USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 271 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 Single : A 1 SER N :NH3+ -178:sc= 0.148 (180deg=0.119) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -1.75 K(o=-1.7,f=-0.75) USER MOD Single : A 17 SER OG : rot -149:sc= -0.501 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -3.36 K(o=-3.4,f=-7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 175:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.598 -0.722 -1.750 1.00 34.12 N ATOM 2 CA SER A 1 -5.015 -1.369 -2.919 1.00 43.01 C ATOM 3 C SER A 1 -3.661 -0.753 -3.262 1.00 35.33 C ATOM 4 O SER A 1 -3.326 -0.576 -4.433 1.00 44.40 O ATOM 5 CB SER A 1 -5.959 -1.252 -4.117 1.00 61.32 C ATOM 6 OG SER A 1 -7.251 -1.737 -3.797 1.00 54.10 O ATOM 0 H1 SER A 1 -6.502 -1.179 -1.515 1.00 34.12 H new ATOM 0 H2 SER A 1 -4.946 -0.808 -0.944 1.00 34.12 H new ATOM 0 H3 SER A 1 -5.762 0.284 -1.956 1.00 34.12 H new ATOM 0 HA SER A 1 -4.867 -2.423 -2.684 1.00 43.01 H new ATOM 0 HB2 SER A 1 -6.026 -0.210 -4.431 1.00 61.32 H new ATOM 0 HB3 SER A 1 -5.554 -1.814 -4.959 1.00 61.32 H new ATOM 0 HG SER A 1 -7.836 -1.650 -4.578 1.00 54.10 H new ATOM 12 N CYS A 2 -2.888 -0.429 -2.231 1.00 20.51 N ATOM 13 CA CYS A 2 -1.571 0.167 -2.420 1.00 31.10 C ATOM 14 C CYS A 2 -1.676 1.486 -3.180 1.00 5.24 C ATOM 15 O CYS A 2 -0.787 1.842 -3.954 1.00 42.23 O ATOM 16 CB CYS A 2 -0.655 -0.798 -3.175 1.00 41.02 C ATOM 17 SG CYS A 2 -0.039 -2.183 -2.165 1.00 31.02 S ATOM 0 H CYS A 2 -3.151 -0.569 -1.256 1.00 20.51 H new ATOM 0 HA CYS A 2 -1.145 0.367 -1.437 1.00 31.10 H new ATOM 0 HB2 CYS A 2 -1.196 -1.200 -4.032 1.00 41.02 H new ATOM 0 HB3 CYS A 2 0.196 -0.242 -3.567 1.00 41.02 H new ATOM 22 N THR A 3 -2.768 2.209 -2.952 1.00 60.02 N ATOM 23 CA THR A 3 -2.990 3.488 -3.615 1.00 21.03 C ATOM 24 C THR A 3 -1.780 4.403 -3.464 1.00 22.33 C ATOM 25 O THR A 3 -1.166 4.467 -2.398 1.00 72.21 O ATOM 26 CB THR A 3 -4.233 4.203 -3.053 1.00 51.30 C ATOM 27 OG1 THR A 3 -5.407 3.426 -3.317 1.00 44.33 O ATOM 28 CG2 THR A 3 -4.385 5.586 -3.668 1.00 15.42 C ATOM 0 H THR A 3 -3.513 1.930 -2.313 1.00 60.02 H new ATOM 0 HA THR A 3 -3.150 3.273 -4.672 1.00 21.03 H new ATOM 0 HB THR A 3 -4.106 4.313 -1.976 1.00 51.30 H new ATOM 0 HG1 THR A 3 -6.192 3.887 -2.955 1.00 44.33 H new ATOM 0 HG21 THR A 3 -5.269 6.072 -3.256 1.00 15.42 H new ATOM 0 HG22 THR A 3 -3.503 6.184 -3.440 1.00 15.42 H new ATOM 0 HG23 THR A 3 -4.492 5.494 -4.749 1.00 15.42 H new ATOM 36 N CYS A 4 -1.441 5.110 -4.536 1.00 52.04 N ATOM 37 CA CYS A 4 -0.304 6.022 -4.524 1.00 11.32 C ATOM 38 C CYS A 4 -0.722 7.406 -4.033 1.00 61.52 C ATOM 39 O CYS A 4 -0.399 8.419 -4.653 1.00 61.01 O ATOM 40 CB CYS A 4 0.307 6.128 -5.922 1.00 50.25 C ATOM 41 SG CYS A 4 2.125 6.238 -5.933 1.00 63.40 S ATOM 0 H CYS A 4 -1.938 5.069 -5.426 1.00 52.04 H new ATOM 0 HA CYS A 4 0.443 5.622 -3.838 1.00 11.32 H new ATOM 0 HB2 CYS A 4 0.003 5.260 -6.506 1.00 50.25 H new ATOM 0 HB3 CYS A 4 -0.102 7.007 -6.420 1.00 50.25 H new ATOM 46 N ARG A 5 -1.441 7.439 -2.916 1.00 75.34 N ATOM 47 CA ARG A 5 -1.904 8.697 -2.343 1.00 33.42 C ATOM 48 C ARG A 5 -1.062 9.084 -1.131 1.00 41.20 C ATOM 49 O ARG A 5 -0.296 8.273 -0.610 1.00 43.33 O ATOM 50 CB ARG A 5 -3.376 8.587 -1.940 1.00 51.22 C ATOM 51 CG ARG A 5 -3.600 7.807 -0.655 1.00 4.31 C ATOM 52 CD ARG A 5 -5.001 7.220 -0.596 1.00 70.02 C ATOM 53 NE ARG A 5 -6.023 8.208 -0.933 1.00 21.43 N ATOM 54 CZ ARG A 5 -6.446 9.143 -0.090 1.00 54.22 C ATOM 55 NH1 ARG A 5 -5.938 9.218 1.132 1.00 13.41 N ATOM 56 NH2 ARG A 5 -7.380 10.007 -0.470 1.00 63.51 N ATOM 0 H ARG A 5 -1.715 6.609 -2.390 1.00 75.34 H new ATOM 0 HA ARG A 5 -1.799 9.473 -3.101 1.00 33.42 H new ATOM 0 HB2 ARG A 5 -3.787 9.590 -1.823 1.00 51.22 H new ATOM 0 HB3 ARG A 5 -3.930 8.108 -2.747 1.00 51.22 H new ATOM 0 HG2 ARG A 5 -2.865 7.005 -0.582 1.00 4.31 H new ATOM 0 HG3 ARG A 5 -3.443 8.462 0.202 1.00 4.31 H new ATOM 0 HD2 ARG A 5 -5.070 6.378 -1.284 1.00 70.02 H new ATOM 0 HD3 ARG A 5 -5.189 6.831 0.405 1.00 70.02 H new ATOM 0 HE ARG A 5 -6.434 8.178 -1.866 1.00 21.43 H new ATOM 0 HH11 ARG A 5 -5.220 8.556 1.427 1.00 13.41 H new ATOM 0 HH12 ARG A 5 -6.265 9.937 1.777 1.00 13.41 H new ATOM 0 HH21 ARG A 5 -7.773 9.953 -1.410 1.00 63.51 H new ATOM 0 HH22 ARG A 5 -7.705 10.725 0.178 1.00 63.51 H new ATOM 70 N ARG A 6 -1.209 10.328 -0.688 1.00 50.50 N ATOM 71 CA ARG A 6 -0.461 10.824 0.461 1.00 63.01 C ATOM 72 C ARG A 6 -1.390 11.502 1.463 1.00 2.53 C ATOM 73 O ARG A 6 -1.712 12.682 1.326 1.00 40.20 O ATOM 74 CB ARG A 6 0.621 11.805 0.007 1.00 43.41 C ATOM 75 CG ARG A 6 0.573 12.120 -1.479 1.00 43.33 C ATOM 76 CD ARG A 6 1.727 13.019 -1.896 1.00 0.11 C ATOM 77 NE ARG A 6 1.905 14.142 -0.979 1.00 73.12 N ATOM 78 CZ ARG A 6 1.118 15.213 -0.967 1.00 65.44 C ATOM 79 NH1 ARG A 6 0.106 15.305 -1.818 1.00 72.11 N ATOM 80 NH2 ARG A 6 1.344 16.193 -0.103 1.00 3.52 N ATOM 0 H ARG A 6 -1.840 11.011 -1.107 1.00 50.50 H new ATOM 0 HA ARG A 6 0.012 9.972 0.950 1.00 63.01 H new ATOM 0 HB2 ARG A 6 0.518 12.733 0.570 1.00 43.41 H new ATOM 0 HB3 ARG A 6 1.600 11.392 0.251 1.00 43.41 H new ATOM 0 HG2 ARG A 6 0.609 11.192 -2.050 1.00 43.33 H new ATOM 0 HG3 ARG A 6 -0.373 12.606 -1.719 1.00 43.33 H new ATOM 0 HD2 ARG A 6 2.646 12.434 -1.936 1.00 0.11 H new ATOM 0 HD3 ARG A 6 1.546 13.398 -2.902 1.00 0.11 H new ATOM 0 HE ARG A 6 2.675 14.102 -0.312 1.00 73.12 H new ATOM 0 HH11 ARG A 6 -0.070 14.553 -2.484 1.00 72.11 H new ATOM 0 HH12 ARG A 6 -0.497 16.128 -1.807 1.00 72.11 H new ATOM 0 HH21 ARG A 6 2.122 16.125 0.553 1.00 3.52 H new ATOM 0 HH22 ARG A 6 0.740 17.015 -0.094 1.00 3.52 H new ATOM 94 N ALA A 7 -1.817 10.748 2.471 1.00 50.33 N ATOM 95 CA ALA A 7 -2.707 11.277 3.497 1.00 75.24 C ATOM 96 C ALA A 7 -2.602 10.468 4.785 1.00 2.10 C ATOM 97 O ALA A 7 -2.083 9.352 4.787 1.00 30.32 O ATOM 98 CB ALA A 7 -4.144 11.288 2.994 1.00 24.33 C ATOM 0 H ALA A 7 -1.561 9.769 2.599 1.00 50.33 H new ATOM 0 HA ALA A 7 -2.402 12.300 3.716 1.00 75.24 H new ATOM 0 HB1 ALA A 7 -4.798 11.685 3.770 1.00 24.33 H new ATOM 0 HB2 ALA A 7 -4.213 11.915 2.105 1.00 24.33 H new ATOM 0 HB3 ALA A 7 -4.451 10.272 2.746 1.00 24.33 H new ATOM 104 N TRP A 8 -3.096 11.039 5.878 1.00 64.51 N ATOM 105 CA TRP A 8 -3.056 10.370 7.174 1.00 65.15 C ATOM 106 C TRP A 8 -4.100 9.262 7.247 1.00 73.22 C ATOM 107 O TRP A 8 -3.989 8.344 8.061 1.00 40.44 O ATOM 108 CB TRP A 8 -3.285 11.380 8.299 1.00 34.20 C ATOM 109 CG TRP A 8 -2.035 11.728 9.049 1.00 34.12 C ATOM 110 CD1 TRP A 8 -1.342 12.903 8.986 1.00 61.30 C ATOM 111 CD2 TRP A 8 -1.330 10.893 9.974 1.00 72.43 C ATOM 112 NE1 TRP A 8 -0.248 12.848 9.816 1.00 61.04 N ATOM 113 CE2 TRP A 8 -0.219 11.626 10.433 1.00 23.25 C ATOM 114 CE3 TRP A 8 -1.530 9.598 10.460 1.00 73.35 C ATOM 115 CZ2 TRP A 8 0.687 11.105 11.353 1.00 3.04 C ATOM 116 CZ3 TRP A 8 -0.630 9.082 11.372 1.00 0.13 C ATOM 117 CH2 TRP A 8 0.467 9.835 11.812 1.00 21.32 C ATOM 0 H TRP A 8 -3.529 11.963 5.893 1.00 64.51 H new ATOM 0 HA TRP A 8 -2.070 9.922 7.294 1.00 65.15 H new ATOM 0 HB2 TRP A 8 -3.713 12.290 7.879 1.00 34.20 H new ATOM 0 HB3 TRP A 8 -4.018 10.976 8.997 1.00 34.20 H new ATOM 0 HD1 TRP A 8 -1.614 13.751 8.374 1.00 61.30 H new ATOM 0 HE1 TRP A 8 0.432 13.596 9.951 1.00 61.04 H new ATOM 0 HE3 TRP A 8 -2.374 9.011 10.128 1.00 73.35 H new ATOM 0 HZ2 TRP A 8 1.534 11.683 11.692 1.00 3.04 H new ATOM 0 HZ3 TRP A 8 -0.774 8.082 11.752 1.00 0.13 H new ATOM 0 HH2 TRP A 8 1.152 9.404 12.527 1.00 21.32 H new ATOM 128 N ILE A 9 -5.114 9.353 6.392 1.00 22.24 N ATOM 129 CA ILE A 9 -6.177 8.356 6.361 1.00 52.44 C ATOM 130 C ILE A 9 -6.209 7.629 5.021 1.00 61.11 C ATOM 131 O ILE A 9 -5.489 7.989 4.089 1.00 22.21 O ATOM 132 CB ILE A 9 -7.555 8.995 6.618 1.00 61.00 C ATOM 133 CG1 ILE A 9 -7.874 10.025 5.533 1.00 55.31 C ATOM 134 CG2 ILE A 9 -7.591 9.640 7.995 1.00 22.15 C ATOM 135 CD1 ILE A 9 -8.601 9.442 4.341 1.00 15.34 C ATOM 0 H ILE A 9 -5.221 10.106 5.713 1.00 22.24 H new ATOM 0 HA ILE A 9 -5.963 7.641 7.155 1.00 52.44 H new ATOM 0 HB ILE A 9 -8.314 8.213 6.585 1.00 61.00 H new ATOM 0 HG12 ILE A 9 -8.481 10.820 5.966 1.00 55.31 H new ATOM 0 HG13 ILE A 9 -6.945 10.483 5.193 1.00 55.31 H new ATOM 0 HG21 ILE A 9 -8.571 10.087 8.162 1.00 22.15 H new ATOM 0 HG22 ILE A 9 -7.403 8.883 8.756 1.00 22.15 H new ATOM 0 HG23 ILE A 9 -6.825 10.413 8.055 1.00 22.15 H new ATOM 0 HD11 ILE A 9 -8.794 10.229 3.612 1.00 15.34 H new ATOM 0 HD12 ILE A 9 -7.986 8.667 3.883 1.00 15.34 H new ATOM 0 HD13 ILE A 9 -9.547 9.010 4.668 1.00 15.34 H new ATOM 147 N CYS A 10 -7.050 6.604 4.930 1.00 22.12 N ATOM 148 CA CYS A 10 -7.178 5.825 3.704 1.00 2.33 C ATOM 149 C CYS A 10 -8.610 5.331 3.521 1.00 41.43 C ATOM 150 O CYS A 10 -9.512 5.723 4.261 1.00 32.23 O ATOM 151 CB CYS A 10 -6.216 4.636 3.728 1.00 44.11 C ATOM 152 SG CYS A 10 -4.458 5.104 3.823 1.00 24.24 S ATOM 0 H CYS A 10 -7.653 6.293 5.691 1.00 22.12 H new ATOM 0 HA CYS A 10 -6.925 6.472 2.864 1.00 2.33 H new ATOM 0 HB2 CYS A 10 -6.459 4.003 4.581 1.00 44.11 H new ATOM 0 HB3 CYS A 10 -6.374 4.037 2.831 1.00 44.11 H new ATOM 157 N ARG A 11 -8.810 4.469 2.529 1.00 11.42 N ATOM 158 CA ARG A 11 -10.132 3.923 2.247 1.00 22.44 C ATOM 159 C ARG A 11 -10.782 3.389 3.520 1.00 12.15 C ATOM 160 O ARG A 11 -11.680 4.018 4.081 1.00 72.23 O ATOM 161 CB ARG A 11 -10.034 2.806 1.206 1.00 41.52 C ATOM 162 CG ARG A 11 -9.565 3.286 -0.158 1.00 74.14 C ATOM 163 CD ARG A 11 -10.739 3.575 -1.081 1.00 15.45 C ATOM 164 NE ARG A 11 -11.098 2.415 -1.891 1.00 31.40 N ATOM 165 CZ ARG A 11 -10.440 2.051 -2.986 1.00 41.31 C ATOM 166 NH1 ARG A 11 -9.394 2.754 -3.399 1.00 54.31 N ATOM 167 NH2 ARG A 11 -10.827 0.982 -3.670 1.00 40.33 N ATOM 0 H ARG A 11 -8.074 4.134 1.908 1.00 11.42 H new ATOM 0 HA ARG A 11 -10.753 4.727 1.851 1.00 22.44 H new ATOM 0 HB2 ARG A 11 -9.347 2.041 1.569 1.00 41.52 H new ATOM 0 HB3 ARG A 11 -11.010 2.333 1.100 1.00 41.52 H new ATOM 0 HG2 ARG A 11 -8.963 4.187 -0.041 1.00 74.14 H new ATOM 0 HG3 ARG A 11 -8.923 2.530 -0.610 1.00 74.14 H new ATOM 0 HD2 ARG A 11 -11.600 3.882 -0.487 1.00 15.45 H new ATOM 0 HD3 ARG A 11 -10.488 4.410 -1.735 1.00 15.45 H new ATOM 0 HE ARG A 11 -11.898 1.853 -1.600 1.00 31.40 H new ATOM 0 HH11 ARG A 11 -9.093 3.576 -2.875 1.00 54.31 H new ATOM 0 HH12 ARG A 11 -8.890 2.473 -4.240 1.00 54.31 H new ATOM 0 HH21 ARG A 11 -11.631 0.439 -3.355 1.00 40.33 H new ATOM 0 HH22 ARG A 11 -10.321 0.704 -4.511 1.00 40.33 H new ATOM 181 N TRP A 12 -10.323 2.227 3.971 1.00 53.14 N ATOM 182 CA TRP A 12 -10.861 1.609 5.177 1.00 21.13 C ATOM 183 C TRP A 12 -10.153 0.292 5.476 1.00 1.11 C ATOM 184 O TRP A 12 -9.943 -0.528 4.583 1.00 53.50 O ATOM 185 CB TRP A 12 -12.364 1.371 5.027 1.00 54.12 C ATOM 186 CG TRP A 12 -13.199 2.299 5.858 1.00 64.44 C ATOM 187 CD1 TRP A 12 -13.120 2.483 7.208 1.00 12.45 C ATOM 188 CD2 TRP A 12 -14.238 3.166 5.392 1.00 70.14 C ATOM 189 NE1 TRP A 12 -14.048 3.413 7.610 1.00 15.34 N ATOM 190 CE2 TRP A 12 -14.746 3.848 6.515 1.00 72.14 C ATOM 191 CE3 TRP A 12 -14.788 3.434 4.135 1.00 4.42 C ATOM 192 CZ2 TRP A 12 -15.777 4.778 6.416 1.00 11.53 C ATOM 193 CZ3 TRP A 12 -15.811 4.358 4.039 1.00 1.03 C ATOM 194 CH2 TRP A 12 -16.297 5.022 5.174 1.00 64.31 C ATOM 0 H TRP A 12 -9.580 1.694 3.520 1.00 53.14 H new ATOM 0 HA TRP A 12 -10.690 2.290 6.011 1.00 21.13 H new ATOM 0 HB2 TRP A 12 -12.640 1.486 3.979 1.00 54.12 H new ATOM 0 HB3 TRP A 12 -12.591 0.342 5.305 1.00 54.12 H new ATOM 0 HD1 TRP A 12 -12.430 1.973 7.864 1.00 12.45 H new ATOM 0 HE1 TRP A 12 -14.194 3.728 8.569 1.00 15.34 H new ATOM 0 HE3 TRP A 12 -14.420 2.928 3.255 1.00 4.42 H new ATOM 0 HZ2 TRP A 12 -16.154 5.289 7.289 1.00 11.53 H new ATOM 0 HZ3 TRP A 12 -16.244 4.572 3.073 1.00 1.03 H new ATOM 0 HH2 TRP A 12 -17.097 5.740 5.066 1.00 64.31 H new ATOM 205 N GLY A 13 -9.786 0.095 6.739 1.00 13.21 N ATOM 206 CA GLY A 13 -9.106 -1.125 7.132 1.00 4.44 C ATOM 207 C GLY A 13 -7.903 -1.424 6.260 1.00 23.41 C ATOM 208 O GLY A 13 -7.658 -2.577 5.905 1.00 41.20 O ATOM 0 H GLY A 13 -9.948 0.759 7.497 1.00 13.21 H new ATOM 0 HA2 GLY A 13 -8.786 -1.041 8.171 1.00 4.44 H new ATOM 0 HA3 GLY A 13 -9.805 -1.960 7.080 1.00 4.44 H new ATOM 212 N GLU A 14 -7.151 -0.384 5.913 1.00 74.11 N ATOM 213 CA GLU A 14 -5.969 -0.543 5.074 1.00 11.43 C ATOM 214 C GLU A 14 -4.740 -0.858 5.921 1.00 24.53 C ATOM 215 O GLU A 14 -4.816 -0.915 7.149 1.00 52.13 O ATOM 216 CB GLU A 14 -5.725 0.726 4.254 1.00 64.30 C ATOM 217 CG GLU A 14 -6.896 1.112 3.366 1.00 21.34 C ATOM 218 CD GLU A 14 -6.733 0.622 1.940 1.00 15.04 C ATOM 219 OE1 GLU A 14 -6.357 -0.555 1.757 1.00 12.32 O ATOM 220 OE2 GLU A 14 -6.982 1.415 1.008 1.00 32.33 O ATOM 0 H GLU A 14 -7.339 0.577 6.200 1.00 74.11 H new ATOM 0 HA GLU A 14 -6.145 -1.378 4.395 1.00 11.43 H new ATOM 0 HB2 GLU A 14 -5.507 1.551 4.933 1.00 64.30 H new ATOM 0 HB3 GLU A 14 -4.841 0.583 3.633 1.00 64.30 H new ATOM 0 HG2 GLU A 14 -7.815 0.702 3.784 1.00 21.34 H new ATOM 0 HG3 GLU A 14 -7.003 2.197 3.364 1.00 21.34 H new ATOM 227 N ARG A 15 -3.607 -1.064 5.256 1.00 34.15 N ATOM 228 CA ARG A 15 -2.362 -1.376 5.947 1.00 61.20 C ATOM 229 C ARG A 15 -1.171 -0.747 5.230 1.00 24.24 C ATOM 230 O ARG A 15 -1.254 -0.402 4.051 1.00 4.43 O ATOM 231 CB ARG A 15 -2.172 -2.891 6.041 1.00 30.24 C ATOM 232 CG ARG A 15 -1.727 -3.532 4.737 1.00 41.21 C ATOM 233 CD ARG A 15 -0.249 -3.890 4.768 1.00 74.20 C ATOM 234 NE ARG A 15 -0.038 -5.326 4.933 1.00 2.34 N ATOM 235 CZ ARG A 15 1.122 -5.860 5.299 1.00 61.33 C ATOM 236 NH1 ARG A 15 2.169 -5.082 5.536 1.00 60.22 N ATOM 237 NH2 ARG A 15 1.236 -7.176 5.428 1.00 21.00 N ATOM 0 H ARG A 15 -3.526 -1.020 4.240 1.00 34.15 H new ATOM 0 HA ARG A 15 -2.420 -0.961 6.953 1.00 61.20 H new ATOM 0 HB2 ARG A 15 -1.434 -3.109 6.813 1.00 30.24 H new ATOM 0 HB3 ARG A 15 -3.110 -3.347 6.359 1.00 30.24 H new ATOM 0 HG2 ARG A 15 -2.316 -4.430 4.552 1.00 41.21 H new ATOM 0 HG3 ARG A 15 -1.920 -2.849 3.910 1.00 41.21 H new ATOM 0 HD2 ARG A 15 0.224 -3.558 3.844 1.00 74.20 H new ATOM 0 HD3 ARG A 15 0.237 -3.356 5.585 1.00 74.20 H new ATOM 0 HE ARG A 15 -0.824 -5.952 4.758 1.00 2.34 H new ATOM 0 HH11 ARG A 15 2.085 -4.070 5.437 1.00 60.22 H new ATOM 0 HH12 ARG A 15 3.058 -5.495 5.817 1.00 60.22 H new ATOM 0 HH21 ARG A 15 0.433 -7.778 5.246 1.00 21.00 H new ATOM 0 HH22 ARG A 15 2.127 -7.586 5.709 1.00 21.00 H new ATOM 251 N HIS A 16 -0.063 -0.601 5.951 1.00 61.14 N ATOM 252 CA HIS A 16 1.146 -0.014 5.384 1.00 52.34 C ATOM 253 C HIS A 16 1.840 -0.998 4.447 1.00 50.54 C ATOM 254 O HIS A 16 2.146 -2.126 4.832 1.00 74.15 O ATOM 255 CB HIS A 16 2.103 0.410 6.498 1.00 64.22 C ATOM 256 CG HIS A 16 3.485 0.725 6.013 1.00 71.34 C ATOM 257 ND1 HIS A 16 4.623 0.399 6.719 1.00 23.22 N ATOM 258 CD2 HIS A 16 3.908 1.338 4.883 1.00 40.33 C ATOM 259 CE1 HIS A 16 5.687 0.800 6.046 1.00 73.11 C ATOM 260 NE2 HIS A 16 5.280 1.373 4.927 1.00 21.24 N ATOM 0 H HIS A 16 0.022 -0.881 6.928 1.00 61.14 H new ATOM 0 HA HIS A 16 0.858 0.866 4.809 1.00 52.34 H new ATOM 0 HB2 HIS A 16 1.695 1.286 7.002 1.00 64.22 H new ATOM 0 HB3 HIS A 16 2.160 -0.387 7.240 1.00 64.22 H new ATOM 0 HD1 HIS A 16 4.641 -0.078 7.621 1.00 23.22 H new ATOM 0 HD2 HIS A 16 3.283 1.727 4.093 1.00 40.33 H new ATOM 0 HE1 HIS A 16 6.714 0.680 6.357 1.00 73.11 H new ATOM 268 N SER A 17 2.085 -0.562 3.215 1.00 41.20 N ATOM 269 CA SER A 17 2.739 -1.406 2.222 1.00 51.33 C ATOM 270 C SER A 17 4.043 -0.773 1.745 1.00 31.21 C ATOM 271 O SER A 17 4.938 -1.462 1.258 1.00 44.22 O ATOM 272 CB SER A 17 1.808 -1.642 1.031 1.00 64.25 C ATOM 273 OG SER A 17 1.448 -3.009 0.928 1.00 4.01 O ATOM 0 H SER A 17 1.840 0.370 2.881 1.00 41.20 H new ATOM 0 HA SER A 17 2.970 -2.363 2.690 1.00 51.33 H new ATOM 0 HB2 SER A 17 0.910 -1.034 1.141 1.00 64.25 H new ATOM 0 HB3 SER A 17 2.299 -1.322 0.112 1.00 64.25 H new ATOM 0 HG SER A 17 1.302 -3.239 -0.013 1.00 4.01 H new ATOM 279 N GLY A 18 4.142 0.545 1.890 1.00 73.11 N ATOM 280 CA GLY A 18 5.339 1.250 1.470 1.00 73.32 C ATOM 281 C GLY A 18 5.039 2.640 0.944 1.00 31.44 C ATOM 282 O GLY A 18 4.235 3.371 1.523 1.00 24.15 O ATOM 0 H GLY A 18 3.415 1.137 2.291 1.00 73.11 H new ATOM 0 HA2 GLY A 18 6.027 1.324 2.312 1.00 73.32 H new ATOM 0 HA3 GLY A 18 5.844 0.673 0.695 1.00 73.32 H new ATOM 286 N LYS A 19 5.687 3.007 -0.156 1.00 3.14 N ATOM 287 CA LYS A 19 5.487 4.319 -0.760 1.00 62.32 C ATOM 288 C LYS A 19 5.913 4.313 -2.225 1.00 12.41 C ATOM 289 O LYS A 19 6.793 3.550 -2.623 1.00 44.44 O ATOM 290 CB LYS A 19 6.276 5.382 0.007 1.00 13.42 C ATOM 291 CG LYS A 19 7.765 5.370 -0.292 1.00 73.42 C ATOM 292 CD LYS A 19 8.586 5.666 0.951 1.00 1.33 C ATOM 293 CE LYS A 19 9.984 6.147 0.594 1.00 2.11 C ATOM 294 NZ LYS A 19 11.034 5.414 1.355 1.00 51.41 N ATOM 0 H LYS A 19 6.356 2.414 -0.648 1.00 3.14 H new ATOM 0 HA LYS A 19 4.425 4.557 -0.709 1.00 62.32 H new ATOM 0 HB2 LYS A 19 5.874 6.366 -0.235 1.00 13.42 H new ATOM 0 HB3 LYS A 19 6.128 5.231 1.076 1.00 13.42 H new ATOM 0 HG2 LYS A 19 8.049 4.397 -0.693 1.00 73.42 H new ATOM 0 HG3 LYS A 19 7.988 6.109 -1.061 1.00 73.42 H new ATOM 0 HD2 LYS A 19 8.081 6.424 1.550 1.00 1.33 H new ATOM 0 HD3 LYS A 19 8.655 4.768 1.565 1.00 1.33 H new ATOM 0 HE2 LYS A 19 10.151 6.015 -0.475 1.00 2.11 H new ATOM 0 HE3 LYS A 19 10.065 7.214 0.800 1.00 2.11 H new ATOM 0 HZ1 LYS A 19 11.972 5.771 1.083 1.00 51.41 H new ATOM 0 HZ2 LYS A 19 10.890 5.560 2.375 1.00 51.41 H new ATOM 0 HZ3 LYS A 19 10.974 4.398 1.139 1.00 51.41 H new ATOM 308 N CYS A 20 5.283 5.170 -3.022 1.00 64.14 N ATOM 309 CA CYS A 20 5.597 5.265 -4.443 1.00 1.11 C ATOM 310 C CYS A 20 5.537 6.714 -4.917 1.00 42.23 C ATOM 311 O CYS A 20 4.620 7.456 -4.563 1.00 44.35 O ATOM 312 CB CYS A 20 4.627 4.409 -5.259 1.00 51.14 C ATOM 313 SG CYS A 20 2.870 4.741 -4.913 1.00 14.34 S ATOM 0 H CYS A 20 4.552 5.808 -2.708 1.00 64.14 H new ATOM 0 HA CYS A 20 6.611 4.894 -4.592 1.00 1.11 H new ATOM 0 HB2 CYS A 20 4.815 4.577 -6.319 1.00 51.14 H new ATOM 0 HB3 CYS A 20 4.833 3.357 -5.061 1.00 51.14 H new ATOM 318 N ILE A 21 6.520 7.109 -5.720 1.00 12.33 N ATOM 319 CA ILE A 21 6.578 8.468 -6.243 1.00 50.34 C ATOM 320 C ILE A 21 5.508 8.694 -7.306 1.00 42.04 C ATOM 321 O ILE A 21 5.292 7.847 -8.173 1.00 55.14 O ATOM 322 CB ILE A 21 7.960 8.780 -6.848 1.00 11.14 C ATOM 323 CG1 ILE A 21 8.266 7.819 -7.998 1.00 42.22 C ATOM 324 CG2 ILE A 21 9.038 8.694 -5.777 1.00 54.02 C ATOM 325 CD1 ILE A 21 8.398 8.505 -9.340 1.00 2.42 C ATOM 0 H ILE A 21 7.286 6.507 -6.022 1.00 12.33 H new ATOM 0 HA ILE A 21 6.399 9.138 -5.402 1.00 50.34 H new ATOM 0 HB ILE A 21 7.947 9.796 -7.243 1.00 11.14 H new ATOM 0 HG12 ILE A 21 9.191 7.286 -7.779 1.00 42.22 H new ATOM 0 HG13 ILE A 21 7.474 7.072 -8.057 1.00 42.22 H new ATOM 0 HG21 ILE A 21 10.009 8.917 -6.219 1.00 54.02 H new ATOM 0 HG22 ILE A 21 8.825 9.415 -4.988 1.00 54.02 H new ATOM 0 HG23 ILE A 21 9.053 7.689 -5.356 1.00 54.02 H new ATOM 0 HD11 ILE A 21 8.615 7.763 -10.108 1.00 2.42 H new ATOM 0 HD12 ILE A 21 7.465 9.015 -9.581 1.00 2.42 H new ATOM 0 HD13 ILE A 21 9.209 9.232 -9.299 1.00 2.42 H new ATOM 337 N ASP A 22 4.843 9.842 -7.234 1.00 64.13 N ATOM 338 CA ASP A 22 3.798 10.181 -8.192 1.00 54.23 C ATOM 339 C ASP A 22 3.381 11.642 -8.047 1.00 61.44 C ATOM 340 O ASP A 22 3.306 12.375 -9.032 1.00 41.54 O ATOM 341 CB ASP A 22 2.584 9.270 -7.999 1.00 42.31 C ATOM 342 CG ASP A 22 2.436 8.258 -9.118 1.00 51.42 C ATOM 343 OD1 ASP A 22 2.066 8.665 -10.239 1.00 61.55 O ATOM 344 OD2 ASP A 22 2.689 7.060 -8.872 1.00 52.25 O ATOM 0 H ASP A 22 5.009 10.553 -6.522 1.00 64.13 H new ATOM 0 HA ASP A 22 4.198 10.033 -9.195 1.00 54.23 H new ATOM 0 HB2 ASP A 22 2.675 8.745 -7.048 1.00 42.31 H new ATOM 0 HB3 ASP A 22 1.682 9.879 -7.942 1.00 42.31 H new ATOM 349 N GLN A 23 3.111 12.055 -6.814 1.00 34.15 N ATOM 350 CA GLN A 23 2.700 13.427 -6.541 1.00 12.21 C ATOM 351 C GLN A 23 3.570 14.050 -5.455 1.00 2.44 C ATOM 352 O GLN A 23 3.155 14.988 -4.774 1.00 5.44 O ATOM 353 CB GLN A 23 1.230 13.468 -6.119 1.00 60.40 C ATOM 354 CG GLN A 23 0.842 12.354 -5.159 1.00 54.45 C ATOM 355 CD GLN A 23 -0.408 12.678 -4.365 1.00 55.14 C ATOM 356 OE1 GLN A 23 -0.720 13.845 -4.124 1.00 61.31 O ATOM 357 NE2 GLN A 23 -1.133 11.644 -3.954 1.00 52.21 N ATOM 0 H GLN A 23 3.169 11.460 -5.988 1.00 34.15 H new ATOM 0 HA GLN A 23 2.824 14.005 -7.457 1.00 12.21 H new ATOM 0 HB2 GLN A 23 1.022 14.430 -5.650 1.00 60.40 H new ATOM 0 HB3 GLN A 23 0.603 13.405 -7.008 1.00 60.40 H new ATOM 0 HG2 GLN A 23 0.683 11.434 -5.721 1.00 54.45 H new ATOM 0 HG3 GLN A 23 1.667 12.168 -4.471 1.00 54.45 H new ATOM 0 HE21 GLN A 23 -0.837 10.693 -4.176 1.00 52.21 H new ATOM 0 HE22 GLN A 23 -1.985 11.800 -3.416 1.00 52.21 H new ATOM 366 N LYS A 24 4.780 13.523 -5.297 1.00 75.23 N ATOM 367 CA LYS A 24 5.710 14.027 -4.294 1.00 62.05 C ATOM 368 C LYS A 24 5.169 13.800 -2.887 1.00 32.23 C ATOM 369 O LYS A 24 4.192 14.427 -2.478 1.00 25.00 O ATOM 370 CB LYS A 24 5.973 15.518 -4.517 1.00 1.12 C ATOM 371 CG LYS A 24 7.449 15.877 -4.553 1.00 74.22 C ATOM 372 CD LYS A 24 7.672 17.349 -4.252 1.00 1.23 C ATOM 373 CE LYS A 24 9.017 17.828 -4.776 1.00 62.43 C ATOM 374 NZ LYS A 24 10.098 17.658 -3.766 1.00 45.35 N ATOM 0 H LYS A 24 5.139 12.746 -5.852 1.00 75.23 H new ATOM 0 HA LYS A 24 6.647 13.480 -4.396 1.00 62.05 H new ATOM 0 HB2 LYS A 24 5.510 15.824 -5.456 1.00 1.12 H new ATOM 0 HB3 LYS A 24 5.489 16.086 -3.723 1.00 1.12 H new ATOM 0 HG2 LYS A 24 7.990 15.270 -3.827 1.00 74.22 H new ATOM 0 HG3 LYS A 24 7.858 15.639 -5.535 1.00 74.22 H new ATOM 0 HD2 LYS A 24 6.874 17.939 -4.703 1.00 1.23 H new ATOM 0 HD3 LYS A 24 7.620 17.513 -3.176 1.00 1.23 H new ATOM 0 HE2 LYS A 24 9.273 17.274 -5.679 1.00 62.43 H new ATOM 0 HE3 LYS A 24 8.944 18.879 -5.057 1.00 62.43 H new ATOM 0 HZ1 LYS A 24 10.999 17.996 -4.161 1.00 45.35 H new ATOM 0 HZ2 LYS A 24 9.866 18.207 -2.914 1.00 45.35 H new ATOM 0 HZ3 LYS A 24 10.185 16.652 -3.517 1.00 45.35 H new ATOM 388 N GLY A 25 5.811 12.899 -2.148 1.00 52.35 N ATOM 389 CA GLY A 25 5.380 12.607 -0.794 1.00 34.10 C ATOM 390 C GLY A 25 6.534 12.234 0.114 1.00 24.52 C ATOM 391 O GLY A 25 7.190 11.212 -0.092 1.00 11.21 O ATOM 0 H GLY A 25 6.622 12.367 -2.464 1.00 52.35 H new ATOM 0 HA2 GLY A 25 4.866 13.476 -0.384 1.00 34.10 H new ATOM 0 HA3 GLY A 25 4.659 11.790 -0.814 1.00 34.10 H new ATOM 395 N SER A 26 6.786 13.064 1.121 1.00 34.24 N ATOM 396 CA SER A 26 7.873 12.818 2.061 1.00 1.33 C ATOM 397 C SER A 26 7.431 11.863 3.165 1.00 24.45 C ATOM 398 O SER A 26 7.794 10.685 3.167 1.00 53.54 O ATOM 399 CB SER A 26 8.353 14.136 2.673 1.00 25.43 C ATOM 400 OG SER A 26 9.323 14.758 1.848 1.00 72.11 O ATOM 0 H SER A 26 6.252 13.913 1.307 1.00 34.24 H new ATOM 0 HA SER A 26 8.696 12.357 1.515 1.00 1.33 H new ATOM 0 HB2 SER A 26 7.505 14.807 2.811 1.00 25.43 H new ATOM 0 HB3 SER A 26 8.776 13.949 3.660 1.00 25.43 H new ATOM 0 HG SER A 26 9.612 15.599 2.260 1.00 72.11 H new ATOM 406 N THR A 27 6.645 12.378 4.106 1.00 25.50 N ATOM 407 CA THR A 27 6.154 11.572 5.217 1.00 5.20 C ATOM 408 C THR A 27 4.780 10.990 4.909 1.00 53.12 C ATOM 409 O THR A 27 3.754 11.600 5.213 1.00 42.15 O ATOM 410 CB THR A 27 6.071 12.397 6.515 1.00 13.30 C ATOM 411 OG1 THR A 27 7.212 13.255 6.625 1.00 51.34 O ATOM 412 CG2 THR A 27 5.996 11.487 7.731 1.00 31.33 C ATOM 0 H THR A 27 6.335 13.350 4.121 1.00 25.50 H new ATOM 0 HA THR A 27 6.866 10.759 5.357 1.00 5.20 H new ATOM 0 HB THR A 27 5.165 13.002 6.477 1.00 13.30 H new ATOM 0 HG1 THR A 27 7.150 13.777 7.452 1.00 51.34 H new ATOM 0 HG21 THR A 27 5.938 12.092 8.636 1.00 31.33 H new ATOM 0 HG22 THR A 27 5.110 10.856 7.659 1.00 31.33 H new ATOM 0 HG23 THR A 27 6.886 10.859 7.771 1.00 31.33 H new ATOM 420 N TYR A 28 4.765 9.807 4.305 1.00 44.22 N ATOM 421 CA TYR A 28 3.516 9.143 3.954 1.00 54.32 C ATOM 422 C TYR A 28 3.745 7.660 3.679 1.00 12.15 C ATOM 423 O TYR A 28 4.882 7.187 3.671 1.00 15.45 O ATOM 424 CB TYR A 28 2.887 9.809 2.729 1.00 72.25 C ATOM 425 CG TYR A 28 3.521 9.392 1.421 1.00 43.32 C ATOM 426 CD1 TYR A 28 4.900 9.271 1.302 1.00 22.14 C ATOM 427 CD2 TYR A 28 2.741 9.119 0.304 1.00 43.23 C ATOM 428 CE1 TYR A 28 5.484 8.891 0.109 1.00 0.53 C ATOM 429 CE2 TYR A 28 3.316 8.738 -0.893 1.00 64.41 C ATOM 430 CZ TYR A 28 4.688 8.626 -0.985 1.00 61.34 C ATOM 431 OH TYR A 28 5.266 8.246 -2.175 1.00 53.02 O ATOM 0 H TYR A 28 5.605 9.288 4.048 1.00 44.22 H new ATOM 0 HA TYR A 28 2.835 9.236 4.800 1.00 54.32 H new ATOM 0 HB2 TYR A 28 1.824 9.569 2.701 1.00 72.25 H new ATOM 0 HB3 TYR A 28 2.967 10.891 2.833 1.00 72.25 H new ATOM 0 HD1 TYR A 28 5.526 9.478 2.157 1.00 22.14 H new ATOM 0 HD2 TYR A 28 1.667 9.206 0.373 1.00 43.23 H new ATOM 0 HE1 TYR A 28 6.558 8.802 0.034 1.00 0.53 H new ATOM 0 HE2 TYR A 28 2.695 8.529 -1.752 1.00 64.41 H new ATOM 0 HH TYR A 28 4.565 8.019 -2.821 1.00 53.02 H new ATOM 441 N ARG A 29 2.656 6.932 3.454 1.00 23.43 N ATOM 442 CA ARG A 29 2.737 5.502 3.180 1.00 41.12 C ATOM 443 C ARG A 29 1.462 5.005 2.504 1.00 3.32 C ATOM 444 O ARG A 29 0.354 5.346 2.919 1.00 34.34 O ATOM 445 CB ARG A 29 2.976 4.725 4.476 1.00 43.03 C ATOM 446 CG ARG A 29 1.934 4.994 5.549 1.00 51.44 C ATOM 447 CD ARG A 29 2.363 6.125 6.470 1.00 14.25 C ATOM 448 NE ARG A 29 1.224 6.746 7.141 1.00 14.41 N ATOM 449 CZ ARG A 29 0.645 6.243 8.225 1.00 30.44 C ATOM 450 NH1 ARG A 29 1.097 5.116 8.759 1.00 14.02 N ATOM 451 NH2 ARG A 29 -0.387 6.866 8.778 1.00 15.25 N ATOM 0 H ARG A 29 1.708 7.308 3.456 1.00 23.43 H new ATOM 0 HA ARG A 29 3.576 5.334 2.504 1.00 41.12 H new ATOM 0 HB2 ARG A 29 2.988 3.658 4.253 1.00 43.03 H new ATOM 0 HB3 ARG A 29 3.961 4.980 4.866 1.00 43.03 H new ATOM 0 HG2 ARG A 29 0.983 5.246 5.079 1.00 51.44 H new ATOM 0 HG3 ARG A 29 1.770 4.089 6.134 1.00 51.44 H new ATOM 0 HD2 ARG A 29 3.058 5.741 7.216 1.00 14.25 H new ATOM 0 HD3 ARG A 29 2.899 6.879 5.893 1.00 14.25 H new ATOM 0 HE ARG A 29 0.853 7.614 6.756 1.00 14.41 H new ATOM 0 HH11 ARG A 29 1.891 4.634 8.337 1.00 14.02 H new ATOM 0 HH12 ARG A 29 0.651 4.731 9.592 1.00 14.02 H new ATOM 0 HH21 ARG A 29 -0.737 7.733 8.371 1.00 15.25 H new ATOM 0 HH22 ARG A 29 -0.830 6.478 9.611 1.00 15.25 H new ATOM 465 N LEU A 30 1.627 4.200 1.461 1.00 23.41 N ATOM 466 CA LEU A 30 0.490 3.656 0.727 1.00 60.22 C ATOM 467 C LEU A 30 -0.456 2.910 1.663 1.00 61.15 C ATOM 468 O LEU A 30 -0.217 2.828 2.868 1.00 73.32 O ATOM 469 CB LEU A 30 0.974 2.718 -0.381 1.00 10.51 C ATOM 470 CG LEU A 30 2.187 3.195 -1.181 1.00 55.23 C ATOM 471 CD1 LEU A 30 2.403 2.311 -2.400 1.00 11.22 C ATOM 472 CD2 LEU A 30 2.013 4.648 -1.598 1.00 55.24 C ATOM 0 H LEU A 30 2.537 3.909 1.104 1.00 23.41 H new ATOM 0 HA LEU A 30 -0.053 4.488 0.279 1.00 60.22 H new ATOM 0 HB2 LEU A 30 1.215 1.754 0.066 1.00 10.51 H new ATOM 0 HB3 LEU A 30 0.150 2.551 -1.074 1.00 10.51 H new ATOM 0 HG LEU A 30 3.069 3.124 -0.545 1.00 55.23 H new ATOM 0 HD11 LEU A 30 3.270 2.665 -2.957 1.00 11.22 H new ATOM 0 HD12 LEU A 30 2.573 1.283 -2.079 1.00 11.22 H new ATOM 0 HD13 LEU A 30 1.521 2.350 -3.039 1.00 11.22 H new ATOM 0 HD21 LEU A 30 2.886 4.970 -2.166 1.00 55.24 H new ATOM 0 HD22 LEU A 30 1.121 4.745 -2.217 1.00 55.24 H new ATOM 0 HD23 LEU A 30 1.908 5.271 -0.710 1.00 55.24 H new ATOM 484 N CYS A 31 -1.530 2.366 1.099 1.00 25.25 N ATOM 485 CA CYS A 31 -2.511 1.625 1.882 1.00 73.31 C ATOM 486 C CYS A 31 -2.967 0.373 1.138 1.00 55.15 C ATOM 487 O CYS A 31 -3.750 0.451 0.190 1.00 42.42 O ATOM 488 CB CYS A 31 -3.717 2.512 2.198 1.00 74.43 C ATOM 489 SG CYS A 31 -3.625 3.344 3.815 1.00 2.14 S ATOM 0 H CYS A 31 -1.742 2.425 0.103 1.00 25.25 H new ATOM 0 HA CYS A 31 -2.039 1.320 2.816 1.00 73.31 H new ATOM 0 HB2 CYS A 31 -3.813 3.267 1.418 1.00 74.43 H new ATOM 0 HB3 CYS A 31 -4.621 1.903 2.166 1.00 74.43 H new ATOM 494 N CYS A 32 -2.473 -0.781 1.573 1.00 12.23 N ATOM 495 CA CYS A 32 -2.829 -2.050 0.950 1.00 44.33 C ATOM 496 C CYS A 32 -3.640 -2.918 1.907 1.00 23.02 C ATOM 497 O CYS A 32 -4.053 -2.464 2.974 1.00 32.02 O ATOM 498 CB CYS A 32 -1.568 -2.797 0.510 1.00 2.41 C ATOM 499 SG CYS A 32 -1.511 -3.175 -1.271 1.00 44.40 S ATOM 0 H CYS A 32 -1.824 -0.863 2.356 1.00 12.23 H new ATOM 0 HA CYS A 32 -3.442 -1.837 0.074 1.00 44.33 H new ATOM 0 HB2 CYS A 32 -0.695 -2.200 0.772 1.00 2.41 H new ATOM 0 HB3 CYS A 32 -1.496 -3.729 1.071 1.00 2.41 H new ATOM 504 N ARG A 33 -3.863 -4.169 1.518 1.00 63.01 N ATOM 505 CA ARG A 33 -4.625 -5.101 2.341 1.00 43.24 C ATOM 506 C ARG A 33 -3.974 -6.481 2.344 1.00 5.21 C ATOM 507 O ARG A 33 -4.587 -7.468 1.938 1.00 24.35 O ATOM 508 CB ARG A 33 -6.063 -5.205 1.831 1.00 34.32 C ATOM 509 CG ARG A 33 -7.058 -5.630 2.899 1.00 72.42 C ATOM 510 CD ARG A 33 -7.353 -7.120 2.824 1.00 23.41 C ATOM 511 NE ARG A 33 -6.619 -7.875 3.837 1.00 40.23 N ATOM 512 CZ ARG A 33 -6.937 -7.875 5.127 1.00 62.45 C ATOM 513 NH1 ARG A 33 -7.970 -7.165 5.558 1.00 30.54 N ATOM 514 NH2 ARG A 33 -6.221 -8.588 5.987 1.00 2.52 N ATOM 0 H ARG A 33 -3.527 -4.561 0.638 1.00 63.01 H new ATOM 0 HA ARG A 33 -4.635 -4.721 3.363 1.00 43.24 H new ATOM 0 HB2 ARG A 33 -6.367 -4.240 1.427 1.00 34.32 H new ATOM 0 HB3 ARG A 33 -6.097 -5.920 1.009 1.00 34.32 H new ATOM 0 HG2 ARG A 33 -6.662 -5.386 3.885 1.00 72.42 H new ATOM 0 HG3 ARG A 33 -7.984 -5.068 2.779 1.00 72.42 H new ATOM 0 HD2 ARG A 33 -8.423 -7.285 2.953 1.00 23.41 H new ATOM 0 HD3 ARG A 33 -7.091 -7.492 1.834 1.00 23.41 H new ATOM 0 HE ARG A 33 -5.819 -8.432 3.538 1.00 40.23 H new ATOM 0 HH11 ARG A 33 -8.523 -6.617 4.899 1.00 30.54 H new ATOM 0 HH12 ARG A 33 -8.212 -7.167 6.549 1.00 30.54 H new ATOM 0 HH21 ARG A 33 -5.426 -9.136 5.658 1.00 2.52 H new ATOM 0 HH22 ARG A 33 -6.465 -8.588 6.977 1.00 2.52 H new ATOM 528 N ARG A 34 -2.728 -6.541 2.804 1.00 11.51 N ATOM 529 CA ARG A 34 -1.993 -7.799 2.859 1.00 54.43 C ATOM 530 C ARG A 34 -1.980 -8.359 4.278 1.00 62.11 C ATOM 531 O ARG A 34 -2.230 -9.546 4.489 1.00 14.34 O ATOM 532 CB ARG A 34 -0.560 -7.598 2.364 1.00 24.33 C ATOM 533 CG ARG A 34 -0.463 -7.321 0.873 1.00 62.10 C ATOM 534 CD ARG A 34 -0.476 -8.609 0.065 1.00 61.30 C ATOM 535 NE ARG A 34 0.137 -8.437 -1.250 1.00 33.25 N ATOM 536 CZ ARG A 34 0.189 -9.396 -2.167 1.00 70.12 C ATOM 537 NH1 ARG A 34 -0.333 -10.589 -1.915 1.00 44.31 N ATOM 538 NH2 ARG A 34 0.763 -9.163 -3.340 1.00 44.24 N ATOM 0 H ARG A 34 -2.207 -5.733 3.144 1.00 11.51 H new ATOM 0 HA ARG A 34 -2.497 -8.515 2.210 1.00 54.43 H new ATOM 0 HB2 ARG A 34 -0.110 -6.768 2.909 1.00 24.33 H new ATOM 0 HB3 ARG A 34 0.024 -8.488 2.598 1.00 24.33 H new ATOM 0 HG2 ARG A 34 -1.295 -6.688 0.565 1.00 62.10 H new ATOM 0 HG3 ARG A 34 0.453 -6.768 0.663 1.00 62.10 H new ATOM 0 HD2 ARG A 34 0.056 -9.386 0.614 1.00 61.30 H new ATOM 0 HD3 ARG A 34 -1.504 -8.950 -0.056 1.00 61.30 H new ATOM 0 HE ARG A 34 0.547 -7.531 -1.476 1.00 33.25 H new ATOM 0 HH11 ARG A 34 -0.776 -10.772 -1.015 1.00 44.31 H new ATOM 0 HH12 ARG A 34 -0.291 -11.323 -2.622 1.00 44.31 H new ATOM 0 HH21 ARG A 34 1.165 -8.247 -3.538 1.00 44.24 H new ATOM 0 HH22 ARG A 34 0.803 -9.900 -4.044 1.00 44.24 H new TER 552 ARG A 34