USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 266 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 HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 19 SER OG : rot 60:sc= 0.277 USER MOD Set 1.2: A 24 ASN : amide:sc= 0.29 K(o=0.57,f=-0.25) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0362 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.265 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00202 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00233 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.313 -4.855 -2.413 1.00 0.00 N ATOM 2 CA GLY A 1 -27.237 -5.346 -1.019 1.00 0.00 C ATOM 3 C GLY A 1 -26.090 -4.695 -0.257 1.00 0.00 C ATOM 4 O GLY A 1 -25.067 -4.352 -0.853 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.159 -4.261 -2.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.464 -4.295 -2.630 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.369 -5.664 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.177 -5.140 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.106 -6.428 -1.020 1.00 0.00 H new ATOM 10 N SER A 2 -26.252 -4.551 1.066 1.00 0.00 N ATOM 11 CA SER A 2 -25.325 -3.877 2.004 1.00 0.00 C ATOM 12 C SER A 2 -25.088 -2.375 1.736 1.00 0.00 C ATOM 13 O SER A 2 -25.441 -1.833 0.684 1.00 0.00 O ATOM 14 CB SER A 2 -24.000 -4.649 2.132 1.00 0.00 C ATOM 15 OG SER A 2 -24.237 -5.995 2.526 1.00 0.00 O ATOM 0 H SER A 2 -27.075 -4.919 1.542 1.00 0.00 H new ATOM 0 HA SER A 2 -25.841 -3.898 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.470 -4.632 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.357 -4.159 2.863 1.00 0.00 H new ATOM 0 HG SER A 2 -23.383 -6.469 2.600 1.00 0.00 H new ATOM 21 N SER A 3 -24.512 -1.679 2.721 1.00 0.00 N ATOM 22 CA SER A 3 -24.221 -0.235 2.670 1.00 0.00 C ATOM 23 C SER A 3 -23.084 0.119 1.697 1.00 0.00 C ATOM 24 O SER A 3 -22.178 -0.685 1.458 1.00 0.00 O ATOM 25 CB SER A 3 -23.866 0.287 4.070 1.00 0.00 C ATOM 26 OG SER A 3 -24.911 0.004 4.990 1.00 0.00 O ATOM 0 H SER A 3 -24.226 -2.111 3.600 1.00 0.00 H new ATOM 0 HA SER A 3 -25.128 0.245 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.939 -0.174 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.691 1.362 4.029 1.00 0.00 H new ATOM 0 HG SER A 3 -24.667 0.342 5.877 1.00 0.00 H new ATOM 32 N GLY A 4 -23.108 1.345 1.161 1.00 0.00 N ATOM 33 CA GLY A 4 -22.030 1.906 0.335 1.00 0.00 C ATOM 34 C GLY A 4 -20.752 2.238 1.123 1.00 0.00 C ATOM 35 O GLY A 4 -20.753 2.278 2.358 1.00 0.00 O ATOM 0 H GLY A 4 -23.890 1.987 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.784 1.197 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.392 2.812 -0.151 1.00 0.00 H new ATOM 39 N SER A 5 -19.652 2.484 0.404 1.00 0.00 N ATOM 40 CA SER A 5 -18.330 2.806 0.966 1.00 0.00 C ATOM 41 C SER A 5 -17.521 3.734 0.049 1.00 0.00 C ATOM 42 O SER A 5 -17.651 3.686 -1.177 1.00 0.00 O ATOM 43 CB SER A 5 -17.551 1.507 1.216 1.00 0.00 C ATOM 44 OG SER A 5 -16.283 1.776 1.797 1.00 0.00 O ATOM 0 H SER A 5 -19.654 2.465 -0.616 1.00 0.00 H new ATOM 0 HA SER A 5 -18.487 3.336 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.126 0.856 1.874 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.418 0.972 0.276 1.00 0.00 H new ATOM 0 HG SER A 5 -15.807 0.933 1.948 1.00 0.00 H new ATOM 50 N SER A 6 -16.647 4.552 0.644 1.00 0.00 N ATOM 51 CA SER A 6 -15.637 5.369 -0.052 1.00 0.00 C ATOM 52 C SER A 6 -14.364 4.585 -0.431 1.00 0.00 C ATOM 53 O SER A 6 -13.514 5.105 -1.159 1.00 0.00 O ATOM 54 CB SER A 6 -15.288 6.591 0.806 1.00 0.00 C ATOM 55 OG SER A 6 -14.855 6.198 2.102 1.00 0.00 O ATOM 0 H SER A 6 -16.619 4.670 1.657 1.00 0.00 H new ATOM 0 HA SER A 6 -16.079 5.688 -0.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.505 7.171 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.159 7.240 0.891 1.00 0.00 H new ATOM 0 HG SER A 6 -14.637 6.995 2.629 1.00 0.00 H new ATOM 61 N GLY A 7 -14.237 3.329 0.017 1.00 0.00 N ATOM 62 CA GLY A 7 -13.108 2.438 -0.281 1.00 0.00 C ATOM 63 C GLY A 7 -11.848 2.687 0.563 1.00 0.00 C ATOM 64 O GLY A 7 -11.837 3.496 1.496 1.00 0.00 O ATOM 0 H GLY A 7 -14.938 2.892 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.429 1.407 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.849 2.543 -1.334 1.00 0.00 H new ATOM 68 N LYS A 8 -10.773 1.958 0.239 1.00 0.00 N ATOM 69 CA LYS A 8 -9.483 1.984 0.956 1.00 0.00 C ATOM 70 C LYS A 8 -8.734 3.312 0.723 1.00 0.00 C ATOM 71 O LYS A 8 -8.505 3.664 -0.439 1.00 0.00 O ATOM 72 CB LYS A 8 -8.633 0.784 0.507 1.00 0.00 C ATOM 73 CG LYS A 8 -9.168 -0.538 1.081 1.00 0.00 C ATOM 74 CD LYS A 8 -8.546 -1.740 0.360 1.00 0.00 C ATOM 75 CE LYS A 8 -9.012 -3.059 0.988 1.00 0.00 C ATOM 76 NZ LYS A 8 -8.403 -4.229 0.301 1.00 0.00 N ATOM 0 H LYS A 8 -10.772 1.314 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.673 1.911 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.624 0.731 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.601 0.929 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.945 -0.593 2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.253 -0.570 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.821 -1.718 -0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.459 -1.675 0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.745 -3.076 2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.098 -3.127 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.737 -5.107 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.678 -4.225 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.367 -4.175 0.376 1.00 0.00 H new ATOM 90 N PRO A 9 -8.326 4.048 1.778 1.00 0.00 N ATOM 91 CA PRO A 9 -7.708 5.369 1.636 1.00 0.00 C ATOM 92 C PRO A 9 -6.202 5.314 1.359 1.00 0.00 C ATOM 93 O PRO A 9 -5.688 6.153 0.617 1.00 0.00 O ATOM 94 CB PRO A 9 -7.984 6.081 2.959 1.00 0.00 C ATOM 95 CG PRO A 9 -8.037 4.945 3.977 1.00 0.00 C ATOM 96 CD PRO A 9 -8.572 3.754 3.183 1.00 0.00 C ATOM 0 HA PRO A 9 -8.127 5.888 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.199 6.798 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.922 6.635 2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.051 4.736 4.392 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.690 5.191 4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.070 2.833 3.480 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.637 3.611 3.369 1.00 0.00 H new ATOM 104 N TYR A 10 -5.485 4.351 1.947 1.00 0.00 N ATOM 105 CA TYR A 10 -4.030 4.262 1.838 1.00 0.00 C ATOM 106 C TYR A 10 -3.648 3.496 0.564 1.00 0.00 C ATOM 107 O TYR A 10 -3.935 2.303 0.460 1.00 0.00 O ATOM 108 CB TYR A 10 -3.446 3.610 3.103 1.00 0.00 C ATOM 109 CG TYR A 10 -3.872 4.275 4.398 1.00 0.00 C ATOM 110 CD1 TYR A 10 -3.321 5.516 4.770 1.00 0.00 C ATOM 111 CD2 TYR A 10 -4.857 3.673 5.203 1.00 0.00 C ATOM 112 CE1 TYR A 10 -3.761 6.161 5.942 1.00 0.00 C ATOM 113 CE2 TYR A 10 -5.289 4.306 6.382 1.00 0.00 C ATOM 114 CZ TYR A 10 -4.746 5.554 6.754 1.00 0.00 C ATOM 115 OH TYR A 10 -5.181 6.167 7.889 1.00 0.00 O ATOM 0 H TYR A 10 -5.901 3.611 2.513 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.604 5.262 1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.746 2.562 3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.358 3.629 3.039 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.560 5.974 4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.282 2.723 4.915 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.346 7.119 6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.037 3.836 7.003 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.860 5.609 8.323 1.00 0.00 H new ATOM 125 N LYS A 11 -3.012 4.166 -0.408 1.00 0.00 N ATOM 126 CA LYS A 11 -2.679 3.605 -1.733 1.00 0.00 C ATOM 127 C LYS A 11 -1.206 3.793 -2.108 1.00 0.00 C ATOM 128 O LYS A 11 -0.594 4.800 -1.745 1.00 0.00 O ATOM 129 CB LYS A 11 -3.594 4.206 -2.815 1.00 0.00 C ATOM 130 CG LYS A 11 -5.086 3.998 -2.510 1.00 0.00 C ATOM 131 CD LYS A 11 -5.957 4.326 -3.725 1.00 0.00 C ATOM 132 CE LYS A 11 -7.440 4.181 -3.362 1.00 0.00 C ATOM 133 NZ LYS A 11 -8.322 4.510 -4.513 1.00 0.00 N ATOM 0 H LYS A 11 -2.707 5.133 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.850 2.530 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.391 5.273 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.357 3.754 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.256 2.965 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.378 4.629 -1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.755 5.342 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.709 3.659 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.636 3.160 -3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.675 4.837 -2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.317 4.401 -4.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.152 5.492 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.114 3.868 -5.304 1.00 0.00 H new ATOM 147 N CYS A 12 -0.655 2.840 -2.860 1.00 0.00 N ATOM 148 CA CYS A 12 0.717 2.884 -3.364 1.00 0.00 C ATOM 149 C CYS A 12 0.882 3.960 -4.468 1.00 0.00 C ATOM 150 O CYS A 12 0.018 4.077 -5.346 1.00 0.00 O ATOM 151 CB CYS A 12 1.099 1.477 -3.834 1.00 0.00 C ATOM 152 SG CYS A 12 2.807 1.448 -4.452 1.00 0.00 S ATOM 0 H CYS A 12 -1.160 2.000 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 12 1.402 3.183 -2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.993 0.772 -3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.417 1.153 -4.620 1.00 0.00 H new ATOM 157 N PRO A 13 1.982 4.740 -4.464 1.00 0.00 N ATOM 158 CA PRO A 13 2.312 5.690 -5.526 1.00 0.00 C ATOM 159 C PRO A 13 2.835 5.015 -6.810 1.00 0.00 C ATOM 160 O PRO A 13 2.952 5.691 -7.836 1.00 0.00 O ATOM 161 CB PRO A 13 3.357 6.623 -4.900 1.00 0.00 C ATOM 162 CG PRO A 13 4.083 5.728 -3.899 1.00 0.00 C ATOM 163 CD PRO A 13 2.975 4.802 -3.405 1.00 0.00 C ATOM 0 HA PRO A 13 1.424 6.225 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.040 7.021 -5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.890 7.477 -4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.895 5.172 -4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.521 6.305 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.369 3.810 -3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.535 5.182 -2.483 1.00 0.00 H new ATOM 171 N GLN A 14 3.151 3.710 -6.778 1.00 0.00 N ATOM 172 CA GLN A 14 3.702 2.958 -7.920 1.00 0.00 C ATOM 173 C GLN A 14 2.805 1.802 -8.409 1.00 0.00 C ATOM 174 O GLN A 14 2.869 1.458 -9.594 1.00 0.00 O ATOM 175 CB GLN A 14 5.113 2.443 -7.579 1.00 0.00 C ATOM 176 CG GLN A 14 6.117 3.575 -7.297 1.00 0.00 C ATOM 177 CD GLN A 14 7.563 3.097 -7.131 1.00 0.00 C ATOM 178 OE1 GLN A 14 7.944 1.978 -7.453 1.00 0.00 O ATOM 179 NE2 GLN A 14 8.444 3.942 -6.636 1.00 0.00 N ATOM 0 H GLN A 14 3.029 3.137 -5.943 1.00 0.00 H new ATOM 0 HA GLN A 14 3.750 3.661 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.055 1.792 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.482 1.836 -8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.075 4.296 -8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.812 4.100 -6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.152 4.880 -6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.418 3.659 -6.528 1.00 0.00 H new ATOM 188 N CYS A 15 1.961 1.228 -7.540 1.00 0.00 N ATOM 189 CA CYS A 15 1.092 0.078 -7.847 1.00 0.00 C ATOM 190 C CYS A 15 -0.411 0.431 -7.793 1.00 0.00 C ATOM 191 O CYS A 15 -0.812 1.519 -7.372 1.00 0.00 O ATOM 192 CB CYS A 15 1.374 -1.084 -6.867 1.00 0.00 C ATOM 193 SG CYS A 15 3.144 -1.394 -6.568 1.00 0.00 S ATOM 0 H CYS A 15 1.860 1.557 -6.580 1.00 0.00 H new ATOM 0 HA CYS A 15 1.326 -0.222 -8.869 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.888 -0.868 -5.915 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.918 -1.993 -7.258 1.00 0.00 H new ATOM 198 N SER A 16 -1.251 -0.552 -8.137 1.00 0.00 N ATOM 199 CA SER A 16 -2.709 -0.523 -7.896 1.00 0.00 C ATOM 200 C SER A 16 -3.070 -0.965 -6.458 1.00 0.00 C ATOM 201 O SER A 16 -4.248 -1.116 -6.125 1.00 0.00 O ATOM 202 CB SER A 16 -3.445 -1.384 -8.934 1.00 0.00 C ATOM 203 OG SER A 16 -3.231 -0.890 -10.250 1.00 0.00 O ATOM 0 H SER A 16 -0.938 -1.406 -8.598 1.00 0.00 H new ATOM 0 HA SER A 16 -3.036 0.511 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.098 -2.415 -8.868 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.513 -1.392 -8.714 1.00 0.00 H new ATOM 0 HG SER A 16 -3.708 -1.455 -10.893 1.00 0.00 H new ATOM 209 N TYR A 17 -2.063 -1.193 -5.603 1.00 0.00 N ATOM 210 CA TYR A 17 -2.200 -1.612 -4.204 1.00 0.00 C ATOM 211 C TYR A 17 -2.942 -0.569 -3.354 1.00 0.00 C ATOM 212 O TYR A 17 -2.635 0.627 -3.409 1.00 0.00 O ATOM 213 CB TYR A 17 -0.805 -1.889 -3.617 1.00 0.00 C ATOM 214 CG TYR A 17 -0.786 -2.201 -2.130 1.00 0.00 C ATOM 215 CD1 TYR A 17 -0.731 -1.154 -1.185 1.00 0.00 C ATOM 216 CD2 TYR A 17 -0.843 -3.538 -1.691 1.00 0.00 C ATOM 217 CE1 TYR A 17 -0.752 -1.442 0.191 1.00 0.00 C ATOM 218 CE2 TYR A 17 -0.841 -3.830 -0.313 1.00 0.00 C ATOM 219 CZ TYR A 17 -0.797 -2.780 0.630 1.00 0.00 C ATOM 220 OH TYR A 17 -0.799 -3.045 1.961 1.00 0.00 O ATOM 0 H TYR A 17 -1.088 -1.085 -5.882 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.800 -2.522 -4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.361 -2.727 -4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.171 -1.021 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.673 -0.129 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.888 -4.341 -2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.734 -0.638 0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.873 -4.856 0.022 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.833 -4.014 2.102 1.00 0.00 H new ATOM 230 N ALA A 18 -3.871 -1.042 -2.520 1.00 0.00 N ATOM 231 CA ALA A 18 -4.544 -0.256 -1.490 1.00 0.00 C ATOM 232 C ALA A 18 -4.770 -1.070 -0.200 1.00 0.00 C ATOM 233 O ALA A 18 -4.962 -2.290 -0.253 1.00 0.00 O ATOM 234 CB ALA A 18 -5.863 0.279 -2.061 1.00 0.00 C ATOM 0 H ALA A 18 -4.183 -2.013 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.907 0.582 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.376 0.868 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.656 0.906 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.496 -0.557 -2.360 1.00 0.00 H new ATOM 240 N SER A 19 -4.805 -0.394 0.952 1.00 0.00 N ATOM 241 CA SER A 19 -5.176 -0.970 2.254 1.00 0.00 C ATOM 242 C SER A 19 -6.003 -0.006 3.118 1.00 0.00 C ATOM 243 O SER A 19 -5.988 1.211 2.921 1.00 0.00 O ATOM 244 CB SER A 19 -3.924 -1.435 3.011 1.00 0.00 C ATOM 245 OG SER A 19 -4.300 -2.248 4.117 1.00 0.00 O ATOM 0 H SER A 19 -4.570 0.597 1.009 1.00 0.00 H new ATOM 0 HA SER A 19 -5.812 -1.831 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.271 -1.996 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.357 -0.571 3.359 1.00 0.00 H new ATOM 0 HG SER A 19 -4.793 -3.031 3.795 1.00 0.00 H new ATOM 251 N ALA A 20 -6.712 -0.555 4.106 1.00 0.00 N ATOM 252 CA ALA A 20 -7.393 0.192 5.166 1.00 0.00 C ATOM 253 C ALA A 20 -6.454 0.576 6.336 1.00 0.00 C ATOM 254 O ALA A 20 -6.886 1.263 7.264 1.00 0.00 O ATOM 255 CB ALA A 20 -8.593 -0.642 5.633 1.00 0.00 C ATOM 0 H ALA A 20 -6.832 -1.564 4.194 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.736 1.147 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.121 -0.109 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.269 -0.808 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.243 -1.602 6.013 1.00 0.00 H new ATOM 261 N ILE A 21 -5.183 0.144 6.304 1.00 0.00 N ATOM 262 CA ILE A 21 -4.190 0.342 7.372 1.00 0.00 C ATOM 263 C ILE A 21 -2.922 1.007 6.806 1.00 0.00 C ATOM 264 O ILE A 21 -2.295 0.482 5.881 1.00 0.00 O ATOM 265 CB ILE A 21 -3.878 -1.009 8.070 1.00 0.00 C ATOM 266 CG1 ILE A 21 -5.164 -1.697 8.594 1.00 0.00 C ATOM 267 CG2 ILE A 21 -2.879 -0.799 9.225 1.00 0.00 C ATOM 268 CD1 ILE A 21 -4.935 -3.072 9.238 1.00 0.00 C ATOM 0 H ILE A 21 -4.806 -0.370 5.508 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.600 1.013 8.126 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.431 -1.667 7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.639 -1.042 9.325 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.863 -1.810 7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.671 -1.756 9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.952 -0.380 8.833 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.307 -0.113 9.956 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.888 -3.479 9.576 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.491 -3.747 8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.263 -2.967 10.090 1.00 0.00 H new ATOM 280 N LYS A 22 -2.499 2.132 7.400 1.00 0.00 N ATOM 281 CA LYS A 22 -1.312 2.906 6.977 1.00 0.00 C ATOM 282 C LYS A 22 -0.004 2.121 7.128 1.00 0.00 C ATOM 283 O LYS A 22 0.858 2.176 6.254 1.00 0.00 O ATOM 284 CB LYS A 22 -1.270 4.222 7.774 1.00 0.00 C ATOM 285 CG LYS A 22 -0.257 5.223 7.195 1.00 0.00 C ATOM 286 CD LYS A 22 -0.283 6.545 7.973 1.00 0.00 C ATOM 287 CE LYS A 22 0.729 7.530 7.375 1.00 0.00 C ATOM 288 NZ LYS A 22 0.741 8.820 8.114 1.00 0.00 N ATOM 0 H LYS A 22 -2.977 2.541 8.203 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.404 3.119 5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.262 4.674 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.013 4.008 8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.745 4.795 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.485 5.410 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.284 6.975 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.049 6.363 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.725 7.088 7.398 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.485 7.712 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.437 9.461 7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.203 9.254 8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.998 8.649 9.107 1.00 0.00 H new ATOM 302 N ALA A 23 0.126 1.338 8.199 1.00 0.00 N ATOM 303 CA ALA A 23 1.283 0.473 8.448 1.00 0.00 C ATOM 304 C ALA A 23 1.451 -0.630 7.385 1.00 0.00 C ATOM 305 O ALA A 23 2.576 -0.991 7.038 1.00 0.00 O ATOM 306 CB ALA A 23 1.124 -0.137 9.842 1.00 0.00 C ATOM 0 H ALA A 23 -0.581 1.285 8.932 1.00 0.00 H new ATOM 0 HA ALA A 23 2.188 1.078 8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.973 -0.787 10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.082 0.659 10.585 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.203 -0.719 9.882 1.00 0.00 H new ATOM 312 N ASN A 24 0.349 -1.133 6.819 1.00 0.00 N ATOM 313 CA ASN A 24 0.385 -2.140 5.756 1.00 0.00 C ATOM 314 C ASN A 24 0.938 -1.535 4.449 1.00 0.00 C ATOM 315 O ASN A 24 1.812 -2.126 3.810 1.00 0.00 O ATOM 316 CB ASN A 24 -1.032 -2.721 5.607 1.00 0.00 C ATOM 317 CG ASN A 24 -1.083 -4.071 4.911 1.00 0.00 C ATOM 318 OD1 ASN A 24 -0.104 -4.789 4.764 1.00 0.00 O ATOM 319 ND2 ASN A 24 -2.263 -4.479 4.506 1.00 0.00 N ATOM 0 H ASN A 24 -0.594 -0.852 7.086 1.00 0.00 H new ATOM 0 HA ASN A 24 1.065 -2.953 6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.478 -2.818 6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.645 -2.014 5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.363 -5.395 4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.079 -3.880 4.629 1.00 0.00 H new ATOM 326 N LEU A 25 0.533 -0.298 4.122 1.00 0.00 N ATOM 327 CA LEU A 25 1.135 0.483 3.039 1.00 0.00 C ATOM 328 C LEU A 25 2.613 0.803 3.323 1.00 0.00 C ATOM 329 O LEU A 25 3.429 0.716 2.412 1.00 0.00 O ATOM 330 CB LEU A 25 0.312 1.763 2.797 1.00 0.00 C ATOM 331 CG LEU A 25 0.923 2.680 1.717 1.00 0.00 C ATOM 332 CD1 LEU A 25 0.999 1.987 0.357 1.00 0.00 C ATOM 333 CD2 LEU A 25 0.093 3.950 1.562 1.00 0.00 C ATOM 0 H LEU A 25 -0.224 0.187 4.605 1.00 0.00 H new ATOM 0 HA LEU A 25 1.117 -0.117 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.700 1.487 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.230 2.317 3.732 1.00 0.00 H new ATOM 0 HG LEU A 25 1.933 2.924 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.435 2.668 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.620 1.095 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.004 1.704 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.539 4.585 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.923 3.687 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.070 4.487 2.510 1.00 0.00 H new ATOM 345 N ASN A 26 2.988 1.121 4.566 1.00 0.00 N ATOM 346 CA ASN A 26 4.387 1.365 4.929 1.00 0.00 C ATOM 347 C ASN A 26 5.264 0.129 4.641 1.00 0.00 C ATOM 348 O ASN A 26 6.283 0.245 3.964 1.00 0.00 O ATOM 349 CB ASN A 26 4.456 1.826 6.397 1.00 0.00 C ATOM 350 CG ASN A 26 5.833 2.319 6.830 1.00 0.00 C ATOM 351 OD1 ASN A 26 6.726 2.582 6.039 1.00 0.00 O ATOM 352 ND2 ASN A 26 6.045 2.475 8.117 1.00 0.00 N ATOM 0 H ASN A 26 2.335 1.216 5.344 1.00 0.00 H new ATOM 0 HA ASN A 26 4.795 2.164 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.731 2.625 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.159 0.998 7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.949 2.813 8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.306 2.258 8.786 1.00 0.00 H new ATOM 359 N VAL A 27 4.835 -1.075 5.038 1.00 0.00 N ATOM 360 CA VAL A 27 5.534 -2.334 4.701 1.00 0.00 C ATOM 361 C VAL A 27 5.569 -2.583 3.188 1.00 0.00 C ATOM 362 O VAL A 27 6.595 -3.022 2.668 1.00 0.00 O ATOM 363 CB VAL A 27 4.886 -3.528 5.430 1.00 0.00 C ATOM 364 CG1 VAL A 27 5.461 -4.887 5.008 1.00 0.00 C ATOM 365 CG2 VAL A 27 5.102 -3.404 6.941 1.00 0.00 C ATOM 0 H VAL A 27 3.995 -1.210 5.601 1.00 0.00 H new ATOM 0 HA VAL A 27 6.565 -2.233 5.040 1.00 0.00 H new ATOM 0 HB VAL A 27 3.830 -3.494 5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.959 -5.682 5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.304 -5.033 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.529 -4.913 5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.640 -4.253 7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.171 -3.392 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.649 -2.479 7.299 1.00 0.00 H new ATOM 375 N HIS A 28 4.500 -2.252 2.458 1.00 0.00 N ATOM 376 CA HIS A 28 4.494 -2.346 0.997 1.00 0.00 C ATOM 377 C HIS A 28 5.512 -1.381 0.351 1.00 0.00 C ATOM 378 O HIS A 28 6.234 -1.755 -0.574 1.00 0.00 O ATOM 379 CB HIS A 28 3.066 -2.109 0.480 1.00 0.00 C ATOM 380 CG HIS A 28 2.964 -2.168 -1.023 1.00 0.00 C ATOM 381 ND1 HIS A 28 2.738 -3.288 -1.785 1.00 0.00 N ATOM 382 CD2 HIS A 28 3.143 -1.123 -1.885 1.00 0.00 C ATOM 383 CE1 HIS A 28 2.788 -2.937 -3.079 1.00 0.00 C ATOM 384 NE2 HIS A 28 3.062 -1.616 -3.204 1.00 0.00 N ATOM 0 H HIS A 28 3.624 -1.915 2.858 1.00 0.00 H new ATOM 0 HA HIS A 28 4.810 -3.348 0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.401 -2.856 0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.718 -1.135 0.824 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.562 -4.227 -1.428 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.317 -0.095 -1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.632 -3.614 -3.906 1.00 0.00 H new ATOM 392 N LEU A 29 5.627 -0.151 0.863 1.00 0.00 N ATOM 393 CA LEU A 29 6.607 0.846 0.409 1.00 0.00 C ATOM 394 C LEU A 29 8.037 0.511 0.797 1.00 0.00 C ATOM 395 O LEU A 29 8.948 0.896 0.069 1.00 0.00 O ATOM 396 CB LEU A 29 6.311 2.214 1.009 1.00 0.00 C ATOM 397 CG LEU A 29 5.045 2.857 0.458 1.00 0.00 C ATOM 398 CD1 LEU A 29 4.657 3.924 1.474 1.00 0.00 C ATOM 399 CD2 LEU A 29 5.239 3.514 -0.909 1.00 0.00 C ATOM 0 H LEU A 29 5.031 0.187 1.619 1.00 0.00 H new ATOM 0 HA LEU A 29 6.516 0.847 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.218 2.115 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.157 2.875 0.821 1.00 0.00 H new ATOM 0 HG LEU A 29 4.284 2.091 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.751 4.430 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.478 3.456 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.465 4.650 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.297 3.951 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.995 4.296 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.564 2.764 -1.630 1.00 0.00 H new ATOM 411 N ARG A 30 8.261 -0.225 1.892 1.00 0.00 N ATOM 412 CA ARG A 30 9.618 -0.643 2.274 1.00 0.00 C ATOM 413 C ARG A 30 10.288 -1.486 1.173 1.00 0.00 C ATOM 414 O ARG A 30 11.514 -1.499 1.059 1.00 0.00 O ATOM 415 CB ARG A 30 9.613 -1.395 3.619 1.00 0.00 C ATOM 416 CG ARG A 30 9.477 -0.447 4.821 1.00 0.00 C ATOM 417 CD ARG A 30 9.336 -1.194 6.154 1.00 0.00 C ATOM 418 NE ARG A 30 10.535 -1.992 6.490 1.00 0.00 N ATOM 419 CZ ARG A 30 11.645 -1.567 7.071 1.00 0.00 C ATOM 420 NH1 ARG A 30 11.819 -0.325 7.424 1.00 0.00 N ATOM 421 NH2 ARG A 30 12.619 -2.398 7.311 1.00 0.00 N ATOM 0 H ARG A 30 7.527 -0.542 2.526 1.00 0.00 H new ATOM 0 HA ARG A 30 10.211 0.264 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.790 -2.110 3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.535 -1.968 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.350 0.204 4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.608 0.195 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.148 -0.475 6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.468 -1.852 6.107 1.00 0.00 H new ATOM 0 HE ARG A 30 10.502 -2.982 6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.084 0.361 7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.691 -0.039 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.527 -3.380 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.473 -2.067 7.759 1.00 0.00 H new ATOM 435 N LYS A 31 9.480 -2.134 0.318 1.00 0.00 N ATOM 436 CA LYS A 31 9.914 -2.862 -0.888 1.00 0.00 C ATOM 437 C LYS A 31 10.249 -1.924 -2.058 1.00 0.00 C ATOM 438 O LYS A 31 11.095 -2.268 -2.882 1.00 0.00 O ATOM 439 CB LYS A 31 8.840 -3.885 -1.305 1.00 0.00 C ATOM 440 CG LYS A 31 8.484 -4.881 -0.188 1.00 0.00 C ATOM 441 CD LYS A 31 7.420 -5.882 -0.654 1.00 0.00 C ATOM 442 CE LYS A 31 7.095 -6.861 0.483 1.00 0.00 C ATOM 443 NZ LYS A 31 6.101 -7.882 0.062 1.00 0.00 N ATOM 0 H LYS A 31 8.469 -2.167 0.452 1.00 0.00 H new ATOM 0 HA LYS A 31 10.835 -3.386 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.939 -3.352 -1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.192 -4.437 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.380 -5.418 0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.119 -4.338 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.518 -5.352 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.779 -6.429 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.010 -7.356 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.709 -6.309 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.907 -8.525 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.220 -7.411 -0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.480 -8.426 -0.739 1.00 0.00 H new ATOM 457 N HIS A 32 9.631 -0.737 -2.122 1.00 0.00 N ATOM 458 CA HIS A 32 9.962 0.308 -3.099 1.00 0.00 C ATOM 459 C HIS A 32 11.174 1.170 -2.691 1.00 0.00 C ATOM 460 O HIS A 32 11.938 1.593 -3.561 1.00 0.00 O ATOM 461 CB HIS A 32 8.721 1.182 -3.329 1.00 0.00 C ATOM 462 CG HIS A 32 7.595 0.453 -4.016 1.00 0.00 C ATOM 463 ND1 HIS A 32 7.676 -0.217 -5.213 1.00 0.00 N ATOM 464 CD2 HIS A 32 6.298 0.358 -3.588 1.00 0.00 C ATOM 465 CE1 HIS A 32 6.468 -0.715 -5.506 1.00 0.00 C ATOM 466 NE2 HIS A 32 5.573 -0.384 -4.543 1.00 0.00 N ATOM 0 H HIS A 32 8.877 -0.472 -1.488 1.00 0.00 H new ATOM 0 HA HIS A 32 10.256 -0.186 -4.025 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.368 1.559 -2.369 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.002 2.049 -3.928 1.00 0.00 H new ATOM 0 HD1 HIS A 32 8.516 -0.318 -5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.899 0.779 -2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.239 -1.298 -6.386 1.00 0.00 H new ATOM 474 N THR A 33 11.378 1.427 -1.392 1.00 0.00 N ATOM 475 CA THR A 33 12.500 2.241 -0.878 1.00 0.00 C ATOM 476 C THR A 33 13.793 1.442 -0.675 1.00 0.00 C ATOM 477 O THR A 33 14.884 2.005 -0.799 1.00 0.00 O ATOM 478 CB THR A 33 12.132 2.961 0.428 1.00 0.00 C ATOM 479 OG1 THR A 33 11.772 2.033 1.427 1.00 0.00 O ATOM 480 CG2 THR A 33 10.967 3.935 0.248 1.00 0.00 C ATOM 0 H THR A 33 10.765 1.074 -0.657 1.00 0.00 H new ATOM 0 HA THR A 33 12.690 2.980 -1.656 1.00 0.00 H new ATOM 0 HB THR A 33 13.020 3.520 0.724 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.543 2.512 2.251 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.746 4.418 1.200 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.236 4.692 -0.489 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.087 3.391 -0.095 1.00 0.00 H new ATOM 488 N GLY A 34 13.700 0.133 -0.408 1.00 0.00 N ATOM 489 CA GLY A 34 14.847 -0.782 -0.349 1.00 0.00 C ATOM 490 C GLY A 34 15.506 -1.015 -1.719 1.00 0.00 C ATOM 491 O GLY A 34 14.842 -0.981 -2.759 1.00 0.00 O ATOM 0 H GLY A 34 12.809 -0.328 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.589 -0.380 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.520 -1.739 0.057 1.00 0.00 H new ATOM 495 N GLU A 35 16.818 -1.259 -1.725 1.00 0.00 N ATOM 496 CA GLU A 35 17.631 -1.488 -2.933 1.00 0.00 C ATOM 497 C GLU A 35 18.816 -2.446 -2.681 1.00 0.00 C ATOM 498 O GLU A 35 19.210 -2.678 -1.532 1.00 0.00 O ATOM 499 CB GLU A 35 18.112 -0.143 -3.514 1.00 0.00 C ATOM 500 CG GLU A 35 19.056 0.648 -2.594 1.00 0.00 C ATOM 501 CD GLU A 35 19.494 1.968 -3.260 1.00 0.00 C ATOM 502 OE1 GLU A 35 20.499 1.970 -4.012 1.00 0.00 O ATOM 503 OE2 GLU A 35 18.845 3.019 -3.030 1.00 0.00 O ATOM 0 H GLU A 35 17.366 -1.305 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 35 16.993 -1.981 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.620 -0.331 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 35 17.242 0.474 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.556 0.861 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 35 19.933 0.045 -2.361 1.00 0.00 H new ATOM 510 N LYS A 36 19.386 -2.995 -3.765 1.00 0.00 N ATOM 511 CA LYS A 36 20.561 -3.890 -3.776 1.00 0.00 C ATOM 512 C LYS A 36 21.565 -3.491 -4.868 1.00 0.00 C ATOM 513 O LYS A 36 22.777 -3.429 -4.564 1.00 0.00 O ATOM 514 CB LYS A 36 20.122 -5.358 -3.950 1.00 0.00 C ATOM 515 CG LYS A 36 19.355 -5.909 -2.737 1.00 0.00 C ATOM 516 CD LYS A 36 19.035 -7.401 -2.925 1.00 0.00 C ATOM 517 CE LYS A 36 18.366 -8.022 -1.688 1.00 0.00 C ATOM 518 NZ LYS A 36 16.991 -7.501 -1.459 1.00 0.00 N ATOM 519 OXT LYS A 36 21.138 -3.239 -6.019 1.00 0.00 O ATOM 0 H LYS A 36 19.026 -2.821 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 36 21.064 -3.788 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.493 -5.440 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 36 21.003 -5.975 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 36 19.948 -5.771 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.430 -5.348 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.380 -7.522 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.956 -7.941 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.325 -9.105 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.978 -7.821 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.585 -7.951 -0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.029 -6.471 -1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.396 -7.716 -2.285 1.00 0.00 H new TER 533 LYS A 36 HETATM 534 ZN ZN A 101 3.681 -0.529 -4.651 1.00 0.00 ZN