USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 313 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 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 93:sc= 0.282 USER MOD Single : A 3 SER OG : rot 54:sc= 0.508 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= -0.0536 (180deg=-0.0536) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.7) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.341 F(o=-1.8,f=-0.34) USER MOD Single : A 36 THR OG1 : rot -57:sc= 0.906 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.420 -4.116 -0.019 1.00 0.00 N ATOM 2 CA GLY A 1 -27.499 -4.074 1.429 1.00 0.00 C ATOM 3 C GLY A 1 -27.887 -2.704 1.949 1.00 0.00 C ATOM 4 O GLY A 1 -29.070 -2.407 2.113 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.152 -5.073 -0.324 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.346 -3.870 -0.424 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.706 -3.435 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.228 -4.809 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.535 -4.360 1.851 1.00 0.00 H new ATOM 8 N SER A 2 -26.888 -1.866 2.210 1.00 0.00 N ATOM 9 CA SER A 2 -27.131 -0.522 2.719 1.00 0.00 C ATOM 10 C SER A 2 -28.215 0.180 1.907 1.00 0.00 C ATOM 11 O SER A 2 -28.257 0.069 0.681 1.00 0.00 O ATOM 12 CB SER A 2 -25.840 0.300 2.686 1.00 0.00 C ATOM 13 OG SER A 2 -25.468 0.610 1.355 1.00 0.00 O ATOM 0 H SER A 2 -25.903 -2.095 2.077 1.00 0.00 H new ATOM 0 HA SER A 2 -27.473 -0.608 3.750 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.977 1.221 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.038 -0.257 3.171 1.00 0.00 H new ATOM 0 HG SER A 2 -25.840 1.482 1.106 1.00 0.00 H new ATOM 19 N SER A 3 -29.090 0.902 2.599 1.00 0.00 N ATOM 20 CA SER A 3 -30.177 1.619 1.943 1.00 0.00 C ATOM 21 C SER A 3 -29.643 2.807 1.149 1.00 0.00 C ATOM 22 O SER A 3 -29.696 3.948 1.606 1.00 0.00 O ATOM 23 CB SER A 3 -31.197 2.099 2.978 1.00 0.00 C ATOM 24 OG SER A 3 -30.576 2.893 3.974 1.00 0.00 O ATOM 0 H SER A 3 -29.068 1.006 3.613 1.00 0.00 H new ATOM 0 HA SER A 3 -30.667 0.933 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.978 2.676 2.483 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.681 1.240 3.442 1.00 0.00 H new ATOM 0 HG SER A 3 -30.084 3.626 3.548 1.00 0.00 H new ATOM 30 N GLY A 4 -29.128 2.530 -0.045 1.00 0.00 N ATOM 31 CA GLY A 4 -28.592 3.585 -0.885 1.00 0.00 C ATOM 32 C GLY A 4 -27.078 3.646 -0.842 1.00 0.00 C ATOM 33 O GLY A 4 -26.462 3.253 0.148 1.00 0.00 O ATOM 0 H GLY A 4 -29.072 1.594 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.917 3.427 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.001 4.543 -0.565 1.00 0.00 H new ATOM 37 N SER A 5 -26.476 4.140 -1.920 1.00 0.00 N ATOM 38 CA SER A 5 -25.024 4.246 -2.004 1.00 0.00 C ATOM 39 C SER A 5 -24.607 5.638 -2.467 1.00 0.00 C ATOM 40 O SER A 5 -24.458 5.888 -3.662 1.00 0.00 O ATOM 41 CB SER A 5 -24.469 3.190 -2.962 1.00 0.00 C ATOM 42 OG SER A 5 -23.055 3.135 -2.896 1.00 0.00 O ATOM 0 H SER A 5 -26.972 4.473 -2.747 1.00 0.00 H new ATOM 0 HA SER A 5 -24.614 4.075 -1.009 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.886 2.214 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.780 3.420 -3.981 1.00 0.00 H new ATOM 0 HG SER A 5 -22.725 2.452 -3.516 1.00 0.00 H new ATOM 48 N SER A 6 -24.421 6.542 -1.510 1.00 0.00 N ATOM 49 CA SER A 6 -24.025 7.911 -1.817 1.00 0.00 C ATOM 50 C SER A 6 -22.506 8.039 -1.866 1.00 0.00 C ATOM 51 O SER A 6 -21.949 8.606 -2.805 1.00 0.00 O ATOM 52 CB SER A 6 -24.597 8.876 -0.777 1.00 0.00 C ATOM 53 OG SER A 6 -24.540 10.215 -1.237 1.00 0.00 O ATOM 0 H SER A 6 -24.538 6.350 -0.515 1.00 0.00 H new ATOM 0 HA SER A 6 -24.425 8.167 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.630 8.608 -0.557 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.039 8.784 0.155 1.00 0.00 H new ATOM 0 HG SER A 6 -24.913 10.811 -0.555 1.00 0.00 H new ATOM 59 N GLY A 7 -21.840 7.507 -0.845 1.00 0.00 N ATOM 60 CA GLY A 7 -20.391 7.572 -0.790 1.00 0.00 C ATOM 61 C GLY A 7 -19.731 6.645 -1.791 1.00 0.00 C ATOM 62 O GLY A 7 -19.641 5.438 -1.566 1.00 0.00 O ATOM 0 H GLY A 7 -22.278 7.032 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.069 8.596 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.057 7.314 0.215 1.00 0.00 H new ATOM 66 N THR A 8 -19.268 7.210 -2.902 1.00 0.00 N ATOM 67 CA THR A 8 -18.615 6.426 -3.943 1.00 0.00 C ATOM 68 C THR A 8 -17.283 7.049 -4.346 1.00 0.00 C ATOM 69 O THR A 8 -17.229 7.908 -5.225 1.00 0.00 O ATOM 70 CB THR A 8 -19.507 6.296 -5.192 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.813 5.845 -4.816 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.899 5.326 -6.193 1.00 0.00 C ATOM 0 H THR A 8 -19.333 8.208 -3.104 1.00 0.00 H new ATOM 0 HA THR A 8 -18.438 5.434 -3.528 1.00 0.00 H new ATOM 0 HB THR A 8 -19.583 7.277 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 8 -21.375 5.767 -5.615 1.00 0.00 H new ATOM 0 HG21 THR A 8 -19.547 5.251 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.917 5.687 -6.499 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.797 4.344 -5.732 1.00 0.00 H new ATOM 80 N GLY A 9 -16.209 6.608 -3.699 1.00 0.00 N ATOM 81 CA GLY A 9 -14.891 7.133 -4.005 1.00 0.00 C ATOM 82 C GLY A 9 -14.861 8.649 -4.025 1.00 0.00 C ATOM 83 O GLY A 9 -14.821 9.260 -5.093 1.00 0.00 O ATOM 0 H GLY A 9 -16.228 5.897 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.177 6.768 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.568 6.753 -4.974 1.00 0.00 H new ATOM 87 N GLU A 10 -14.882 9.256 -2.843 1.00 0.00 N ATOM 88 CA GLU A 10 -14.860 10.709 -2.731 1.00 0.00 C ATOM 89 C GLU A 10 -13.439 11.245 -2.884 1.00 0.00 C ATOM 90 O GLU A 10 -13.169 12.412 -2.598 1.00 0.00 O ATOM 91 CB GLU A 10 -15.440 11.148 -1.385 1.00 0.00 C ATOM 92 CG GLU A 10 -14.710 10.562 -0.188 1.00 0.00 C ATOM 93 CD GLU A 10 -15.618 10.369 1.012 1.00 0.00 C ATOM 94 OE1 GLU A 10 -16.853 10.413 0.834 1.00 0.00 O ATOM 95 OE2 GLU A 10 -15.093 10.173 2.127 1.00 0.00 O ATOM 0 H GLU A 10 -14.914 8.764 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.473 11.119 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.408 12.236 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.489 10.857 -1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.274 9.603 -0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.885 11.219 0.087 1.00 0.00 H new ATOM 102 N LYS A 11 -12.534 10.384 -3.337 1.00 0.00 N ATOM 103 CA LYS A 11 -11.141 10.769 -3.529 1.00 0.00 C ATOM 104 C LYS A 11 -10.566 10.120 -4.785 1.00 0.00 C ATOM 105 O LYS A 11 -10.887 8.982 -5.127 1.00 0.00 O ATOM 106 CB LYS A 11 -10.307 10.370 -2.309 1.00 0.00 C ATOM 107 CG LYS A 11 -10.233 11.451 -1.245 1.00 0.00 C ATOM 108 CD LYS A 11 -11.407 11.370 -0.284 1.00 0.00 C ATOM 109 CE LYS A 11 -11.029 11.867 1.103 1.00 0.00 C ATOM 110 NZ LYS A 11 -12.225 12.057 1.969 1.00 0.00 N ATOM 0 H LYS A 11 -12.741 9.415 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.102 11.852 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.730 9.467 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.297 10.122 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.300 11.353 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.219 12.431 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.236 11.963 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.755 10.339 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.351 11.154 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.490 12.810 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.925 12.396 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.861 12.756 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.726 11.151 2.073 1.00 0.00 H new ATOM 124 N PRO A 12 -9.695 10.859 -5.487 1.00 0.00 N ATOM 125 CA PRO A 12 -9.055 10.375 -6.714 1.00 0.00 C ATOM 126 C PRO A 12 -8.046 9.265 -6.443 1.00 0.00 C ATOM 127 O PRO A 12 -7.764 8.442 -7.314 1.00 0.00 O ATOM 128 CB PRO A 12 -8.349 11.618 -7.261 1.00 0.00 C ATOM 129 CG PRO A 12 -8.109 12.473 -6.065 1.00 0.00 C ATOM 130 CD PRO A 12 -9.266 12.224 -5.138 1.00 0.00 C ATOM 0 HA PRO A 12 -9.777 9.940 -7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.413 11.357 -7.755 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.966 12.132 -7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.164 12.218 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.051 13.525 -6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.966 12.296 -4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.066 12.948 -5.291 1.00 0.00 H new ATOM 138 N TYR A 13 -7.504 9.248 -5.230 1.00 0.00 N ATOM 139 CA TYR A 13 -6.524 8.240 -4.845 1.00 0.00 C ATOM 140 C TYR A 13 -7.212 6.985 -4.315 1.00 0.00 C ATOM 141 O TYR A 13 -7.768 6.984 -3.217 1.00 0.00 O ATOM 142 CB TYR A 13 -5.574 8.800 -3.785 1.00 0.00 C ATOM 143 CG TYR A 13 -5.092 10.201 -4.084 1.00 0.00 C ATOM 144 CD1 TYR A 13 -5.847 11.310 -3.722 1.00 0.00 C ATOM 145 CD2 TYR A 13 -3.879 10.417 -4.728 1.00 0.00 C ATOM 146 CE1 TYR A 13 -5.410 12.592 -3.994 1.00 0.00 C ATOM 147 CE2 TYR A 13 -3.434 11.695 -5.003 1.00 0.00 C ATOM 148 CZ TYR A 13 -4.203 12.779 -4.635 1.00 0.00 C ATOM 149 OH TYR A 13 -3.764 14.055 -4.906 1.00 0.00 O ATOM 0 H TYR A 13 -7.727 9.921 -4.497 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.950 7.971 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.079 8.797 -2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.712 8.139 -3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.792 11.167 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.274 9.571 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.010 13.443 -3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.489 11.845 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.896 14.013 -5.360 1.00 0.00 H new ATOM 159 N LYS A 14 -7.170 5.917 -5.105 1.00 0.00 N ATOM 160 CA LYS A 14 -7.786 4.654 -4.718 1.00 0.00 C ATOM 161 C LYS A 14 -6.865 3.480 -5.032 1.00 0.00 C ATOM 162 O LYS A 14 -6.373 3.346 -6.153 1.00 0.00 O ATOM 163 CB LYS A 14 -9.124 4.474 -5.439 1.00 0.00 C ATOM 164 CG LYS A 14 -9.580 3.027 -5.521 1.00 0.00 C ATOM 165 CD LYS A 14 -10.921 2.905 -6.226 1.00 0.00 C ATOM 166 CE LYS A 14 -11.324 1.450 -6.408 1.00 0.00 C ATOM 167 NZ LYS A 14 -12.481 1.306 -7.334 1.00 0.00 N ATOM 0 H LYS A 14 -6.715 5.902 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.960 4.678 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.887 5.058 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.041 4.878 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.833 2.439 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.657 2.611 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.685 3.426 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.868 3.393 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.477 0.884 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.579 1.020 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.725 0.300 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.298 1.825 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.230 1.693 -8.266 1.00 0.00 H new ATOM 181 N CYS A 15 -6.636 2.630 -4.036 1.00 0.00 N ATOM 182 CA CYS A 15 -5.775 1.466 -4.206 1.00 0.00 C ATOM 183 C CYS A 15 -6.416 0.448 -5.145 1.00 0.00 C ATOM 184 O CYS A 15 -7.540 0.003 -4.920 1.00 0.00 O ATOM 185 CB CYS A 15 -5.487 0.816 -2.852 1.00 0.00 C ATOM 186 SG CYS A 15 -4.211 -0.483 -2.906 1.00 0.00 S ATOM 0 H CYS A 15 -7.035 2.726 -3.102 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.836 1.801 -4.647 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.174 1.589 -2.150 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.411 0.387 -2.463 1.00 0.00 H new ATOM 191 N ASN A 16 -5.690 0.084 -6.198 1.00 0.00 N ATOM 192 CA ASN A 16 -6.188 -0.882 -7.171 1.00 0.00 C ATOM 193 C ASN A 16 -5.781 -2.301 -6.787 1.00 0.00 C ATOM 194 O ASN A 16 -5.855 -3.220 -7.601 1.00 0.00 O ATOM 195 CB ASN A 16 -5.659 -0.548 -8.568 1.00 0.00 C ATOM 196 CG ASN A 16 -6.597 -1.009 -9.667 1.00 0.00 C ATOM 197 OD1 ASN A 16 -6.438 -2.099 -10.217 1.00 0.00 O ATOM 198 ND2 ASN A 16 -7.580 -0.178 -9.992 1.00 0.00 N ATOM 0 H ASN A 16 -4.757 0.443 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.276 -0.825 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.510 0.529 -8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.684 -1.016 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.242 -0.433 -10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.673 0.716 -9.509 1.00 0.00 H new ATOM 205 N GLU A 17 -5.351 -2.470 -5.540 1.00 0.00 N ATOM 206 CA GLU A 17 -4.932 -3.778 -5.048 1.00 0.00 C ATOM 207 C GLU A 17 -6.019 -4.407 -4.182 1.00 0.00 C ATOM 208 O GLU A 17 -6.388 -5.566 -4.372 1.00 0.00 O ATOM 209 CB GLU A 17 -3.634 -3.654 -4.247 1.00 0.00 C ATOM 210 CG GLU A 17 -2.598 -2.757 -4.903 1.00 0.00 C ATOM 211 CD GLU A 17 -2.213 -3.229 -6.292 1.00 0.00 C ATOM 212 OE1 GLU A 17 -3.077 -3.190 -7.193 1.00 0.00 O ATOM 213 OE2 GLU A 17 -1.047 -3.636 -6.477 1.00 0.00 O ATOM 0 H GLU A 17 -5.284 -1.719 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.759 -4.424 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.865 -3.264 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.207 -4.647 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.989 -1.741 -4.964 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.707 -2.719 -4.276 1.00 0.00 H new ATOM 220 N CYS A 18 -6.529 -3.634 -3.228 1.00 0.00 N ATOM 221 CA CYS A 18 -7.573 -4.114 -2.331 1.00 0.00 C ATOM 222 C CYS A 18 -8.884 -3.374 -2.577 1.00 0.00 C ATOM 223 O CYS A 18 -9.956 -3.978 -2.599 1.00 0.00 O ATOM 224 CB CYS A 18 -7.141 -3.939 -0.873 1.00 0.00 C ATOM 225 SG CYS A 18 -6.702 -2.228 -0.428 1.00 0.00 S ATOM 0 H CYS A 18 -6.236 -2.672 -3.057 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.732 -5.174 -2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.948 -4.276 -0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.285 -4.585 -0.679 1.00 0.00 H new ATOM 230 N GLY A 19 -8.790 -2.060 -2.762 1.00 0.00 N ATOM 231 CA GLY A 19 -9.976 -1.259 -3.004 1.00 0.00 C ATOM 232 C GLY A 19 -10.163 -0.172 -1.964 1.00 0.00 C ATOM 233 O GLY A 19 -11.291 0.176 -1.615 1.00 0.00 O ATOM 0 H GLY A 19 -7.915 -1.537 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.908 -0.804 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.853 -1.906 -3.010 1.00 0.00 H new ATOM 237 N LYS A 20 -9.055 0.365 -1.465 1.00 0.00 N ATOM 238 CA LYS A 20 -9.100 1.419 -0.458 1.00 0.00 C ATOM 239 C LYS A 20 -8.952 2.794 -1.102 1.00 0.00 C ATOM 240 O LYS A 20 -8.695 2.904 -2.301 1.00 0.00 O ATOM 241 CB LYS A 20 -7.996 1.208 0.581 1.00 0.00 C ATOM 242 CG LYS A 20 -8.313 0.120 1.593 1.00 0.00 C ATOM 243 CD LYS A 20 -7.086 -0.262 2.402 1.00 0.00 C ATOM 244 CE LYS A 20 -7.451 -1.144 3.586 1.00 0.00 C ATOM 245 NZ LYS A 20 -7.832 -0.340 4.780 1.00 0.00 N ATOM 0 H LYS A 20 -8.113 0.087 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.070 1.372 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.068 0.956 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.822 2.145 1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.100 0.464 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.697 -0.759 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.376 -0.786 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.589 0.640 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.278 -1.798 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.606 -1.786 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.074 -0.978 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.034 0.266 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.654 0.254 4.551 1.00 0.00 H new ATOM 259 N VAL A 21 -9.113 3.839 -0.297 1.00 0.00 N ATOM 260 CA VAL A 21 -8.994 5.207 -0.788 1.00 0.00 C ATOM 261 C VAL A 21 -8.206 6.074 0.187 1.00 0.00 C ATOM 262 O VAL A 21 -8.162 5.797 1.386 1.00 0.00 O ATOM 263 CB VAL A 21 -10.377 5.842 -1.020 1.00 0.00 C ATOM 264 CG1 VAL A 21 -10.266 7.038 -1.954 1.00 0.00 C ATOM 265 CG2 VAL A 21 -11.350 4.812 -1.573 1.00 0.00 C ATOM 0 H VAL A 21 -9.326 3.765 0.698 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.461 5.157 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.761 6.194 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.253 7.474 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.604 7.784 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.861 6.715 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.323 5.278 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.973 4.428 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.452 3.991 -0.864 1.00 0.00 H new ATOM 275 N PHE A 22 -7.583 7.126 -0.335 1.00 0.00 N ATOM 276 CA PHE A 22 -6.796 8.035 0.490 1.00 0.00 C ATOM 277 C PHE A 22 -6.927 9.472 -0.006 1.00 0.00 C ATOM 278 O PHE A 22 -7.421 9.719 -1.107 1.00 0.00 O ATOM 279 CB PHE A 22 -5.324 7.615 0.487 1.00 0.00 C ATOM 280 CG PHE A 22 -5.114 6.168 0.830 1.00 0.00 C ATOM 281 CD1 PHE A 22 -5.216 5.189 -0.146 1.00 0.00 C ATOM 282 CD2 PHE A 22 -4.813 5.786 2.127 1.00 0.00 C ATOM 283 CE1 PHE A 22 -5.023 3.857 0.167 1.00 0.00 C ATOM 284 CE2 PHE A 22 -4.619 4.455 2.446 1.00 0.00 C ATOM 285 CZ PHE A 22 -4.723 3.489 1.464 1.00 0.00 C ATOM 0 H PHE A 22 -7.608 7.370 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.180 7.985 1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.900 7.812 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.777 8.232 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.449 5.470 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.729 6.537 2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.107 3.104 -0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.386 4.171 3.462 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.570 2.449 1.710 1.00 0.00 H new ATOM 295 N THR A 23 -6.481 10.418 0.814 1.00 0.00 N ATOM 296 CA THR A 23 -6.549 11.831 0.460 1.00 0.00 C ATOM 297 C THR A 23 -5.323 12.258 -0.338 1.00 0.00 C ATOM 298 O THR A 23 -5.432 13.015 -1.302 1.00 0.00 O ATOM 299 CB THR A 23 -6.666 12.718 1.714 1.00 0.00 C ATOM 300 OG1 THR A 23 -6.891 14.080 1.331 1.00 0.00 O ATOM 301 CG2 THR A 23 -5.407 12.626 2.562 1.00 0.00 C ATOM 0 H THR A 23 -6.069 10.232 1.728 1.00 0.00 H new ATOM 0 HA THR A 23 -7.441 11.961 -0.153 1.00 0.00 H new ATOM 0 HB THR A 23 -7.510 12.363 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.966 14.637 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.514 13.261 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.255 11.593 2.876 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.549 12.958 1.977 1.00 0.00 H new ATOM 309 N GLN A 24 -4.157 11.767 0.069 1.00 0.00 N ATOM 310 CA GLN A 24 -2.910 12.099 -0.609 1.00 0.00 C ATOM 311 C GLN A 24 -2.327 10.874 -1.307 1.00 0.00 C ATOM 312 O GLN A 24 -2.750 9.746 -1.058 1.00 0.00 O ATOM 313 CB GLN A 24 -1.896 12.663 0.388 1.00 0.00 C ATOM 314 CG GLN A 24 -2.096 14.139 0.690 1.00 0.00 C ATOM 315 CD GLN A 24 -1.918 15.015 -0.534 1.00 0.00 C ATOM 316 OE1 GLN A 24 -1.367 14.582 -1.546 1.00 0.00 O ATOM 317 NE2 GLN A 24 -2.384 16.255 -0.448 1.00 0.00 N ATOM 0 H GLN A 24 -4.050 11.138 0.865 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.127 12.856 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.961 12.098 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.891 12.514 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.095 14.290 1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.388 14.448 1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.834 16.572 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.292 16.890 -1.241 1.00 0.00 H new ATOM 326 N ASN A 25 -1.354 11.105 -2.183 1.00 0.00 N ATOM 327 CA ASN A 25 -0.714 10.020 -2.918 1.00 0.00 C ATOM 328 C ASN A 25 0.224 9.229 -2.012 1.00 0.00 C ATOM 329 O ASN A 25 0.128 8.005 -1.919 1.00 0.00 O ATOM 330 CB ASN A 25 0.061 10.575 -4.114 1.00 0.00 C ATOM 331 CG ASN A 25 1.146 9.628 -4.590 1.00 0.00 C ATOM 332 OD1 ASN A 25 2.330 9.841 -4.330 1.00 0.00 O ATOM 333 ND2 ASN A 25 0.744 8.574 -5.292 1.00 0.00 N ATOM 0 H ASN A 25 -0.992 12.033 -2.401 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.493 9.349 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.631 10.771 -4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.510 11.530 -3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.428 7.902 -5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.248 8.437 -5.484 1.00 0.00 H new ATOM 340 N SER A 26 1.131 9.937 -1.346 1.00 0.00 N ATOM 341 CA SER A 26 2.089 9.301 -0.449 1.00 0.00 C ATOM 342 C SER A 26 1.413 8.223 0.393 1.00 0.00 C ATOM 343 O SER A 26 1.847 7.071 0.414 1.00 0.00 O ATOM 344 CB SER A 26 2.737 10.344 0.462 1.00 0.00 C ATOM 345 OG SER A 26 3.782 11.029 -0.208 1.00 0.00 O ATOM 0 H SER A 26 1.222 10.951 -1.411 1.00 0.00 H new ATOM 0 HA SER A 26 2.861 8.831 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.984 11.059 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.131 9.857 1.354 1.00 0.00 H new ATOM 0 HG SER A 26 4.179 11.691 0.396 1.00 0.00 H new ATOM 351 N HIS A 27 0.345 8.606 1.087 1.00 0.00 N ATOM 352 CA HIS A 27 -0.393 7.674 1.931 1.00 0.00 C ATOM 353 C HIS A 27 -0.786 6.425 1.147 1.00 0.00 C ATOM 354 O HIS A 27 -0.864 5.329 1.704 1.00 0.00 O ATOM 355 CB HIS A 27 -1.642 8.347 2.500 1.00 0.00 C ATOM 356 CG HIS A 27 -1.357 9.629 3.220 1.00 0.00 C ATOM 357 ND1 HIS A 27 -0.251 10.409 3.234 1.00 0.00 N flip ATOM 358 CD2 HIS A 27 -2.270 10.247 4.048 1.00 0.00 C flip ATOM 359 CE1 HIS A 27 -0.513 11.474 4.061 1.00 0.00 C flip ATOM 360 NE2 HIS A 27 -1.739 11.352 4.539 1.00 0.00 N flip ATOM 0 H HIS A 27 -0.028 9.555 1.081 1.00 0.00 H new ATOM 0 HA HIS A 27 0.256 7.376 2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.341 8.544 1.687 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.136 7.658 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.264 9.884 4.262 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.171 12.279 4.284 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.197 12.001 5.179 1.00 0.00 H new ATOM 368 N LEU A 28 -1.032 6.598 -0.146 1.00 0.00 N ATOM 369 CA LEU A 28 -1.418 5.485 -1.007 1.00 0.00 C ATOM 370 C LEU A 28 -0.196 4.679 -1.435 1.00 0.00 C ATOM 371 O LEU A 28 -0.261 3.458 -1.566 1.00 0.00 O ATOM 372 CB LEU A 28 -2.160 6.003 -2.241 1.00 0.00 C ATOM 373 CG LEU A 28 -2.339 5.003 -3.384 1.00 0.00 C ATOM 374 CD1 LEU A 28 -3.231 3.851 -2.951 1.00 0.00 C ATOM 375 CD2 LEU A 28 -2.915 5.694 -4.611 1.00 0.00 C ATOM 0 H LEU A 28 -0.971 7.498 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.081 4.831 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.146 6.349 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.624 6.871 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.361 4.599 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.347 3.150 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.778 3.339 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.209 4.237 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.036 4.968 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.885 6.126 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.238 6.484 -4.935 1.00 0.00 H new ATOM 387 N ALA A 29 0.918 5.372 -1.650 1.00 0.00 N ATOM 388 CA ALA A 29 2.156 4.720 -2.059 1.00 0.00 C ATOM 389 C ALA A 29 2.726 3.867 -0.931 1.00 0.00 C ATOM 390 O ALA A 29 3.269 2.788 -1.169 1.00 0.00 O ATOM 391 CB ALA A 29 3.176 5.757 -2.506 1.00 0.00 C ATOM 0 H ALA A 29 0.988 6.384 -1.548 1.00 0.00 H new ATOM 0 HA ALA A 29 1.931 4.062 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.096 5.256 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.776 6.321 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.388 6.438 -1.682 1.00 0.00 H new ATOM 397 N ARG A 30 2.599 4.358 0.298 1.00 0.00 N ATOM 398 CA ARG A 30 3.104 3.641 1.462 1.00 0.00 C ATOM 399 C ARG A 30 2.189 2.473 1.821 1.00 0.00 C ATOM 400 O ARG A 30 2.631 1.478 2.394 1.00 0.00 O ATOM 401 CB ARG A 30 3.230 4.589 2.656 1.00 0.00 C ATOM 402 CG ARG A 30 1.898 4.940 3.299 1.00 0.00 C ATOM 403 CD ARG A 30 2.027 6.133 4.233 1.00 0.00 C ATOM 404 NE ARG A 30 2.870 5.835 5.388 1.00 0.00 N ATOM 405 CZ ARG A 30 2.870 6.557 6.503 1.00 0.00 C ATOM 406 NH1 ARG A 30 2.076 7.613 6.614 1.00 0.00 N ATOM 407 NH2 ARG A 30 3.665 6.222 7.511 1.00 0.00 N ATOM 0 H ARG A 30 2.151 5.249 0.513 1.00 0.00 H new ATOM 0 HA ARG A 30 4.089 3.246 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.876 4.132 3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.720 5.507 2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.165 5.162 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.523 4.080 3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.446 6.978 3.686 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.037 6.434 4.575 1.00 0.00 H new ATOM 0 HE ARG A 30 3.493 5.029 5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.463 7.873 5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.079 8.165 7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.277 5.410 7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.665 6.777 8.367 1.00 0.00 H new ATOM 421 N HIS A 31 0.911 2.604 1.479 1.00 0.00 N ATOM 422 CA HIS A 31 -0.067 1.560 1.764 1.00 0.00 C ATOM 423 C HIS A 31 0.145 0.353 0.855 1.00 0.00 C ATOM 424 O HIS A 31 0.206 -0.785 1.321 1.00 0.00 O ATOM 425 CB HIS A 31 -1.487 2.100 1.592 1.00 0.00 C ATOM 426 CG HIS A 31 -2.527 1.028 1.486 1.00 0.00 C ATOM 427 ND1 HIS A 31 -3.002 0.330 2.576 1.00 0.00 N ATOM 428 CD2 HIS A 31 -3.186 0.536 0.411 1.00 0.00 C ATOM 429 CE1 HIS A 31 -3.907 -0.545 2.176 1.00 0.00 C ATOM 430 NE2 HIS A 31 -4.037 -0.440 0.866 1.00 0.00 N ATOM 0 H HIS A 31 0.529 3.422 1.005 1.00 0.00 H new ATOM 0 HA HIS A 31 0.070 1.242 2.798 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.727 2.745 2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -1.525 2.721 0.697 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.701 0.468 3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.065 0.853 -0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.448 -1.230 2.812 1.00 0.00 H new ATOM 438 N ARG A 32 0.255 0.610 -0.445 1.00 0.00 N ATOM 439 CA ARG A 32 0.458 -0.455 -1.419 1.00 0.00 C ATOM 440 C ARG A 32 1.508 -1.448 -0.929 1.00 0.00 C ATOM 441 O ARG A 32 1.541 -2.598 -1.368 1.00 0.00 O ATOM 442 CB ARG A 32 0.885 0.132 -2.766 1.00 0.00 C ATOM 443 CG ARG A 32 -0.248 0.803 -3.525 1.00 0.00 C ATOM 444 CD ARG A 32 0.215 1.311 -4.882 1.00 0.00 C ATOM 445 NE ARG A 32 1.423 2.124 -4.779 1.00 0.00 N ATOM 446 CZ ARG A 32 2.120 2.542 -5.830 1.00 0.00 C ATOM 447 NH1 ARG A 32 1.730 2.225 -7.057 1.00 0.00 N ATOM 448 NH2 ARG A 32 3.210 3.279 -5.655 1.00 0.00 N ATOM 0 H ARG A 32 0.207 1.546 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.487 -0.984 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.680 0.859 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.303 -0.663 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.066 0.096 -3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.639 1.634 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.404 0.464 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.580 1.900 -5.339 1.00 0.00 H new ATOM 0 HE ARG A 32 1.750 2.386 -3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.893 1.659 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.267 2.547 -7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.513 3.525 -4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.744 3.599 -6.463 1.00 0.00 H new ATOM 462 N ARG A 33 2.363 -0.995 -0.018 1.00 0.00 N ATOM 463 CA ARG A 33 3.415 -1.843 0.530 1.00 0.00 C ATOM 464 C ARG A 33 2.826 -3.104 1.155 1.00 0.00 C ATOM 465 O ARG A 33 3.335 -4.207 0.953 1.00 0.00 O ATOM 466 CB ARG A 33 4.227 -1.074 1.574 1.00 0.00 C ATOM 467 CG ARG A 33 5.011 0.093 0.997 1.00 0.00 C ATOM 468 CD ARG A 33 5.885 0.752 2.052 1.00 0.00 C ATOM 469 NE ARG A 33 7.213 0.147 2.119 1.00 0.00 N ATOM 470 CZ ARG A 33 8.105 0.222 1.138 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.814 0.875 0.022 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.292 -0.355 1.274 1.00 0.00 N ATOM 0 H ARG A 33 2.348 -0.046 0.356 1.00 0.00 H new ATOM 0 HA ARG A 33 4.073 -2.137 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.552 -0.702 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.919 -1.760 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.634 -0.257 0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.320 0.828 0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.982 1.815 1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.401 0.672 3.025 1.00 0.00 H new ATOM 0 HE ARG A 33 7.469 -0.361 2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.903 1.321 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.501 0.931 -0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.520 -0.857 2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.977 -0.297 0.520 1.00 0.00 H new ATOM 486 N VAL A 34 1.750 -2.934 1.917 1.00 0.00 N ATOM 487 CA VAL A 34 1.091 -4.057 2.572 1.00 0.00 C ATOM 488 C VAL A 34 0.946 -5.240 1.620 1.00 0.00 C ATOM 489 O VAL A 34 0.864 -6.391 2.051 1.00 0.00 O ATOM 490 CB VAL A 34 -0.302 -3.662 3.098 1.00 0.00 C ATOM 491 CG1 VAL A 34 -0.190 -2.531 4.108 1.00 0.00 C ATOM 492 CG2 VAL A 34 -1.215 -3.270 1.945 1.00 0.00 C ATOM 0 H VAL A 34 1.316 -2.028 2.096 1.00 0.00 H new ATOM 0 HA VAL A 34 1.720 -4.346 3.414 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.740 -4.524 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.184 -2.265 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.427 -2.852 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.268 -1.663 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.195 -2.994 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.784 -2.422 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.320 -4.113 1.262 1.00 0.00 H new ATOM 502 N HIS A 35 0.915 -4.949 0.324 1.00 0.00 N ATOM 503 CA HIS A 35 0.782 -5.989 -0.690 1.00 0.00 C ATOM 504 C HIS A 35 2.147 -6.551 -1.075 1.00 0.00 C ATOM 505 O HIS A 35 2.350 -7.766 -1.088 1.00 0.00 O ATOM 506 CB HIS A 35 0.077 -5.436 -1.929 1.00 0.00 C ATOM 507 CG HIS A 35 -1.290 -4.893 -1.648 1.00 0.00 C ATOM 508 ND1 HIS A 35 -2.441 -5.638 -1.796 1.00 0.00 N ATOM 509 CD2 HIS A 35 -1.688 -3.670 -1.224 1.00 0.00 C ATOM 510 CE1 HIS A 35 -3.487 -4.897 -1.477 1.00 0.00 C ATOM 511 NE2 HIS A 35 -3.057 -3.699 -1.126 1.00 0.00 N ATOM 0 H HIS A 35 0.980 -4.002 -0.049 1.00 0.00 H new ATOM 0 HA HIS A 35 0.182 -6.796 -0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.690 -4.647 -2.364 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.001 -6.226 -2.675 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.479 -6.610 -2.104 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.048 -2.829 -1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.518 -5.217 -1.499 1.00 0.00 H new ATOM 519 N THR A 36 3.081 -5.659 -1.390 1.00 0.00 N ATOM 520 CA THR A 36 4.426 -6.066 -1.778 1.00 0.00 C ATOM 521 C THR A 36 5.370 -6.055 -0.581 1.00 0.00 C ATOM 522 O THR A 36 6.524 -5.642 -0.691 1.00 0.00 O ATOM 523 CB THR A 36 4.997 -5.147 -2.875 1.00 0.00 C ATOM 524 OG1 THR A 36 6.284 -5.618 -3.288 1.00 0.00 O ATOM 525 CG2 THR A 36 5.111 -3.715 -2.376 1.00 0.00 C ATOM 0 H THR A 36 2.931 -4.650 -1.384 1.00 0.00 H new ATOM 0 HA THR A 36 4.349 -7.081 -2.168 1.00 0.00 H new ATOM 0 HB THR A 36 4.315 -5.165 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.882 -5.659 -2.512 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.516 -3.085 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.125 -3.349 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.774 -3.683 -1.511 1.00 0.00 H new ATOM 533 N GLY A 37 4.872 -6.513 0.564 1.00 0.00 N ATOM 534 CA GLY A 37 5.685 -6.547 1.766 1.00 0.00 C ATOM 535 C GLY A 37 5.899 -7.957 2.281 1.00 0.00 C ATOM 536 O GLY A 37 5.623 -8.249 3.444 1.00 0.00 O ATOM 0 H GLY A 37 3.920 -6.861 0.680 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.652 -6.088 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.207 -5.949 2.542 1.00 0.00 H new ATOM 540 N GLY A 38 6.390 -8.835 1.412 1.00 0.00 N ATOM 541 CA GLY A 38 6.630 -10.212 1.803 1.00 0.00 C ATOM 542 C GLY A 38 5.372 -10.904 2.290 1.00 0.00 C ATOM 543 O GLY A 38 4.298 -10.302 2.328 1.00 0.00 O ATOM 0 H GLY A 38 6.626 -8.617 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.038 -10.762 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.383 -10.237 2.591 1.00 0.00 H new ATOM 547 N LYS A 39 5.503 -12.172 2.662 1.00 0.00 N ATOM 548 CA LYS A 39 4.368 -12.948 3.148 1.00 0.00 C ATOM 549 C LYS A 39 4.743 -13.734 4.401 1.00 0.00 C ATOM 550 O LYS A 39 5.864 -14.224 4.543 1.00 0.00 O ATOM 551 CB LYS A 39 3.875 -13.906 2.061 1.00 0.00 C ATOM 552 CG LYS A 39 3.262 -13.202 0.863 1.00 0.00 C ATOM 553 CD LYS A 39 2.726 -14.196 -0.154 1.00 0.00 C ATOM 554 CE LYS A 39 2.408 -13.520 -1.479 1.00 0.00 C ATOM 555 NZ LYS A 39 1.474 -14.334 -2.306 1.00 0.00 N ATOM 0 H LYS A 39 6.384 -12.685 2.636 1.00 0.00 H new ATOM 0 HA LYS A 39 3.567 -12.253 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.710 -14.520 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.136 -14.582 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.454 -12.550 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.011 -12.566 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.460 -14.986 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.827 -14.671 0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.968 -12.541 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.332 -13.353 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.282 -13.840 -3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.905 -15.259 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.583 -14.472 -1.788 1.00 0.00 H new ATOM 569 N PRO A 40 3.785 -13.860 5.331 1.00 0.00 N ATOM 570 CA PRO A 40 3.991 -14.588 6.586 1.00 0.00 C ATOM 571 C PRO A 40 4.117 -16.092 6.371 1.00 0.00 C ATOM 572 O PRO A 40 3.340 -16.689 5.625 1.00 0.00 O ATOM 573 CB PRO A 40 2.731 -14.267 7.393 1.00 0.00 C ATOM 574 CG PRO A 40 1.695 -13.953 6.370 1.00 0.00 C ATOM 575 CD PRO A 40 2.426 -13.303 5.227 1.00 0.00 C ATOM 0 HA PRO A 40 4.917 -14.294 7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.432 -15.112 8.013 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.894 -13.423 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.183 -14.858 6.042 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.934 -13.286 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.966 -13.542 4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.429 -12.217 5.317 1.00 0.00 H new ATOM 583 N SER A 41 5.099 -16.700 7.029 1.00 0.00 N ATOM 584 CA SER A 41 5.328 -18.135 6.906 1.00 0.00 C ATOM 585 C SER A 41 5.895 -18.707 8.201 1.00 0.00 C ATOM 586 O SER A 41 6.726 -18.081 8.858 1.00 0.00 O ATOM 587 CB SER A 41 6.283 -18.423 5.746 1.00 0.00 C ATOM 588 OG SER A 41 5.687 -18.099 4.502 1.00 0.00 O ATOM 0 H SER A 41 5.749 -16.221 7.653 1.00 0.00 H new ATOM 0 HA SER A 41 4.370 -18.615 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.200 -17.848 5.874 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.564 -19.476 5.755 1.00 0.00 H new ATOM 0 HG SER A 41 6.318 -18.291 3.777 1.00 0.00 H new ATOM 594 N GLY A 42 5.440 -19.903 8.563 1.00 0.00 N ATOM 595 CA GLY A 42 5.912 -20.541 9.778 1.00 0.00 C ATOM 596 C GLY A 42 5.286 -21.904 9.998 1.00 0.00 C ATOM 597 O GLY A 42 4.803 -22.547 9.066 1.00 0.00 O ATOM 0 H GLY A 42 4.753 -20.442 8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.996 -20.646 9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.689 -19.900 10.631 1.00 0.00 H new ATOM 601 N PRO A 43 5.291 -22.365 11.257 1.00 0.00 N ATOM 602 CA PRO A 43 4.725 -23.666 11.626 1.00 0.00 C ATOM 603 C PRO A 43 3.204 -23.686 11.521 1.00 0.00 C ATOM 604 O PRO A 43 2.595 -22.751 11.002 1.00 0.00 O ATOM 605 CB PRO A 43 5.163 -23.843 13.082 1.00 0.00 C ATOM 606 CG PRO A 43 5.360 -22.457 13.590 1.00 0.00 C ATOM 607 CD PRO A 43 5.850 -21.652 12.418 1.00 0.00 C ATOM 0 HA PRO A 43 5.066 -24.462 10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.407 -24.373 13.661 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.083 -24.424 13.151 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.428 -22.049 13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.083 -22.439 14.405 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.499 -20.621 12.464 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.939 -21.617 12.382 1.00 0.00 H new ATOM 615 N SER A 44 2.595 -24.759 12.017 1.00 0.00 N ATOM 616 CA SER A 44 1.145 -24.902 11.976 1.00 0.00 C ATOM 617 C SER A 44 0.468 -23.829 12.824 1.00 0.00 C ATOM 618 O SER A 44 -0.362 -23.066 12.331 1.00 0.00 O ATOM 619 CB SER A 44 0.734 -26.291 12.469 1.00 0.00 C ATOM 620 OG SER A 44 1.393 -27.308 11.734 1.00 0.00 O ATOM 0 H SER A 44 3.084 -25.542 12.452 1.00 0.00 H new ATOM 0 HA SER A 44 0.823 -24.780 10.942 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.973 -26.390 13.528 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.345 -26.410 12.373 1.00 0.00 H new ATOM 0 HG SER A 44 1.115 -28.186 12.069 1.00 0.00 H new ATOM 626 N SER A 45 0.830 -23.778 14.102 1.00 0.00 N ATOM 627 CA SER A 45 0.256 -22.801 15.020 1.00 0.00 C ATOM 628 C SER A 45 1.090 -22.698 16.294 1.00 0.00 C ATOM 629 O SER A 45 1.901 -23.574 16.591 1.00 0.00 O ATOM 630 CB SER A 45 -1.184 -23.183 15.369 1.00 0.00 C ATOM 631 OG SER A 45 -1.889 -22.076 15.903 1.00 0.00 O ATOM 0 H SER A 45 1.518 -24.401 14.525 1.00 0.00 H new ATOM 0 HA SER A 45 0.257 -21.829 14.526 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.694 -23.547 14.477 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.182 -24.000 16.091 1.00 0.00 H new ATOM 0 HG SER A 45 -2.807 -22.345 16.116 1.00 0.00 H new ATOM 637 N GLY A 46 0.884 -21.619 17.043 1.00 0.00 N ATOM 638 CA GLY A 46 1.623 -21.419 18.275 1.00 0.00 C ATOM 639 C GLY A 46 0.742 -21.529 19.504 1.00 0.00 C ATOM 640 O GLY A 46 0.112 -22.567 19.699 1.00 0.00 O ATOM 0 H GLY A 46 0.218 -20.880 16.818 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.424 -22.156 18.339 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.095 -20.437 18.257 1.00 0.00 H new TER 644 GLY A 46 HETATM 645 ZN ZN A 201 -4.457 -1.828 -0.990 1.00 0.00 ZN