 -4.639 -2.129 1.00 0.00 N ATOM 925 CA LYS A 63 14.189 -5.522 -3.217 1.00 0.00 C ATOM 926 C LYS A 63 15.641 -5.271 -3.612 1.00 0.00 C ATOM 927 O LYS A 63 16.371 -6.202 -3.953 1.00 0.00 O ATOM 928 CB LYS A 63 13.278 -5.319 -4.430 1.00 0.00 C ATOM 929 CG LYS A 63 13.289 -3.899 -4.968 1.00 0.00 C ATOM 930 CD LYS A 63 14.323 -3.727 -6.068 1.00 0.00 C ATOM 931 CE LYS A 63 13.882 -4.404 -7.357 1.00 0.00 C ATOM 932 NZ LYS A 63 14.946 -4.359 -8.399 1.00 0.00 N ATOM 0 H LYS A 63 12.921 -4.128 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 63 14.097 -6.551 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.585 -6.001 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.258 -5.587 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.301 -3.648 -5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.501 -3.203 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.488 -2.665 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.275 -4.146 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.619 -5.442 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.983 -3.916 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.607 -4.830 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.179 -3.369 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.795 -4.847 -8.049 1.00 0.00 H new ATOM 946 N ALA A 64 16.055 -4.009 -3.561 1.00 0.00 N ATOM 947 CA ALA A 64 17.420 -3.638 -3.910 1.00 0.00 C ATOM 948 C ALA A 64 18.409 -4.715 -3.477 1.00 0.00 C ATOM 949 O ALA A 64 18.785 -4.792 -2.307 1.00 0.00 O ATOM 950 CB ALA A 64 17.782 -2.302 -3.278 1.00 0.00 C ATOM 0 H ALA A 64 15.464 -3.226 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 64 17.478 -3.542 -4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.805 -2.037 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.101 -1.532 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.700 -2.378 -2.194 1.00 0.00 H new ATOM 956 N SER A 65 18.828 -5.544 -4.428 1.00 0.00 N ATOM 957 CA SER A 65 19.770 -6.620 -4.143 1.00 0.00 C ATOM 958 C SER A 65 21.170 -6.259 -4.631 1.00 0.00 C ATOM 959 O SER A 65 21.848 -7.069 -5.261 1.00 0.00 O ATOM 960 CB SER A 65 19.307 -7.920 -4.803 1.00 0.00 C ATOM 961 OG SER A 65 19.768 -9.050 -4.083 1.00 0.00 O ATOM 0 H SER A 65 18.530 -5.491 -5.402 1.00 0.00 H new ATOM 0 HA SER A 65 19.806 -6.762 -3.063 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.218 -7.937 -4.855 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.676 -7.963 -5.828 1.00 0.00 H new ATOM 0 HG SER A 65 19.457 -9.868 -4.524 1.00 0.00 H new ATOM 967 N GLY A 66 21.596 -5.035 -4.335 1.00 0.00 N ATOM 968 CA GLY A 66 22.912 -4.586 -4.750 1.00 0.00 C ATOM 969 C GLY A 66 24.019 -5.489 -4.242 1.00 0.00 C ATOM 970 O GLY A 66 23.871 -6.183 -3.236 1.00 0.00 O ATOM 0 H GLY A 66 21.053 -4.346 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 66 22.952 -4.544 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 66 23.078 -3.572 -4.386 1.00 0.00 H new ATOM 974 N PRO A 67 25.160 -5.487 -4.947 1.00 0.00 N ATOM 975 CA PRO A 67 26.318 -6.307 -4.581 1.00 0.00 C ATOM 976 C PRO A 67 26.993 -5.820 -3.304 1.00 0.00 C ATOM 977 O PRO A 67 27.988 -6.393 -2.858 1.00 0.00 O ATOM 978 CB PRO A 67 27.259 -6.146 -5.778 1.00 0.00 C ATOM 979 CG PRO A 67 26.886 -4.835 -6.380 1.00 0.00 C ATOM 980 CD PRO A 67 25.407 -4.684 -6.157 1.00 0.00 C ATOM 0 HA PRO A 67 26.037 -7.340 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 67 28.303 -6.155 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 67 27.134 -6.960 -6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 67 27.437 -4.019 -5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 67 27.125 -4.811 -7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 67 25.127 -3.641 -6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 67 24.833 -5.052 -7.007 1.00 0.00 H new ATOM 988 N SER A 68 26.445 -4.760 -2.718 1.00 0.00 N ATOM 989 CA SER A 68 26.997 -4.193 -1.493 1.00 0.00 C ATOM 990 C SER A 68 26.792 -5.142 -0.315 1.00 0.00 C ATOM 991 O SER A 68 25.690 -5.253 0.222 1.00 0.00 O ATOM 992 CB SER A 68 26.346 -2.842 -1.192 1.00 0.00 C ATOM 993 OG SER A 68 26.965 -2.213 -0.084 1.00 0.00 O ATOM 0 H SER A 68 25.619 -4.277 -3.072 1.00 0.00 H new ATOM 0 HA SER A 68 28.067 -4.048 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 68 26.419 -2.197 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 68 25.285 -2.984 -0.987 1.00 0.00 H new ATOM 0 HG SER A 68 26.532 -1.351 0.087 1.00 0.00 H new ATOM 999 N SER A 69 27.862 -5.825 0.079 1.00 0.00 N ATOM 1000 CA SER A 69 27.800 -6.768 1.190 1.00 0.00 C ATOM 1001 C SER A 69 26.722 -7.821 0.950 1.00 0.00 C ATOM 1002 O SER A 69 25.911 -8.108 1.829 1.00 0.00 O ATOM 1003 CB SER A 69 27.521 -6.027 2.500 1.00 0.00 C ATOM 1004 OG SER A 69 28.603 -5.180 2.847 1.00 0.00 O ATOM 0 H SER A 69 28.782 -5.743 -0.354 1.00 0.00 H new ATOM 0 HA SER A 69 28.765 -7.270 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 69 26.610 -5.437 2.401 1.00 0.00 H new ATOM 0 HB3 SER A 69 27.348 -6.748 3.299 1.00 0.00 H new ATOM 0 HG SER A 69 28.400 -4.717 3.686 1.00 0.00 H new ATOM 1010 N GLY A 70 26.721 -8.394 -0.250 1.00 0.00 N ATOM 1011 CA GLY A 70 25.740 -9.409 -0.587 1.00 0.00 C ATOM 1012 C GLY A 70 26.349 -10.793 -0.689 1.00 0.00 C ATOM 1013 O GLY A 70 26.433 -11.330 -1.792 1.00 0.00 O ATOM 0 H GLY A 70 27.382 -8.173 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 70 24.955 -9.416 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 70 25.268 -9.153 -1.535 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.300 4.276 2.432 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.566 3.558 0.402 1.00 0.00 ZN