USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 484 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 NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 MET CE :methyl 135:sc= -0.458 (180deg=-0.883) 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 USER MOD Single : A 5 SER OG : rot 32:sc= 0.442 USER MOD Single : A 6 SER OG : rot 46:sc= 0.829 USER MOD Single : A 10 SER OG : rot 160:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.813 K(o=-0.81,f=-1.6) USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00304 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl 148:sc= -0.167 (180deg=-1.46) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0874 K(o=-0.087,f=-0.84) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.955 14.135 17.539 1.00 0.00 N ATOM 2 CA GLY A 1 8.853 14.941 18.346 1.00 0.00 C ATOM 3 C GLY A 1 9.336 16.178 17.615 1.00 0.00 C ATOM 4 O GLY A 1 8.533 16.993 17.163 1.00 0.00 O ATOM 0 H1 GLY A 1 7.653 13.302 18.083 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.121 14.699 17.279 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.447 13.826 16.676 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.344 15.240 19.262 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.712 14.338 18.641 1.00 0.00 H new ATOM 8 N SER A 2 10.653 16.319 17.499 1.00 0.00 N ATOM 9 CA SER A 2 11.242 17.468 16.823 1.00 0.00 C ATOM 10 C SER A 2 11.373 17.209 15.325 1.00 0.00 C ATOM 11 O SER A 2 10.804 17.932 14.507 1.00 0.00 O ATOM 12 CB SER A 2 12.615 17.788 17.418 1.00 0.00 C ATOM 13 OG SER A 2 13.234 18.859 16.725 1.00 0.00 O ATOM 0 H SER A 2 11.332 15.651 17.865 1.00 0.00 H new ATOM 0 HA SER A 2 10.581 18.322 16.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.507 18.046 18.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.251 16.904 17.370 1.00 0.00 H new ATOM 0 HG SER A 2 14.109 19.045 17.125 1.00 0.00 H new ATOM 19 N SER A 3 12.127 16.172 14.974 1.00 0.00 N ATOM 20 CA SER A 3 12.336 15.819 13.575 1.00 0.00 C ATOM 21 C SER A 3 11.192 14.953 13.056 1.00 0.00 C ATOM 22 O SER A 3 11.250 13.726 13.118 1.00 0.00 O ATOM 23 CB SER A 3 13.666 15.081 13.406 1.00 0.00 C ATOM 24 OG SER A 3 13.846 14.653 12.068 1.00 0.00 O ATOM 0 H SER A 3 12.603 15.562 15.639 1.00 0.00 H new ATOM 0 HA SER A 3 12.363 16.741 12.994 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.488 15.736 13.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.695 14.220 14.073 1.00 0.00 H new ATOM 0 HG SER A 3 14.704 14.186 11.987 1.00 0.00 H new ATOM 30 N GLY A 4 10.151 15.603 12.543 1.00 0.00 N ATOM 31 CA GLY A 4 9.008 14.878 12.021 1.00 0.00 C ATOM 32 C GLY A 4 8.970 14.868 10.506 1.00 0.00 C ATOM 33 O GLY A 4 8.142 15.544 9.894 1.00 0.00 O ATOM 0 H GLY A 4 10.080 16.619 12.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.034 13.852 12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.091 15.329 12.401 1.00 0.00 H new ATOM 37 N SER A 5 9.869 14.101 9.898 1.00 0.00 N ATOM 38 CA SER A 5 9.939 14.011 8.444 1.00 0.00 C ATOM 39 C SER A 5 8.613 13.526 7.866 1.00 0.00 C ATOM 40 O SER A 5 8.258 12.355 7.995 1.00 0.00 O ATOM 41 CB SER A 5 11.067 13.066 8.025 1.00 0.00 C ATOM 42 OG SER A 5 10.925 11.797 8.640 1.00 0.00 O ATOM 0 H SER A 5 10.559 13.533 10.389 1.00 0.00 H new ATOM 0 HA SER A 5 10.144 15.007 8.052 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.065 12.950 6.941 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.029 13.500 8.297 1.00 0.00 H new ATOM 0 HG SER A 5 9.974 11.602 8.772 1.00 0.00 H new ATOM 48 N SER A 6 7.885 14.437 7.228 1.00 0.00 N ATOM 49 CA SER A 6 6.596 14.106 6.632 1.00 0.00 C ATOM 50 C SER A 6 6.757 13.735 5.161 1.00 0.00 C ATOM 51 O SER A 6 6.591 14.574 4.276 1.00 0.00 O ATOM 52 CB SER A 6 5.628 15.282 6.771 1.00 0.00 C ATOM 53 OG SER A 6 6.132 16.436 6.121 1.00 0.00 O ATOM 0 H SER A 6 8.166 15.410 7.111 1.00 0.00 H new ATOM 0 HA SER A 6 6.188 13.246 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.661 15.014 6.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.462 15.498 7.826 1.00 0.00 H new ATOM 0 HG SER A 6 6.476 16.190 5.237 1.00 0.00 H new ATOM 59 N GLY A 7 7.081 12.471 4.907 1.00 0.00 N ATOM 60 CA GLY A 7 7.259 12.011 3.542 1.00 0.00 C ATOM 61 C GLY A 7 6.754 10.596 3.337 1.00 0.00 C ATOM 62 O GLY A 7 5.549 10.348 3.374 1.00 0.00 O ATOM 0 H GLY A 7 7.223 11.757 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.733 12.683 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.316 12.058 3.281 1.00 0.00 H new ATOM 66 N CYS A 8 7.678 9.666 3.119 1.00 0.00 N ATOM 67 CA CYS A 8 7.321 8.269 2.905 1.00 0.00 C ATOM 68 C CYS A 8 6.759 7.649 4.181 1.00 0.00 C ATOM 69 O CYS A 8 7.466 7.510 5.179 1.00 0.00 O ATOM 70 CB CYS A 8 8.541 7.475 2.433 1.00 0.00 C ATOM 71 SG CYS A 8 8.213 5.706 2.148 1.00 0.00 S ATOM 0 H CYS A 8 8.680 9.855 3.086 1.00 0.00 H new ATOM 0 HA CYS A 8 6.551 8.231 2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.914 7.918 1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.333 7.572 3.175 1.00 0.00 H new ATOM 76 N ASP A 9 5.484 7.278 4.140 1.00 0.00 N ATOM 77 CA ASP A 9 4.827 6.672 5.292 1.00 0.00 C ATOM 78 C ASP A 9 5.097 5.171 5.344 1.00 0.00 C ATOM 79 O ASP A 9 4.231 4.388 5.734 1.00 0.00 O ATOM 80 CB ASP A 9 3.321 6.930 5.242 1.00 0.00 C ATOM 81 CG ASP A 9 2.943 8.272 5.839 1.00 0.00 C ATOM 82 OD1 ASP A 9 2.712 8.333 7.065 1.00 0.00 O ATOM 83 OD2 ASP A 9 2.880 9.262 5.080 1.00 0.00 O ATOM 0 H ASP A 9 4.885 7.386 3.322 1.00 0.00 H new ATOM 0 HA ASP A 9 5.236 7.128 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.982 6.888 4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.801 6.137 5.780 1.00 0.00 H new ATOM 88 N SER A 10 6.303 4.777 4.947 1.00 0.00 N ATOM 89 CA SER A 10 6.685 3.370 4.943 1.00 0.00 C ATOM 90 C SER A 10 8.067 3.181 5.560 1.00 0.00 C ATOM 91 O SER A 10 8.272 2.300 6.396 1.00 0.00 O ATOM 92 CB SER A 10 6.671 2.820 3.516 1.00 0.00 C ATOM 93 OG SER A 10 7.047 1.454 3.492 1.00 0.00 O ATOM 0 H SER A 10 7.032 5.413 4.624 1.00 0.00 H new ATOM 0 HA SER A 10 5.960 2.820 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.675 2.934 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.353 3.399 2.893 1.00 0.00 H new ATOM 0 HG SER A 10 6.732 1.043 2.660 1.00 0.00 H new ATOM 99 N CYS A 11 9.014 4.015 5.142 1.00 0.00 N ATOM 100 CA CYS A 11 10.378 3.941 5.651 1.00 0.00 C ATOM 101 C CYS A 11 10.787 5.259 6.303 1.00 0.00 C ATOM 102 O CYS A 11 11.964 5.617 6.314 1.00 0.00 O ATOM 103 CB CYS A 11 11.349 3.596 4.520 1.00 0.00 C ATOM 104 SG CYS A 11 11.497 4.889 3.246 1.00 0.00 S ATOM 0 H CYS A 11 8.861 4.750 4.452 1.00 0.00 H new ATOM 0 HA CYS A 11 10.416 3.155 6.405 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.334 3.407 4.947 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.024 2.670 4.046 1.00 0.00 H new ATOM 109 N GLU A 12 9.806 5.974 6.845 1.00 0.00 N ATOM 110 CA GLU A 12 10.065 7.252 7.498 1.00 0.00 C ATOM 111 C GLU A 12 11.193 8.003 6.797 1.00 0.00 C ATOM 112 O GLU A 12 12.201 8.349 7.413 1.00 0.00 O ATOM 113 CB GLU A 12 10.420 7.035 8.971 1.00 0.00 C ATOM 114 CG GLU A 12 9.262 6.513 9.805 1.00 0.00 C ATOM 115 CD GLU A 12 9.705 5.515 10.858 1.00 0.00 C ATOM 116 OE1 GLU A 12 10.158 5.951 11.936 1.00 0.00 O ATOM 117 OE2 GLU A 12 9.598 4.297 10.602 1.00 0.00 O ATOM 0 H GLU A 12 8.826 5.691 6.845 1.00 0.00 H new ATOM 0 HA GLU A 12 9.158 7.853 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.250 6.332 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.767 7.977 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.762 7.351 10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.530 6.042 9.149 1.00 0.00 H new ATOM 124 N LYS A 13 11.017 8.251 5.504 1.00 0.00 N ATOM 125 CA LYS A 13 12.018 8.961 4.716 1.00 0.00 C ATOM 126 C LYS A 13 11.356 9.917 3.729 1.00 0.00 C ATOM 127 O LYS A 13 10.382 9.563 3.066 1.00 0.00 O ATOM 128 CB LYS A 13 12.904 7.966 3.963 1.00 0.00 C ATOM 129 CG LYS A 13 13.692 7.042 4.875 1.00 0.00 C ATOM 130 CD LYS A 13 15.188 7.279 4.751 1.00 0.00 C ATOM 131 CE LYS A 13 15.943 6.712 5.944 1.00 0.00 C ATOM 132 NZ LYS A 13 16.991 7.650 6.434 1.00 0.00 N ATOM 0 H LYS A 13 10.189 7.970 4.978 1.00 0.00 H new ATOM 0 HA LYS A 13 12.636 9.543 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.280 7.365 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.599 8.518 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.382 7.198 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.465 6.005 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.556 6.818 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.383 8.348 4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.241 6.499 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.405 5.765 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.483 7.227 7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.675 7.834 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.548 8.545 6.725 1.00 0.00 H new ATOM 146 N TYR A 14 11.892 11.129 3.637 1.00 0.00 N ATOM 147 CA TYR A 14 11.353 12.136 2.731 1.00 0.00 C ATOM 148 C TYR A 14 11.425 11.661 1.283 1.00 0.00 C ATOM 149 O TYR A 14 12.099 10.678 0.973 1.00 0.00 O ATOM 150 CB TYR A 14 12.116 13.453 2.886 1.00 0.00 C ATOM 151 CG TYR A 14 11.313 14.669 2.483 1.00 0.00 C ATOM 152 CD1 TYR A 14 10.126 14.987 3.131 1.00 0.00 C ATOM 153 CD2 TYR A 14 11.741 15.498 1.454 1.00 0.00 C ATOM 154 CE1 TYR A 14 9.388 16.097 2.766 1.00 0.00 C ATOM 155 CE2 TYR A 14 11.010 16.611 1.084 1.00 0.00 C ATOM 156 CZ TYR A 14 9.835 16.906 1.742 1.00 0.00 C ATOM 157 OH TYR A 14 9.104 18.013 1.375 1.00 0.00 O ATOM 0 H TYR A 14 12.699 11.438 4.179 1.00 0.00 H new ATOM 0 HA TYR A 14 10.307 12.297 2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.428 13.562 3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.023 13.411 2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.774 14.356 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.660 15.269 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.467 16.330 3.279 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.358 17.247 0.283 1.00 0.00 H new ATOM 0 HH TYR A 14 9.557 18.475 0.639 1.00 0.00 H new ATOM 167 N ILE A 15 10.726 12.367 0.400 1.00 0.00 N ATOM 168 CA ILE A 15 10.712 12.019 -1.015 1.00 0.00 C ATOM 169 C ILE A 15 10.968 13.246 -1.885 1.00 0.00 C ATOM 170 O ILE A 15 10.083 14.079 -2.079 1.00 0.00 O ATOM 171 CB ILE A 15 9.370 11.384 -1.426 1.00 0.00 C ATOM 172 CG1 ILE A 15 8.978 10.285 -0.436 1.00 0.00 C ATOM 173 CG2 ILE A 15 9.458 10.826 -2.838 1.00 0.00 C ATOM 174 CD1 ILE A 15 7.645 9.640 -0.747 1.00 0.00 C ATOM 0 H ILE A 15 10.163 13.183 0.640 1.00 0.00 H new ATOM 0 HA ILE A 15 11.510 11.293 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 15 8.599 12.155 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.752 9.517 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.943 10.707 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.502 10.381 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.697 11.631 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.238 10.066 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.431 8.871 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.860 10.396 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.682 9.188 -1.738 1.00 0.00 H new ATOM 186 N THR A 16 12.186 13.349 -2.409 1.00 0.00 N ATOM 187 CA THR A 16 12.559 14.473 -3.259 1.00 0.00 C ATOM 188 C THR A 16 11.761 14.469 -4.557 1.00 0.00 C ATOM 189 O THR A 16 11.414 15.523 -5.088 1.00 0.00 O ATOM 190 CB THR A 16 14.062 14.449 -3.593 1.00 0.00 C ATOM 191 OG1 THR A 16 14.441 13.148 -4.056 1.00 0.00 O ATOM 192 CG2 THR A 16 14.894 14.821 -2.375 1.00 0.00 C ATOM 0 H THR A 16 12.930 12.668 -2.260 1.00 0.00 H new ATOM 0 HA THR A 16 12.333 15.381 -2.700 1.00 0.00 H new ATOM 0 HB THR A 16 14.248 15.182 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.398 13.142 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.952 14.797 -2.636 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.625 15.824 -2.043 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.702 14.109 -1.572 1.00 0.00 H new ATOM 200 N GLY A 17 11.472 13.274 -5.066 1.00 0.00 N ATOM 201 CA GLY A 17 10.716 13.156 -6.299 1.00 0.00 C ATOM 202 C GLY A 17 9.222 13.071 -6.057 1.00 0.00 C ATOM 203 O GLY A 17 8.701 13.684 -5.125 1.00 0.00 O ATOM 0 H GLY A 17 11.748 12.386 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.930 14.014 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.045 12.268 -6.840 1.00 0.00 H new ATOM 207 N ARG A 18 8.530 12.309 -6.898 1.00 0.00 N ATOM 208 CA ARG A 18 7.087 12.148 -6.773 1.00 0.00 C ATOM 209 C ARG A 18 6.745 11.150 -5.671 1.00 0.00 C ATOM 210 O ARG A 18 7.590 10.361 -5.249 1.00 0.00 O ATOM 211 CB ARG A 18 6.487 11.683 -8.101 1.00 0.00 C ATOM 212 CG ARG A 18 6.144 12.823 -9.047 1.00 0.00 C ATOM 213 CD ARG A 18 5.074 13.731 -8.461 1.00 0.00 C ATOM 214 NE ARG A 18 3.793 13.580 -9.146 1.00 0.00 N ATOM 215 CZ ARG A 18 2.766 14.405 -8.975 1.00 0.00 C ATOM 216 NH1 ARG A 18 2.870 15.434 -8.145 1.00 0.00 N ATOM 217 NH2 ARG A 18 1.633 14.202 -9.634 1.00 0.00 N ATOM 0 H ARG A 18 8.946 11.793 -7.674 1.00 0.00 H new ATOM 0 HA ARG A 18 6.660 13.116 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.192 11.013 -8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.585 11.105 -7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.041 13.405 -9.257 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.797 12.417 -9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.948 13.506 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.402 14.768 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 18 3.681 12.798 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.740 15.593 -7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.080 16.066 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.549 13.412 -10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.845 14.836 -9.502 1.00 0.00 H new ATOM 231 N VAL A 19 5.499 11.190 -5.209 1.00 0.00 N ATOM 232 CA VAL A 19 5.044 10.289 -4.157 1.00 0.00 C ATOM 233 C VAL A 19 3.747 9.593 -4.552 1.00 0.00 C ATOM 234 O VAL A 19 2.952 10.129 -5.326 1.00 0.00 O ATOM 235 CB VAL A 19 4.827 11.040 -2.830 1.00 0.00 C ATOM 236 CG1 VAL A 19 6.008 11.953 -2.534 1.00 0.00 C ATOM 237 CG2 VAL A 19 3.529 11.831 -2.872 1.00 0.00 C ATOM 0 H VAL A 19 4.787 11.837 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 19 5.826 9.542 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 19 4.754 10.308 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.837 12.475 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.918 11.358 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.116 12.681 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.392 12.355 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.570 12.555 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.693 11.150 -3.034 1.00 0.00 H new ATOM 247 N LEU A 20 3.537 8.396 -4.015 1.00 0.00 N ATOM 248 CA LEU A 20 2.334 7.625 -4.311 1.00 0.00 C ATOM 249 C LEU A 20 1.199 8.003 -3.365 1.00 0.00 C ATOM 250 O LEU A 20 1.067 7.436 -2.281 1.00 0.00 O ATOM 251 CB LEU A 20 2.625 6.127 -4.204 1.00 0.00 C ATOM 252 CG LEU A 20 3.310 5.488 -5.413 1.00 0.00 C ATOM 253 CD1 LEU A 20 3.957 4.168 -5.024 1.00 0.00 C ATOM 254 CD2 LEU A 20 2.313 5.283 -6.544 1.00 0.00 C ATOM 0 H LEU A 20 4.184 7.938 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 20 2.025 7.857 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.251 5.961 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.684 5.606 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 20 4.092 6.163 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.439 3.728 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.702 4.343 -4.247 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.194 3.486 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.818 4.827 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.509 4.629 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.897 6.246 -6.841 1.00 0.00 H new ATOM 266 N GLU A 21 0.380 8.963 -3.785 1.00 0.00 N ATOM 267 CA GLU A 21 -0.745 9.415 -2.975 1.00 0.00 C ATOM 268 C GLU A 21 -1.886 8.403 -3.016 1.00 0.00 C ATOM 269 O GLU A 21 -2.545 8.236 -4.041 1.00 0.00 O ATOM 270 CB GLU A 21 -1.239 10.778 -3.464 1.00 0.00 C ATOM 271 CG GLU A 21 -1.706 10.772 -4.910 1.00 0.00 C ATOM 272 CD GLU A 21 -3.209 10.930 -5.038 1.00 0.00 C ATOM 273 OE1 GLU A 21 -3.785 11.750 -4.293 1.00 0.00 O ATOM 274 OE2 GLU A 21 -3.809 10.233 -5.883 1.00 0.00 O ATOM 0 H GLU A 21 0.475 9.442 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.403 9.509 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.060 11.108 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.437 11.507 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.212 11.579 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.401 9.838 -5.383 1.00 0.00 H new ATOM 281 N ALA A 22 -2.112 7.729 -1.892 1.00 0.00 N ATOM 282 CA ALA A 22 -3.174 6.735 -1.799 1.00 0.00 C ATOM 283 C ALA A 22 -4.084 7.013 -0.607 1.00 0.00 C ATOM 284 O ALA A 22 -3.668 6.894 0.545 1.00 0.00 O ATOM 285 CB ALA A 22 -2.580 5.338 -1.697 1.00 0.00 C ATOM 0 H ALA A 22 -1.574 7.854 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.777 6.797 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.384 4.605 -1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.977 5.133 -2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.953 5.273 -0.808 1.00 0.00 H new ATOM 291 N GLY A 23 -5.328 7.387 -0.892 1.00 0.00 N ATOM 292 CA GLY A 23 -6.276 7.678 0.167 1.00 0.00 C ATOM 293 C GLY A 23 -5.960 8.973 0.888 1.00 0.00 C ATOM 294 O GLY A 23 -6.551 10.012 0.598 1.00 0.00 O ATOM 0 H GLY A 23 -5.696 7.493 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.280 7.736 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.278 6.857 0.884 1.00 0.00 H new ATOM 298 N GLU A 24 -5.027 8.909 1.833 1.00 0.00 N ATOM 299 CA GLU A 24 -4.636 10.087 2.600 1.00 0.00 C ATOM 300 C GLU A 24 -3.193 9.968 3.082 1.00 0.00 C ATOM 301 O GLU A 24 -2.764 10.695 3.978 1.00 0.00 O ATOM 302 CB GLU A 24 -5.571 10.277 3.796 1.00 0.00 C ATOM 303 CG GLU A 24 -6.702 11.258 3.535 1.00 0.00 C ATOM 304 CD GLU A 24 -8.067 10.666 3.826 1.00 0.00 C ATOM 305 OE1 GLU A 24 -8.589 9.928 2.964 1.00 0.00 O ATOM 306 OE2 GLU A 24 -8.614 10.940 4.914 1.00 0.00 O ATOM 0 H GLU A 24 -4.529 8.056 2.086 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.712 10.956 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.995 9.312 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.989 10.625 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.557 12.146 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.665 11.581 2.495 1.00 0.00 H new ATOM 313 N LYS A 25 -2.450 9.045 2.482 1.00 0.00 N ATOM 314 CA LYS A 25 -1.055 8.829 2.848 1.00 0.00 C ATOM 315 C LYS A 25 -0.152 8.909 1.621 1.00 0.00 C ATOM 316 O LYS A 25 -0.623 9.127 0.504 1.00 0.00 O ATOM 317 CB LYS A 25 -0.889 7.468 3.528 1.00 0.00 C ATOM 318 CG LYS A 25 -1.480 7.411 4.926 1.00 0.00 C ATOM 319 CD LYS A 25 -0.401 7.236 5.981 1.00 0.00 C ATOM 320 CE LYS A 25 -0.995 7.152 7.378 1.00 0.00 C ATOM 321 NZ LYS A 25 -0.922 8.457 8.091 1.00 0.00 N ATOM 0 H LYS A 25 -2.790 8.434 1.740 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.763 9.615 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.361 6.703 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.172 7.225 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.038 8.326 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.189 6.585 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.170 6.331 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.297 8.072 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.035 6.832 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.464 6.394 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.337 8.358 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.072 8.751 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.450 9.175 7.555 1.00 0.00 H new ATOM 335 N HIS A 26 1.148 8.731 1.836 1.00 0.00 N ATOM 336 CA HIS A 26 2.117 8.782 0.746 1.00 0.00 C ATOM 337 C HIS A 26 3.287 7.840 1.016 1.00 0.00 C ATOM 338 O HIS A 26 3.598 7.534 2.167 1.00 0.00 O ATOM 339 CB HIS A 26 2.629 10.210 0.557 1.00 0.00 C ATOM 340 CG HIS A 26 1.597 11.259 0.838 1.00 0.00 C ATOM 341 ND1 HIS A 26 1.273 11.673 2.112 1.00 0.00 N ATOM 342 CD2 HIS A 26 0.817 11.979 -0.001 1.00 0.00 C ATOM 343 CE1 HIS A 26 0.336 12.602 2.045 1.00 0.00 C ATOM 344 NE2 HIS A 26 0.042 12.807 0.774 1.00 0.00 N ATOM 0 H HIS A 26 1.555 8.550 2.754 1.00 0.00 H new ATOM 0 HA HIS A 26 1.617 8.460 -0.168 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.485 10.370 1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.985 10.327 -0.467 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.806 11.915 -1.079 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.113 13.108 2.887 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.648 13.472 0.425 1.00 0.00 H new ATOM 352 N TYR A 27 3.931 7.384 -0.053 1.00 0.00 N ATOM 353 CA TYR A 27 5.064 6.475 0.068 1.00 0.00 C ATOM 354 C TYR A 27 5.990 6.594 -1.138 1.00 0.00 C ATOM 355 O TYR A 27 5.690 7.307 -2.097 1.00 0.00 O ATOM 356 CB TYR A 27 4.575 5.032 0.209 1.00 0.00 C ATOM 357 CG TYR A 27 3.345 4.892 1.078 1.00 0.00 C ATOM 358 CD1 TYR A 27 2.071 5.020 0.539 1.00 0.00 C ATOM 359 CD2 TYR A 27 3.458 4.630 2.438 1.00 0.00 C ATOM 360 CE1 TYR A 27 0.945 4.894 1.329 1.00 0.00 C ATOM 361 CE2 TYR A 27 2.338 4.500 3.236 1.00 0.00 C ATOM 362 CZ TYR A 27 1.084 4.633 2.677 1.00 0.00 C ATOM 363 OH TYR A 27 -0.036 4.505 3.467 1.00 0.00 O ATOM 0 H TYR A 27 3.687 7.629 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 27 5.624 6.751 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.357 4.633 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.377 4.425 0.628 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.959 5.222 -0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.439 4.526 2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.038 4.999 0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.444 4.295 4.291 1.00 0.00 H new ATOM 0 HH TYR A 27 0.235 4.321 4.391 1.00 0.00 H new ATOM 373 N HIS A 28 7.116 5.891 -1.084 1.00 0.00 N ATOM 374 CA HIS A 28 8.087 5.916 -2.172 1.00 0.00 C ATOM 375 C HIS A 28 7.546 5.188 -3.399 1.00 0.00 C ATOM 376 O HIS A 28 6.605 4.399 -3.318 1.00 0.00 O ATOM 377 CB HIS A 28 9.403 5.279 -1.725 1.00 0.00 C ATOM 378 CG HIS A 28 10.368 6.254 -1.125 1.00 0.00 C ATOM 379 ND1 HIS A 28 10.888 6.114 0.144 1.00 0.00 N ATOM 380 CD2 HIS A 28 10.909 7.388 -1.629 1.00 0.00 C ATOM 381 CE1 HIS A 28 11.705 7.121 0.396 1.00 0.00 C ATOM 382 NE2 HIS A 28 11.736 7.908 -0.665 1.00 0.00 N ATOM 0 H HIS A 28 7.379 5.296 -0.298 1.00 0.00 H new ATOM 0 HA HIS A 28 8.269 6.957 -2.440 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.189 4.497 -0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.873 4.796 -2.582 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.724 7.806 -2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.254 7.275 1.313 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.285 8.763 -0.753 1.00 0.00 H new ATOM 390 N PRO A 29 8.153 5.460 -4.564 1.00 0.00 N ATOM 391 CA PRO A 29 7.749 4.841 -5.830 1.00 0.00 C ATOM 392 C PRO A 29 8.091 3.356 -5.885 1.00 0.00 C ATOM 393 O PRO A 29 7.738 2.663 -6.839 1.00 0.00 O ATOM 394 CB PRO A 29 8.555 5.615 -6.876 1.00 0.00 C ATOM 395 CG PRO A 29 9.747 6.119 -6.139 1.00 0.00 C ATOM 396 CD PRO A 29 9.281 6.390 -4.735 1.00 0.00 C ATOM 0 HA PRO A 29 6.671 4.889 -5.981 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.846 4.972 -7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.973 6.435 -7.296 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.551 5.383 -6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.138 7.025 -6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.070 6.203 -4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.970 7.427 -4.608 1.00 0.00 H new ATOM 404 N SER A 30 8.779 2.874 -4.856 1.00 0.00 N ATOM 405 CA SER A 30 9.172 1.471 -4.789 1.00 0.00 C ATOM 406 C SER A 30 8.652 0.822 -3.509 1.00 0.00 C ATOM 407 O SER A 30 8.306 -0.360 -3.495 1.00 0.00 O ATOM 408 CB SER A 30 10.695 1.342 -4.857 1.00 0.00 C ATOM 409 OG SER A 30 11.198 1.883 -6.066 1.00 0.00 O ATOM 0 H SER A 30 9.076 3.434 -4.057 1.00 0.00 H new ATOM 0 HA SER A 30 8.732 0.955 -5.643 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.145 1.858 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.978 0.292 -4.779 1.00 0.00 H new ATOM 0 HG SER A 30 12.173 1.790 -6.085 1.00 0.00 H new ATOM 415 N CYS A 31 8.601 1.603 -2.436 1.00 0.00 N ATOM 416 CA CYS A 31 8.125 1.107 -1.150 1.00 0.00 C ATOM 417 C CYS A 31 6.687 0.608 -1.259 1.00 0.00 C ATOM 418 O CYS A 31 6.397 -0.550 -0.961 1.00 0.00 O ATOM 419 CB CYS A 31 8.217 2.206 -0.090 1.00 0.00 C ATOM 420 SG CYS A 31 9.908 2.520 0.511 1.00 0.00 S ATOM 0 H CYS A 31 8.884 2.583 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 31 8.759 0.272 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.813 3.130 -0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.587 1.933 0.756 1.00 0.00 H new ATOM 425 N ALA A 32 5.791 1.491 -1.687 1.00 0.00 N ATOM 426 CA ALA A 32 4.384 1.141 -1.837 1.00 0.00 C ATOM 427 C ALA A 32 4.184 0.152 -2.980 1.00 0.00 C ATOM 428 O ALA A 32 4.028 0.548 -4.137 1.00 0.00 O ATOM 429 CB ALA A 32 3.550 2.393 -2.067 1.00 0.00 C ATOM 0 H ALA A 32 6.015 2.454 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 32 4.053 0.663 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.501 2.117 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.660 3.065 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.890 2.895 -2.973 1.00 0.00 H new ATOM 435 N LEU A 33 4.189 -1.135 -2.651 1.00 0.00 N ATOM 436 CA LEU A 33 4.008 -2.181 -3.651 1.00 0.00 C ATOM 437 C LEU A 33 2.728 -2.969 -3.389 1.00 0.00 C ATOM 438 O LEU A 33 2.490 -3.433 -2.274 1.00 0.00 O ATOM 439 CB LEU A 33 5.211 -3.125 -3.653 1.00 0.00 C ATOM 440 CG LEU A 33 6.585 -2.461 -3.743 1.00 0.00 C ATOM 441 CD1 LEU A 33 7.689 -3.492 -3.566 1.00 0.00 C ATOM 442 CD2 LEU A 33 6.740 -1.733 -5.070 1.00 0.00 C ATOM 0 H LEU A 33 4.316 -1.479 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 33 3.926 -1.705 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.178 -3.725 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.106 -3.813 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 33 6.667 -1.730 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.660 -3.001 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.590 -3.968 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.610 -4.248 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.724 -1.266 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.637 -2.444 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.970 -0.966 -5.156 1.00 0.00 H new ATOM 454 N CYS A 34 1.909 -3.119 -4.425 1.00 0.00 N ATOM 455 CA CYS A 34 0.655 -3.853 -4.308 1.00 0.00 C ATOM 456 C CYS A 34 0.830 -5.095 -3.439 1.00 0.00 C ATOM 457 O CYS A 34 1.533 -6.034 -3.812 1.00 0.00 O ATOM 458 CB CYS A 34 0.144 -4.255 -5.693 1.00 0.00 C ATOM 459 SG CYS A 34 -1.267 -5.407 -5.660 1.00 0.00 S ATOM 0 H CYS A 34 2.092 -2.742 -5.355 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.076 -3.199 -3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.147 -3.356 -6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.961 -4.713 -6.251 1.00 0.00 H new ATOM 464 N VAL A 35 0.185 -5.093 -2.277 1.00 0.00 N ATOM 465 CA VAL A 35 0.267 -6.219 -1.354 1.00 0.00 C ATOM 466 C VAL A 35 -0.022 -7.535 -2.067 1.00 0.00 C ATOM 467 O VAL A 35 0.595 -8.560 -1.773 1.00 0.00 O ATOM 468 CB VAL A 35 -0.717 -6.056 -0.181 1.00 0.00 C ATOM 469 CG1 VAL A 35 -0.504 -4.720 0.514 1.00 0.00 C ATOM 470 CG2 VAL A 35 -2.152 -6.190 -0.667 1.00 0.00 C ATOM 0 H VAL A 35 -0.401 -4.324 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 35 1.285 -6.236 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.527 -6.849 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.209 -4.623 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.515 -4.668 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.665 -3.910 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.834 -6.072 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.358 -5.420 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.294 -7.174 -1.114 1.00 0.00 H new ATOM 480 N ARG A 36 -0.962 -7.500 -3.005 1.00 0.00 N ATOM 481 CA ARG A 36 -1.334 -8.691 -3.760 1.00 0.00 C ATOM 482 C ARG A 36 -0.146 -9.220 -4.559 1.00 0.00 C ATOM 483 O ARG A 36 0.435 -10.250 -4.220 1.00 0.00 O ATOM 484 CB ARG A 36 -2.499 -8.381 -4.701 1.00 0.00 C ATOM 485 CG ARG A 36 -3.186 -9.622 -5.249 1.00 0.00 C ATOM 486 CD ARG A 36 -4.622 -9.724 -4.761 1.00 0.00 C ATOM 487 NE ARG A 36 -5.027 -11.110 -4.537 1.00 0.00 N ATOM 488 CZ ARG A 36 -5.123 -12.013 -5.506 1.00 0.00 C ATOM 489 NH1 ARG A 36 -4.846 -11.678 -6.759 1.00 0.00 N ATOM 490 NH2 ARG A 36 -5.498 -13.254 -5.223 1.00 0.00 N ATOM 0 H ARG A 36 -1.480 -6.660 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.644 -9.459 -3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.233 -7.775 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.133 -7.781 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.172 -9.596 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.633 -10.510 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.731 -9.160 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.287 -9.266 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.248 -11.400 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.558 -10.725 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.921 -12.374 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.713 -13.515 -4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.572 -13.947 -5.968 1.00 0.00 H new ATOM 504 N CYS A 37 0.208 -8.507 -5.624 1.00 0.00 N ATOM 505 CA CYS A 37 1.324 -8.904 -6.473 1.00 0.00 C ATOM 506 C CYS A 37 2.611 -8.207 -6.041 1.00 0.00 C ATOM 507 O CYS A 37 3.652 -8.844 -5.883 1.00 0.00 O ATOM 508 CB CYS A 37 1.021 -8.576 -7.936 1.00 0.00 C ATOM 509 SG CYS A 37 0.753 -6.804 -8.261 1.00 0.00 S ATOM 0 H CYS A 37 -0.263 -7.651 -5.919 1.00 0.00 H new ATOM 0 HA CYS A 37 1.461 -9.980 -6.369 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.847 -8.927 -8.554 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.134 -9.129 -8.245 1.00 0.00 H new ATOM 514 N GLY A 38 2.531 -6.894 -5.850 1.00 0.00 N ATOM 515 CA GLY A 38 3.696 -6.132 -5.438 1.00 0.00 C ATOM 516 C GLY A 38 4.386 -5.451 -6.603 1.00 0.00 C ATOM 517 O GLY A 38 5.606 -5.289 -6.601 1.00 0.00 O ATOM 0 H GLY A 38 1.681 -6.344 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.395 -5.380 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.402 -6.796 -4.939 1.00 0.00 H new ATOM 521 N GLN A 39 3.604 -5.054 -7.602 1.00 0.00 N ATOM 522 CA GLN A 39 4.148 -4.390 -8.780 1.00 0.00 C ATOM 523 C GLN A 39 4.057 -2.874 -8.641 1.00 0.00 C ATOM 524 O GLN A 39 2.998 -2.333 -8.326 1.00 0.00 O ATOM 525 CB GLN A 39 3.405 -4.844 -10.037 1.00 0.00 C ATOM 526 CG GLN A 39 3.730 -6.269 -10.455 1.00 0.00 C ATOM 527 CD GLN A 39 4.593 -6.330 -11.700 1.00 0.00 C ATOM 528 OE1 GLN A 39 4.144 -5.997 -12.797 1.00 0.00 O ATOM 529 NE2 GLN A 39 5.839 -6.757 -11.537 1.00 0.00 N ATOM 0 H GLN A 39 2.592 -5.181 -7.619 1.00 0.00 H new ATOM 0 HA GLN A 39 5.199 -4.666 -8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.332 -4.761 -9.865 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.650 -4.169 -10.857 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.243 -6.775 -9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.802 -6.812 -10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.170 -7.023 -10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.466 -6.819 -12.339 1.00 0.00 H new ATOM 538 N MET A 40 5.174 -2.194 -8.878 1.00 0.00 N ATOM 539 CA MET A 40 5.220 -0.740 -8.780 1.00 0.00 C ATOM 540 C MET A 40 4.131 -0.103 -9.638 1.00 0.00 C ATOM 541 O MET A 40 3.457 -0.785 -10.410 1.00 0.00 O ATOM 542 CB MET A 40 6.593 -0.221 -9.210 1.00 0.00 C ATOM 543 CG MET A 40 7.654 -0.341 -8.129 1.00 0.00 C ATOM 544 SD MET A 40 9.148 -1.166 -8.711 1.00 0.00 S ATOM 545 CE MET A 40 10.096 -1.260 -7.194 1.00 0.00 C ATOM 0 H MET A 40 6.060 -2.627 -9.139 1.00 0.00 H new ATOM 0 HA MET A 40 5.046 -0.465 -7.740 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.921 -0.772 -10.092 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.501 0.825 -9.503 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.911 0.654 -7.766 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.245 -0.893 -7.283 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.528 -2.256 -7.096 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.895 -0.518 -7.217 1.00 0.00 H new ATOM 0 HE3 MET A 40 9.443 -1.063 -6.344 1.00 0.00 H new ATOM 555 N PHE A 41 3.964 1.207 -9.497 1.00 0.00 N ATOM 556 CA PHE A 41 2.955 1.936 -10.258 1.00 0.00 C ATOM 557 C PHE A 41 3.558 3.176 -10.911 1.00 0.00 C ATOM 558 O PHE A 41 4.754 3.437 -10.787 1.00 0.00 O ATOM 559 CB PHE A 41 1.792 2.339 -9.349 1.00 0.00 C ATOM 560 CG PHE A 41 1.402 1.272 -8.366 1.00 0.00 C ATOM 561 CD1 PHE A 41 2.248 0.928 -7.325 1.00 0.00 C ATOM 562 CD2 PHE A 41 0.189 0.613 -8.485 1.00 0.00 C ATOM 563 CE1 PHE A 41 1.892 -0.053 -6.419 1.00 0.00 C ATOM 564 CE2 PHE A 41 -0.173 -0.369 -7.582 1.00 0.00 C ATOM 565 CZ PHE A 41 0.680 -0.703 -6.548 1.00 0.00 C ATOM 0 H PHE A 41 4.514 1.786 -8.863 1.00 0.00 H new ATOM 0 HA PHE A 41 2.582 1.278 -11.043 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.064 3.243 -8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.928 2.587 -9.966 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.197 1.432 -7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.481 0.869 -9.292 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.561 -0.311 -5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.122 -0.875 -7.685 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.400 -1.471 -5.842 1.00 0.00 H new ATOM 575 N ALA A 42 2.720 3.936 -11.609 1.00 0.00 N ATOM 576 CA ALA A 42 3.169 5.150 -12.281 1.00 0.00 C ATOM 577 C ALA A 42 3.114 6.350 -11.341 1.00 0.00 C ATOM 578 O ALA A 42 3.000 6.193 -10.126 1.00 0.00 O ATOM 579 CB ALA A 42 2.326 5.408 -13.521 1.00 0.00 C ATOM 0 H ALA A 42 1.727 3.733 -11.724 1.00 0.00 H new ATOM 0 HA ALA A 42 4.206 5.007 -12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.672 6.317 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.420 4.566 -14.207 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.281 5.526 -13.233 1.00 0.00 H new ATOM 585 N GLU A 43 3.195 7.547 -11.913 1.00 0.00 N ATOM 586 CA GLU A 43 3.156 8.773 -11.125 1.00 0.00 C ATOM 587 C GLU A 43 1.770 9.409 -11.176 1.00 0.00 C ATOM 588 O GLU A 43 1.637 10.629 -11.253 1.00 0.00 O ATOM 589 CB GLU A 43 4.203 9.766 -11.634 1.00 0.00 C ATOM 590 CG GLU A 43 3.871 10.358 -12.994 1.00 0.00 C ATOM 591 CD GLU A 43 4.381 11.777 -13.154 1.00 0.00 C ATOM 592 OE1 GLU A 43 5.444 12.094 -12.581 1.00 0.00 O ATOM 593 OE2 GLU A 43 3.715 12.570 -13.852 1.00 0.00 O ATOM 0 H GLU A 43 3.288 7.694 -12.918 1.00 0.00 H new ATOM 0 HA GLU A 43 3.381 8.516 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.306 10.575 -10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.169 9.265 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.303 9.731 -13.774 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.790 10.346 -13.137 1.00 0.00 H new ATOM 600 N GLY A 44 0.739 8.570 -11.132 1.00 0.00 N ATOM 601 CA GLY A 44 -0.624 9.067 -11.175 1.00 0.00 C ATOM 602 C GLY A 44 -1.623 7.989 -11.546 1.00 0.00 C ATOM 603 O GLY A 44 -2.500 8.208 -12.381 1.00 0.00 O ATOM 0 H GLY A 44 0.823 7.556 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.887 9.482 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.688 9.881 -11.897 1.00 0.00 H new ATOM 607 N GLU A 45 -1.489 6.821 -10.924 1.00 0.00 N ATOM 608 CA GLU A 45 -2.386 5.705 -11.197 1.00 0.00 C ATOM 609 C GLU A 45 -3.556 5.695 -10.217 1.00 0.00 C ATOM 610 O GLU A 45 -3.433 6.160 -9.084 1.00 0.00 O ATOM 611 CB GLU A 45 -1.627 4.379 -11.114 1.00 0.00 C ATOM 612 CG GLU A 45 -0.831 4.054 -12.366 1.00 0.00 C ATOM 613 CD GLU A 45 -1.666 4.148 -13.629 1.00 0.00 C ATOM 614 OE1 GLU A 45 -2.630 3.366 -13.761 1.00 0.00 O ATOM 615 OE2 GLU A 45 -1.354 5.003 -14.484 1.00 0.00 O ATOM 0 H GLU A 45 -0.769 6.624 -10.229 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.780 5.828 -12.206 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.949 4.411 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.338 3.574 -10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.015 4.738 -12.442 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.421 3.048 -12.280 1.00 0.00 H new ATOM 622 N GLU A 46 -4.690 5.163 -10.662 1.00 0.00 N ATOM 623 CA GLU A 46 -5.882 5.095 -9.825 1.00 0.00 C ATOM 624 C GLU A 46 -6.182 3.654 -9.423 1.00 0.00 C ATOM 625 O GLU A 46 -6.417 2.797 -10.274 1.00 0.00 O ATOM 626 CB GLU A 46 -7.084 5.691 -10.561 1.00 0.00 C ATOM 627 CG GLU A 46 -6.967 7.186 -10.806 1.00 0.00 C ATOM 628 CD GLU A 46 -6.203 7.511 -12.075 1.00 0.00 C ATOM 629 OE1 GLU A 46 -4.961 7.383 -12.068 1.00 0.00 O ATOM 630 OE2 GLU A 46 -6.847 7.894 -13.074 1.00 0.00 O ATOM 0 H GLU A 46 -4.808 4.773 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.694 5.675 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.202 5.183 -11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.987 5.496 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.965 7.620 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.468 7.652 -9.956 1.00 0.00 H new ATOM 637 N MET A 47 -6.171 3.395 -8.119 1.00 0.00 N ATOM 638 CA MET A 47 -6.443 2.059 -7.603 1.00 0.00 C ATOM 639 C MET A 47 -7.272 2.128 -6.325 1.00 0.00 C ATOM 640 O MET A 47 -7.360 3.177 -5.686 1.00 0.00 O ATOM 641 CB MET A 47 -5.132 1.317 -7.334 1.00 0.00 C ATOM 642 CG MET A 47 -4.134 2.121 -6.517 1.00 0.00 C ATOM 643 SD MET A 47 -3.394 3.470 -7.456 1.00 0.00 S ATOM 644 CE MET A 47 -1.668 3.281 -7.017 1.00 0.00 C ATOM 0 H MET A 47 -5.977 4.093 -7.401 1.00 0.00 H new ATOM 0 HA MET A 47 -7.013 1.515 -8.356 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.352 0.387 -6.810 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.675 1.047 -8.286 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.634 2.527 -5.638 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.346 1.458 -6.158 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.043 3.590 -7.855 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.443 3.901 -6.149 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.465 2.237 -6.779 1.00 0.00 H new ATOM 654 N TYR A 48 -7.880 1.005 -5.958 1.00 0.00 N ATOM 655 CA TYR A 48 -8.705 0.939 -4.757 1.00 0.00 C ATOM 656 C TYR A 48 -7.839 0.931 -3.501 1.00 0.00 C ATOM 657 O TYR A 48 -6.717 0.423 -3.509 1.00 0.00 O ATOM 658 CB TYR A 48 -9.590 -0.308 -4.789 1.00 0.00 C ATOM 659 CG TYR A 48 -10.404 -0.441 -6.056 1.00 0.00 C ATOM 660 CD1 TYR A 48 -11.555 0.314 -6.248 1.00 0.00 C ATOM 661 CD2 TYR A 48 -10.022 -1.320 -7.062 1.00 0.00 C ATOM 662 CE1 TYR A 48 -12.303 0.195 -7.403 1.00 0.00 C ATOM 663 CE2 TYR A 48 -10.763 -1.444 -8.221 1.00 0.00 C ATOM 664 CZ TYR A 48 -11.903 -0.685 -8.387 1.00 0.00 C ATOM 665 OH TYR A 48 -12.644 -0.805 -9.540 1.00 0.00 O ATOM 0 H TYR A 48 -7.817 0.128 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.339 1.825 -4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.962 -1.192 -4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.266 -0.286 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.870 1.006 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.131 -1.916 -6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.196 0.788 -7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.452 -2.132 -8.993 1.00 0.00 H new ATOM 0 HH TYR A 48 -12.226 -1.466 -10.130 1.00 0.00 H new ATOM 675 N LEU A 49 -8.369 1.496 -2.422 1.00 0.00 N ATOM 676 CA LEU A 49 -7.646 1.554 -1.156 1.00 0.00 C ATOM 677 C LEU A 49 -8.484 0.967 -0.024 1.00 0.00 C ATOM 678 O LEU A 49 -9.712 1.043 -0.045 1.00 0.00 O ATOM 679 CB LEU A 49 -7.267 2.999 -0.828 1.00 0.00 C ATOM 680 CG LEU A 49 -6.016 3.539 -1.524 1.00 0.00 C ATOM 681 CD1 LEU A 49 -4.772 2.835 -1.006 1.00 0.00 C ATOM 682 CD2 LEU A 49 -6.134 3.377 -3.033 1.00 0.00 C ATOM 0 H LEU A 49 -9.296 1.920 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.737 0.961 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.108 3.642 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.123 3.080 0.249 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.927 4.602 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.892 3.232 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.680 3.002 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.851 1.766 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.236 3.766 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.247 2.321 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.004 3.928 -3.391 1.00 0.00 H new ATOM 694 N GLN A 50 -7.810 0.385 0.963 1.00 0.00 N ATOM 695 CA GLN A 50 -8.493 -0.213 2.104 1.00 0.00 C ATOM 696 C GLN A 50 -7.622 -0.148 3.354 1.00 0.00 C ATOM 697 O GLN A 50 -6.591 -0.814 3.441 1.00 0.00 O ATOM 698 CB GLN A 50 -8.862 -1.666 1.800 1.00 0.00 C ATOM 699 CG GLN A 50 -10.352 -1.885 1.592 1.00 0.00 C ATOM 700 CD GLN A 50 -11.032 -2.472 2.813 1.00 0.00 C ATOM 701 OE1 GLN A 50 -10.527 -2.365 3.931 1.00 0.00 O ATOM 702 NE2 GLN A 50 -12.184 -3.099 2.605 1.00 0.00 N ATOM 0 H GLN A 50 -6.793 0.315 0.995 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.405 0.355 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.328 -1.988 0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.521 -2.298 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.823 -0.935 1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.502 -2.551 0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.566 -3.164 1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.687 -3.516 3.389 1.00 0.00 H new ATOM 711 N GLY A 51 -8.044 0.660 4.322 1.00 0.00 N ATOM 712 CA GLY A 51 -7.291 0.797 5.555 1.00 0.00 C ATOM 713 C GLY A 51 -5.999 1.568 5.363 1.00 0.00 C ATOM 714 O GLY A 51 -5.878 2.710 5.805 1.00 0.00 O ATOM 0 H GLY A 51 -8.894 1.222 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.906 1.304 6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.064 -0.193 5.951 1.00 0.00 H new ATOM 718 N SER A 52 -5.031 0.941 4.701 1.00 0.00 N ATOM 719 CA SER A 52 -3.740 1.573 4.456 1.00 0.00 C ATOM 720 C SER A 52 -2.895 0.731 3.505 1.00 0.00 C ATOM 721 O SER A 52 -1.666 0.781 3.540 1.00 0.00 O ATOM 722 CB SER A 52 -2.992 1.781 5.774 1.00 0.00 C ATOM 723 OG SER A 52 -2.703 3.152 5.987 1.00 0.00 O ATOM 0 H SER A 52 -5.117 -0.003 4.325 1.00 0.00 H new ATOM 0 HA SER A 52 -3.920 2.543 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.592 1.400 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.065 1.208 5.764 1.00 0.00 H new ATOM 0 HG SER A 52 -2.226 3.258 6.837 1.00 0.00 H new ATOM 729 N SER A 53 -3.564 -0.043 2.657 1.00 0.00 N ATOM 730 CA SER A 53 -2.876 -0.900 1.698 1.00 0.00 C ATOM 731 C SER A 53 -3.292 -0.560 0.270 1.00 0.00 C ATOM 732 O SER A 53 -4.421 -0.135 0.025 1.00 0.00 O ATOM 733 CB SER A 53 -3.174 -2.371 1.992 1.00 0.00 C ATOM 734 OG SER A 53 -3.138 -2.631 3.384 1.00 0.00 O ATOM 0 H SER A 53 -4.582 -0.095 2.614 1.00 0.00 H new ATOM 0 HA SER A 53 -1.804 -0.727 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.155 -2.633 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.446 -3.002 1.482 1.00 0.00 H new ATOM 0 HG SER A 53 -3.333 -3.578 3.545 1.00 0.00 H new ATOM 740 N ILE A 54 -2.371 -0.751 -0.669 1.00 0.00 N ATOM 741 CA ILE A 54 -2.641 -0.467 -2.073 1.00 0.00 C ATOM 742 C ILE A 54 -3.111 -1.718 -2.806 1.00 0.00 C ATOM 743 O ILE A 54 -2.361 -2.684 -2.951 1.00 0.00 O ATOM 744 CB ILE A 54 -1.395 0.094 -2.783 1.00 0.00 C ATOM 745 CG1 ILE A 54 -0.907 1.362 -2.080 1.00 0.00 C ATOM 746 CG2 ILE A 54 -1.702 0.378 -4.246 1.00 0.00 C ATOM 747 CD1 ILE A 54 0.530 1.714 -2.398 1.00 0.00 C ATOM 0 H ILE A 54 -1.431 -1.101 -0.483 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.431 0.283 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.602 -0.652 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.549 2.196 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.011 1.234 -1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.812 0.774 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.007 -0.545 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.508 1.109 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.808 2.623 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.182 0.898 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.636 1.875 -3.471 1.00 0.00 H new ATOM 759 N TRP A 55 -4.356 -1.693 -3.269 1.00 0.00 N ATOM 760 CA TRP A 55 -4.926 -2.825 -3.990 1.00 0.00 C ATOM 761 C TRP A 55 -5.164 -2.473 -5.454 1.00 0.00 C ATOM 762 O TRP A 55 -5.946 -1.574 -5.768 1.00 0.00 O ATOM 763 CB TRP A 55 -6.238 -3.263 -3.338 1.00 0.00 C ATOM 764 CG TRP A 55 -6.080 -3.677 -1.906 1.00 0.00 C ATOM 765 CD1 TRP A 55 -6.289 -2.902 -0.801 1.00 0.00 C ATOM 766 CD2 TRP A 55 -5.679 -4.965 -1.425 1.00 0.00 C ATOM 767 NE1 TRP A 55 -6.041 -3.630 0.337 1.00 0.00 N ATOM 768 CE2 TRP A 55 -5.666 -4.899 -0.018 1.00 0.00 C ATOM 769 CE3 TRP A 55 -5.331 -6.167 -2.046 1.00 0.00 C ATOM 770 CZ2 TRP A 55 -5.318 -5.989 0.775 1.00 0.00 C ATOM 771 CZ3 TRP A 55 -4.985 -7.248 -1.258 1.00 0.00 C ATOM 772 CH2 TRP A 55 -4.982 -7.154 0.140 1.00 0.00 C ATOM 0 H TRP A 55 -4.990 -0.901 -3.158 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.214 -3.649 -3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.955 -2.444 -3.395 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.658 -4.094 -3.905 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.603 -1.869 -0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.123 -3.282 1.292 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.332 -6.250 -3.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.313 -5.918 1.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.712 -8.181 -1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.709 -8.018 0.728 1.00 0.00 H new ATOM 783 N HIS A 56 -4.487 -3.187 -6.348 1.00 0.00 N ATOM 784 CA HIS A 56 -4.627 -2.950 -7.781 1.00 0.00 C ATOM 785 C HIS A 56 -6.087 -3.064 -8.210 1.00 0.00 C ATOM 786 O HIS A 56 -6.930 -3.601 -7.492 1.00 0.00 O ATOM 787 CB HIS A 56 -3.773 -3.943 -8.569 1.00 0.00 C ATOM 788 CG HIS A 56 -2.423 -3.410 -8.939 1.00 0.00 C ATOM 789 ND1 HIS A 56 -1.258 -4.127 -8.769 1.00 0.00 N ATOM 790 CD2 HIS A 56 -2.057 -2.222 -9.475 1.00 0.00 C ATOM 791 CE1 HIS A 56 -0.233 -3.403 -9.183 1.00 0.00 C ATOM 792 NE2 HIS A 56 -0.691 -2.242 -9.617 1.00 0.00 N ATOM 0 H HIS A 56 -3.836 -3.934 -6.106 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.282 -1.938 -7.993 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.647 -4.850 -7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.304 -4.226 -9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.717 -1.409 -9.741 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.803 -3.708 -9.169 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.123 -1.484 -9.996 1.00 0.00 H new ATOM 800 N PRO A 57 -6.394 -2.546 -9.409 1.00 0.00 N ATOM 801 CA PRO A 57 -7.751 -2.577 -9.961 1.00 0.00 C ATOM 802 C PRO A 57 -8.187 -3.986 -10.348 1.00 0.00 C ATOM 803 O PRO A 57 -9.361 -4.337 -10.232 1.00 0.00 O ATOM 804 CB PRO A 57 -7.650 -1.688 -11.202 1.00 0.00 C ATOM 805 CG PRO A 57 -6.215 -1.752 -11.598 1.00 0.00 C ATOM 806 CD PRO A 57 -5.438 -1.891 -10.318 1.00 0.00 C ATOM 0 HA PRO A 57 -8.493 -2.239 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.298 -2.049 -12.001 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.955 -0.665 -10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.030 -2.598 -12.260 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.919 -0.853 -12.139 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.539 -2.492 -10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.118 -0.922 -9.935 1.00 0.00 H new ATOM 814 N ALA A 58 -7.234 -4.789 -10.810 1.00 0.00 N ATOM 815 CA ALA A 58 -7.520 -6.161 -11.213 1.00 0.00 C ATOM 816 C ALA A 58 -7.295 -7.130 -10.057 1.00 0.00 C ATOM 817 O ALA A 58 -8.057 -8.079 -9.872 1.00 0.00 O ATOM 818 CB ALA A 58 -6.661 -6.550 -12.406 1.00 0.00 C ATOM 0 H ALA A 58 -6.258 -4.513 -10.915 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.570 -6.218 -11.502 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.885 -7.577 -12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.874 -5.882 -13.241 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.608 -6.470 -12.137 1.00 0.00 H new ATOM 824 N CYS A 59 -6.242 -6.886 -9.283 1.00 0.00 N ATOM 825 CA CYS A 59 -5.915 -7.738 -8.146 1.00 0.00 C ATOM 826 C CYS A 59 -7.049 -7.743 -7.126 1.00 0.00 C ATOM 827 O CYS A 59 -7.664 -8.779 -6.871 1.00 0.00 O ATOM 828 CB CYS A 59 -4.620 -7.264 -7.484 1.00 0.00 C ATOM 829 SG CYS A 59 -3.164 -7.311 -8.578 1.00 0.00 S ATOM 0 H CYS A 59 -5.601 -6.105 -9.423 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.777 -8.755 -8.513 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.760 -6.244 -7.127 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.424 -7.884 -6.609 1.00 0.00 H new ATOM 834 N ARG A 60 -7.321 -6.579 -6.546 1.00 0.00 N ATOM 835 CA ARG A 60 -8.380 -6.449 -5.552 1.00 0.00 C ATOM 836 C ARG A 60 -9.575 -7.326 -5.914 1.00 0.00 C ATOM 837 O ARG A 60 -10.044 -8.119 -5.099 1.00 0.00 O ATOM 838 CB ARG A 60 -8.822 -4.989 -5.435 1.00 0.00 C ATOM 839 CG ARG A 60 -9.466 -4.653 -4.100 1.00 0.00 C ATOM 840 CD ARG A 60 -10.919 -5.098 -4.055 1.00 0.00 C ATOM 841 NE ARG A 60 -11.593 -4.647 -2.840 1.00 0.00 N ATOM 842 CZ ARG A 60 -11.496 -5.271 -1.671 1.00 0.00 C ATOM 843 NH1 ARG A 60 -10.757 -6.366 -1.560 1.00 0.00 N ATOM 844 NH2 ARG A 60 -12.139 -4.799 -0.611 1.00 0.00 N ATOM 0 H ARG A 60 -6.823 -5.712 -6.747 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.986 -6.780 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.957 -4.343 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.528 -4.767 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.911 -5.136 -3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.408 -3.578 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.444 -4.708 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.967 -6.185 -4.114 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.170 -3.807 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.261 -6.731 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.684 -6.843 -0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.708 -3.957 -0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.064 -5.278 0.286 1.00 0.00 H new ATOM 858 N GLN A 61 -10.063 -7.176 -7.142 1.00 0.00 N ATOM 859 CA GLN A 61 -11.203 -7.953 -7.610 1.00 0.00 C ATOM 860 C GLN A 61 -11.109 -9.400 -7.136 1.00 0.00 C ATOM 861 O GLN A 61 -12.081 -9.964 -6.635 1.00 0.00 O ATOM 862 CB GLN A 61 -11.285 -7.910 -9.137 1.00 0.00 C ATOM 863 CG GLN A 61 -11.529 -6.517 -9.694 1.00 0.00 C ATOM 864 CD GLN A 61 -12.900 -6.373 -10.327 1.00 0.00 C ATOM 865 OE1 GLN A 61 -13.902 -6.205 -9.632 1.00 0.00 O ATOM 866 NE2 GLN A 61 -12.950 -6.439 -11.652 1.00 0.00 N ATOM 0 H GLN A 61 -9.686 -6.524 -7.830 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.107 -7.510 -7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.357 -8.301 -9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.086 -8.570 -9.468 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.425 -5.786 -8.892 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.764 -6.288 -10.436 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.094 -6.579 -12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -13.845 -6.349 -12.134 1.00 0.00 H new ATOM 875 N ALA A 62 -9.931 -9.994 -7.297 1.00 0.00 N ATOM 876 CA ALA A 62 -9.709 -11.374 -6.883 1.00 0.00 C ATOM 877 C ALA A 62 -9.694 -11.496 -5.363 1.00 0.00 C ATOM 878 O ALA A 62 -10.310 -12.398 -4.797 1.00 0.00 O ATOM 879 CB ALA A 62 -8.406 -11.898 -7.469 1.00 0.00 C ATOM 0 H ALA A 62 -9.116 -9.541 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.534 -11.978 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.253 -12.929 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.454 -11.856 -8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.576 -11.284 -7.119 1.00 0.00 H new ATOM 885 N ALA A 63 -8.984 -10.582 -4.708 1.00 0.00 N ATOM 886 CA ALA A 63 -8.890 -10.587 -3.254 1.00 0.00 C ATOM 887 C ALA A 63 -10.066 -9.848 -2.625 1.00 0.00 C ATOM 888 O ALA A 63 -9.898 -9.097 -1.664 1.00 0.00 O ATOM 889 CB ALA A 63 -7.575 -9.966 -2.808 1.00 0.00 C ATOM 0 H ALA A 63 -8.466 -9.829 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.923 -11.623 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.518 -9.976 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.744 -10.539 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.519 -8.937 -3.164 1.00 0.00 H new ATOM 895 N ARG A 64 -11.257 -10.066 -3.173 1.00 0.00 N ATOM 896 CA ARG A 64 -12.461 -9.418 -2.666 1.00 0.00 C ATOM 897 C ARG A 64 -12.992 -10.145 -1.434 1.00 0.00 C ATOM 898 O ARG A 64 -13.221 -9.534 -0.390 1.00 0.00 O ATOM 899 CB ARG A 64 -13.539 -9.378 -3.751 1.00 0.00 C ATOM 900 CG ARG A 64 -13.910 -7.970 -4.189 1.00 0.00 C ATOM 901 CD ARG A 64 -15.407 -7.729 -4.081 1.00 0.00 C ATOM 902 NE ARG A 64 -15.929 -6.997 -5.232 1.00 0.00 N ATOM 903 CZ ARG A 64 -17.202 -7.032 -5.609 1.00 0.00 C ATOM 904 NH1 ARG A 64 -18.079 -7.758 -4.930 1.00 0.00 N ATOM 905 NH2 ARG A 64 -17.600 -6.338 -6.668 1.00 0.00 N ATOM 0 H ARG A 64 -11.414 -10.686 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.202 -8.398 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.191 -9.939 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.432 -9.882 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.378 -7.244 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.588 -7.811 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.923 -8.685 -3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.619 -7.170 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.280 -6.428 -5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -17.777 -8.292 -4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.056 -7.783 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.928 -5.778 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.578 -6.365 -6.957 1.00 0.00 H new ATOM 919 N THR A 65 -13.186 -11.454 -1.563 1.00 0.00 N ATOM 920 CA THR A 65 -13.691 -12.264 -0.462 1.00 0.00 C ATOM 921 C THR A 65 -13.326 -13.733 -0.647 1.00 0.00 C ATOM 922 O THR A 65 -14.145 -14.533 -1.097 1.00 0.00 O ATOM 923 CB THR A 65 -15.221 -12.140 -0.329 1.00 0.00 C ATOM 924 OG1 THR A 65 -15.710 -13.101 0.614 1.00 0.00 O ATOM 925 CG2 THR A 65 -15.900 -12.351 -1.674 1.00 0.00 C ATOM 0 H THR A 65 -13.001 -11.976 -2.420 1.00 0.00 H new ATOM 0 HA THR A 65 -13.223 -11.888 0.448 1.00 0.00 H new ATOM 0 HB THR A 65 -15.453 -11.135 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 65 -16.683 -13.015 0.694 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.980 -12.259 -1.555 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.547 -11.600 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.660 -13.345 -2.051 1.00 0.00 H new ATOM 933 N GLU A 66 -12.091 -14.079 -0.296 1.00 0.00 N ATOM 934 CA GLU A 66 -11.619 -15.453 -0.424 1.00 0.00 C ATOM 935 C GLU A 66 -11.426 -16.092 0.948 1.00 0.00 C ATOM 936 O GLU A 66 -11.326 -15.397 1.959 1.00 0.00 O ATOM 937 CB GLU A 66 -10.305 -15.492 -1.207 1.00 0.00 C ATOM 938 CG GLU A 66 -10.442 -15.037 -2.650 1.00 0.00 C ATOM 939 CD GLU A 66 -9.427 -15.692 -3.567 1.00 0.00 C ATOM 940 OE1 GLU A 66 -8.214 -15.504 -3.338 1.00 0.00 O ATOM 941 OE2 GLU A 66 -9.846 -16.390 -4.513 1.00 0.00 O ATOM 0 H GLU A 66 -11.401 -13.428 0.078 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.374 -16.021 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.573 -14.860 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.913 -16.509 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.447 -15.265 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.325 -13.954 -2.698 1.00 0.00 H new ATOM 948 N ASP A 67 -11.375 -17.419 0.974 1.00 0.00 N ATOM 949 CA ASP A 67 -11.194 -18.153 2.221 1.00 0.00 C ATOM 950 C ASP A 67 -10.275 -19.354 2.016 1.00 0.00 C ATOM 951 O ASP A 67 -10.530 -20.439 2.538 1.00 0.00 O ATOM 952 CB ASP A 67 -12.546 -18.617 2.766 1.00 0.00 C ATOM 953 CG ASP A 67 -12.574 -18.662 4.281 1.00 0.00 C ATOM 954 OD1 ASP A 67 -12.223 -17.644 4.911 1.00 0.00 O ATOM 955 OD2 ASP A 67 -12.947 -19.718 4.836 1.00 0.00 O ATOM 0 H ASP A 67 -11.456 -18.009 0.146 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.730 -17.482 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.328 -17.946 2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.773 -19.607 2.372 1.00 0.00 H new ATOM 960 N SER A 68 -9.207 -19.151 1.251 1.00 0.00 N ATOM 961 CA SER A 68 -8.253 -20.218 0.973 1.00 0.00 C ATOM 962 C SER A 68 -6.827 -19.764 1.272 1.00 0.00 C ATOM 963 O SER A 68 -6.126 -20.373 2.079 1.00 0.00 O ATOM 964 CB SER A 68 -8.363 -20.663 -0.487 1.00 0.00 C ATOM 965 OG SER A 68 -8.783 -22.013 -0.579 1.00 0.00 O ATOM 0 H SER A 68 -8.981 -18.258 0.813 1.00 0.00 H new ATOM 0 HA SER A 68 -8.491 -21.061 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.071 -20.022 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.398 -20.545 -0.980 1.00 0.00 H new ATOM 0 HG SER A 68 -8.847 -22.272 -1.522 1.00 0.00 H new ATOM 971 N GLY A 69 -6.405 -18.688 0.613 1.00 0.00 N ATOM 972 CA GLY A 69 -5.066 -18.170 0.821 1.00 0.00 C ATOM 973 C GLY A 69 -4.996 -17.190 1.975 1.00 0.00 C ATOM 974 O GLY A 69 -5.510 -16.074 1.902 1.00 0.00 O ATOM 0 H GLY A 69 -6.967 -18.167 -0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.384 -18.999 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.724 -17.679 -0.090 1.00 0.00 H new ATOM 978 N PRO A 70 -4.348 -17.607 3.072 1.00 0.00 N ATOM 979 CA PRO A 70 -4.198 -16.773 4.269 1.00 0.00 C ATOM 980 C PRO A 70 -3.256 -15.596 4.041 1.00 0.00 C ATOM 981 O PRO A 70 -2.160 -15.761 3.506 1.00 0.00 O ATOM 982 CB PRO A 70 -3.609 -17.737 5.302 1.00 0.00 C ATOM 983 CG PRO A 70 -2.911 -18.777 4.495 1.00 0.00 C ATOM 984 CD PRO A 70 -3.710 -18.925 3.230 1.00 0.00 C ATOM 0 HA PRO A 70 -5.144 -16.325 4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.918 -17.226 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.389 -18.176 5.924 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.886 -18.478 4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.859 -19.722 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.074 -19.168 2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.449 -19.722 3.313 1.00 0.00 H new ATOM 992 N SER A 71 -3.690 -14.409 4.451 1.00 0.00 N ATOM 993 CA SER A 71 -2.887 -13.203 4.288 1.00 0.00 C ATOM 994 C SER A 71 -3.272 -12.149 5.322 1.00 0.00 C ATOM 995 O SER A 71 -4.067 -11.252 5.044 1.00 0.00 O ATOM 996 CB SER A 71 -3.059 -12.636 2.877 1.00 0.00 C ATOM 997 OG SER A 71 -1.874 -11.998 2.436 1.00 0.00 O ATOM 0 H SER A 71 -4.594 -14.256 4.899 1.00 0.00 H new ATOM 0 HA SER A 71 -1.841 -13.470 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.321 -13.439 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.885 -11.924 2.866 1.00 0.00 H new ATOM 0 HG SER A 71 -2.009 -11.646 1.532 1.00 0.00 H new ATOM 1003 N SER A 72 -2.702 -12.266 6.517 1.00 0.00 N ATOM 1004 CA SER A 72 -2.988 -11.327 7.596 1.00 0.00 C ATOM 1005 C SER A 72 -1.711 -10.953 8.343 1.00 0.00 C ATOM 1006 O SER A 72 -1.114 -11.782 9.028 1.00 0.00 O ATOM 1007 CB SER A 72 -4.004 -11.929 8.569 1.00 0.00 C ATOM 1008 OG SER A 72 -5.307 -11.433 8.316 1.00 0.00 O ATOM 0 H SER A 72 -2.039 -13.002 6.763 1.00 0.00 H new ATOM 0 HA SER A 72 -3.409 -10.423 7.156 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.001 -13.015 8.478 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.715 -11.694 9.593 1.00 0.00 H new ATOM 0 HG SER A 72 -5.938 -11.834 8.949 1.00 0.00 H new ATOM 1014 N GLY A 73 -1.299 -9.697 8.204 1.00 0.00 N ATOM 1015 CA GLY A 73 -0.096 -9.233 8.871 1.00 0.00 C ATOM 1016 C GLY A 73 0.493 -8.001 8.214 1.00 0.00 C ATOM 1017 O GLY A 73 0.176 -7.730 7.056 1.00 0.00 O ATOM 0 H GLY A 73 -1.776 -8.992 7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.325 -9.011 9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.646 -10.031 8.871 1.00 0.00 H new TER 1021 GLY A 73 HETATM 1022 ZN ZN A 201 10.118 4.632 1.453 1.00 0.00 ZN HETATM 1023 ZN ZN A 401 -1.381 -6.077 -7.896 1.00 0.00 ZN