USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 298 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 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 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 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= -0.01 (180deg=-0.18) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 23 LYS NZ :NH3+ -133:sc= -0.566 (180deg=-1.37!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -15:sc= 0.308 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0513 USER MOD Single : A 43 SER OG : rot 88:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.705 -19.908 3.188 1.00 0.00 N ATOM 2 CA GLY A 1 -10.469 -18.804 2.637 1.00 0.00 C ATOM 3 C GLY A 1 -10.015 -18.424 1.242 1.00 0.00 C ATOM 4 O GLY A 1 -10.765 -18.568 0.277 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.054 -20.129 4.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.812 -20.743 2.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.700 -19.644 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.525 -19.074 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.377 -17.939 3.294 1.00 0.00 H new ATOM 8 N SER A 2 -8.783 -17.936 1.135 1.00 0.00 N ATOM 9 CA SER A 2 -8.232 -17.529 -0.152 1.00 0.00 C ATOM 10 C SER A 2 -9.040 -16.381 -0.751 1.00 0.00 C ATOM 11 O SER A 2 -9.322 -16.365 -1.949 1.00 0.00 O ATOM 12 CB SER A 2 -8.212 -18.713 -1.121 1.00 0.00 C ATOM 13 OG SER A 2 -7.197 -19.639 -0.774 1.00 0.00 O ATOM 0 H SER A 2 -8.148 -17.813 1.924 1.00 0.00 H new ATOM 0 HA SER A 2 -7.211 -17.185 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.182 -19.211 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.048 -18.353 -2.137 1.00 0.00 H new ATOM 0 HG SER A 2 -7.206 -20.387 -1.407 1.00 0.00 H new ATOM 19 N SER A 3 -9.409 -15.423 0.093 1.00 0.00 N ATOM 20 CA SER A 3 -10.188 -14.273 -0.351 1.00 0.00 C ATOM 21 C SER A 3 -9.273 -13.132 -0.786 1.00 0.00 C ATOM 22 O SER A 3 -8.139 -13.019 -0.322 1.00 0.00 O ATOM 23 CB SER A 3 -11.116 -13.797 0.768 1.00 0.00 C ATOM 24 OG SER A 3 -10.400 -13.069 1.751 1.00 0.00 O ATOM 0 H SER A 3 -9.181 -15.420 1.087 1.00 0.00 H new ATOM 0 HA SER A 3 -10.789 -14.581 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.904 -13.171 0.349 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.603 -14.656 1.230 1.00 0.00 H new ATOM 0 HG SER A 3 -11.016 -12.775 2.454 1.00 0.00 H new ATOM 30 N GLY A 4 -9.775 -12.289 -1.683 1.00 0.00 N ATOM 31 CA GLY A 4 -8.990 -11.168 -2.168 1.00 0.00 C ATOM 32 C GLY A 4 -9.414 -9.852 -1.547 1.00 0.00 C ATOM 33 O GLY A 4 -9.418 -9.707 -0.324 1.00 0.00 O ATOM 0 H GLY A 4 -10.711 -12.362 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.937 -11.346 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.086 -11.103 -3.252 1.00 0.00 H new ATOM 37 N SER A 5 -9.771 -8.889 -2.390 1.00 0.00 N ATOM 38 CA SER A 5 -10.193 -7.575 -1.917 1.00 0.00 C ATOM 39 C SER A 5 -11.714 -7.457 -1.929 1.00 0.00 C ATOM 40 O SER A 5 -12.384 -8.020 -2.794 1.00 0.00 O ATOM 41 CB SER A 5 -9.577 -6.475 -2.783 1.00 0.00 C ATOM 42 OG SER A 5 -10.303 -6.309 -3.989 1.00 0.00 O ATOM 0 H SER A 5 -9.777 -8.993 -3.405 1.00 0.00 H new ATOM 0 HA SER A 5 -9.845 -7.456 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.565 -5.536 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.540 -6.724 -3.010 1.00 0.00 H new ATOM 0 HG SER A 5 -9.890 -5.599 -4.524 1.00 0.00 H new ATOM 48 N SER A 6 -12.251 -6.719 -0.962 1.00 0.00 N ATOM 49 CA SER A 6 -13.693 -6.529 -0.859 1.00 0.00 C ATOM 50 C SER A 6 -14.119 -5.226 -1.529 1.00 0.00 C ATOM 51 O SER A 6 -14.104 -4.163 -0.911 1.00 0.00 O ATOM 52 CB SER A 6 -14.124 -6.524 0.609 1.00 0.00 C ATOM 53 OG SER A 6 -15.535 -6.473 0.727 1.00 0.00 O ATOM 0 H SER A 6 -11.710 -6.244 -0.240 1.00 0.00 H new ATOM 0 HA SER A 6 -14.181 -7.358 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.747 -7.418 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.682 -5.667 1.118 1.00 0.00 H new ATOM 0 HG SER A 6 -15.784 -6.472 1.675 1.00 0.00 H new ATOM 59 N GLY A 7 -14.498 -5.318 -2.800 1.00 0.00 N ATOM 60 CA GLY A 7 -14.922 -4.141 -3.535 1.00 0.00 C ATOM 61 C GLY A 7 -13.893 -3.691 -4.553 1.00 0.00 C ATOM 62 O GLY A 7 -13.095 -4.495 -5.034 1.00 0.00 O ATOM 0 H GLY A 7 -14.519 -6.187 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.863 -4.353 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.115 -3.329 -2.834 1.00 0.00 H new ATOM 66 N GLU A 8 -13.914 -2.404 -4.884 1.00 0.00 N ATOM 67 CA GLU A 8 -12.976 -1.850 -5.854 1.00 0.00 C ATOM 68 C GLU A 8 -12.431 -0.506 -5.378 1.00 0.00 C ATOM 69 O GLU A 8 -13.189 0.377 -4.975 1.00 0.00 O ATOM 70 CB GLU A 8 -13.655 -1.684 -7.215 1.00 0.00 C ATOM 71 CG GLU A 8 -14.206 -2.981 -7.783 1.00 0.00 C ATOM 72 CD GLU A 8 -15.032 -2.766 -9.036 1.00 0.00 C ATOM 73 OE1 GLU A 8 -14.438 -2.685 -10.131 1.00 0.00 O ATOM 74 OE2 GLU A 8 -16.273 -2.678 -8.921 1.00 0.00 O ATOM 0 H GLU A 8 -14.569 -1.726 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.143 -2.546 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.468 -0.964 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.938 -1.264 -7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.379 -3.654 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.820 -3.472 -7.028 1.00 0.00 H new ATOM 81 N LYS A 9 -11.112 -0.359 -5.428 1.00 0.00 N ATOM 82 CA LYS A 9 -10.463 0.876 -5.003 1.00 0.00 C ATOM 83 C LYS A 9 -9.913 1.642 -6.202 1.00 0.00 C ATOM 84 O LYS A 9 -9.015 1.179 -6.906 1.00 0.00 O ATOM 85 CB LYS A 9 -9.332 0.569 -4.018 1.00 0.00 C ATOM 86 CG LYS A 9 -9.790 0.487 -2.572 1.00 0.00 C ATOM 87 CD LYS A 9 -8.850 -0.367 -1.737 1.00 0.00 C ATOM 88 CE LYS A 9 -9.298 -0.432 -0.285 1.00 0.00 C ATOM 89 NZ LYS A 9 -8.193 -0.856 0.618 1.00 0.00 N ATOM 0 H LYS A 9 -10.471 -1.080 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.209 1.498 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.865 -0.376 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.567 1.340 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.844 1.490 -2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.796 0.069 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.807 -1.374 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.841 0.042 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.666 0.546 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.130 -1.130 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.539 -0.888 1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.859 -1.800 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.409 -0.177 0.549 1.00 0.00 H new ATOM 103 N PRO A 10 -10.462 2.842 -6.441 1.00 0.00 N ATOM 104 CA PRO A 10 -10.041 3.698 -7.553 1.00 0.00 C ATOM 105 C PRO A 10 -8.642 4.270 -7.347 1.00 0.00 C ATOM 106 O PRO A 10 -8.164 5.070 -8.151 1.00 0.00 O ATOM 107 CB PRO A 10 -11.083 4.819 -7.553 1.00 0.00 C ATOM 108 CG PRO A 10 -11.584 4.870 -6.150 1.00 0.00 C ATOM 109 CD PRO A 10 -11.537 3.456 -5.643 1.00 0.00 C ATOM 0 HA PRO A 10 -9.987 3.148 -8.493 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.641 5.770 -7.851 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.890 4.609 -8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.964 5.525 -5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.599 5.265 -6.112 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.317 3.419 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.488 2.945 -5.790 1.00 0.00 H new ATOM 117 N TYR A 11 -7.992 3.855 -6.266 1.00 0.00 N ATOM 118 CA TYR A 11 -6.649 4.328 -5.953 1.00 0.00 C ATOM 119 C TYR A 11 -5.739 3.166 -5.563 1.00 0.00 C ATOM 120 O TYR A 11 -5.896 2.572 -4.497 1.00 0.00 O ATOM 121 CB TYR A 11 -6.698 5.354 -4.821 1.00 0.00 C ATOM 122 CG TYR A 11 -7.607 6.528 -5.106 1.00 0.00 C ATOM 123 CD1 TYR A 11 -8.960 6.476 -4.794 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.114 7.690 -5.687 1.00 0.00 C ATOM 125 CE1 TYR A 11 -9.795 7.545 -5.054 1.00 0.00 C ATOM 126 CE2 TYR A 11 -7.941 8.765 -5.949 1.00 0.00 C ATOM 127 CZ TYR A 11 -9.280 8.687 -5.631 1.00 0.00 C ATOM 128 OH TYR A 11 -10.109 9.756 -5.890 1.00 0.00 O ATOM 0 H TYR A 11 -8.373 3.192 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.241 4.802 -6.846 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.032 4.860 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.690 5.723 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.366 5.584 -4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.066 7.754 -5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.845 7.487 -4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.541 9.661 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.590 10.481 -6.296 1.00 0.00 H new ATOM 138 N SER A 12 -4.788 2.850 -6.436 1.00 0.00 N ATOM 139 CA SER A 12 -3.854 1.758 -6.186 1.00 0.00 C ATOM 140 C SER A 12 -2.422 2.188 -6.488 1.00 0.00 C ATOM 141 O SER A 12 -2.159 2.849 -7.493 1.00 0.00 O ATOM 142 CB SER A 12 -4.223 0.539 -7.034 1.00 0.00 C ATOM 143 OG SER A 12 -5.625 0.336 -7.052 1.00 0.00 O ATOM 0 H SER A 12 -4.644 3.334 -7.322 1.00 0.00 H new ATOM 0 HA SER A 12 -3.919 1.491 -5.131 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.859 0.677 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.729 -0.348 -6.636 1.00 0.00 H new ATOM 0 HG SER A 12 -5.835 -0.448 -7.602 1.00 0.00 H new ATOM 149 N CYS A 13 -1.499 1.807 -5.611 1.00 0.00 N ATOM 150 CA CYS A 13 -0.093 2.152 -5.782 1.00 0.00 C ATOM 151 C CYS A 13 0.502 1.431 -6.988 1.00 0.00 C ATOM 152 O CYS A 13 -0.052 0.442 -7.468 1.00 0.00 O ATOM 153 CB CYS A 13 0.697 1.797 -4.521 1.00 0.00 C ATOM 154 SG CYS A 13 2.489 2.095 -4.658 1.00 0.00 S ATOM 0 H CYS A 13 -1.700 1.259 -4.774 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.027 3.226 -5.955 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.306 2.377 -3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.531 0.746 -4.285 1.00 0.00 H new ATOM 159 N ASN A 14 1.633 1.933 -7.472 1.00 0.00 N ATOM 160 CA ASN A 14 2.303 1.337 -8.622 1.00 0.00 C ATOM 161 C ASN A 14 3.739 0.954 -8.277 1.00 0.00 C ATOM 162 O ASN A 14 4.247 -0.067 -8.739 1.00 0.00 O ATOM 163 CB ASN A 14 2.293 2.308 -9.805 1.00 0.00 C ATOM 164 CG ASN A 14 2.277 1.592 -11.141 1.00 0.00 C ATOM 165 OD1 ASN A 14 1.265 1.584 -11.842 1.00 0.00 O ATOM 166 ND2 ASN A 14 3.403 0.986 -11.501 1.00 0.00 N ATOM 0 H ASN A 14 2.105 2.751 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 14 1.761 0.433 -8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.419 2.955 -9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.172 2.951 -9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.453 0.488 -12.390 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.218 1.018 -10.888 1.00 0.00 H new ATOM 173 N GLU A 15 4.386 1.780 -7.461 1.00 0.00 N ATOM 174 CA GLU A 15 5.764 1.527 -7.054 1.00 0.00 C ATOM 175 C GLU A 15 5.901 0.140 -6.433 1.00 0.00 C ATOM 176 O GLU A 15 6.512 -0.756 -7.016 1.00 0.00 O ATOM 177 CB GLU A 15 6.229 2.592 -6.059 1.00 0.00 C ATOM 178 CG GLU A 15 5.703 3.984 -6.367 1.00 0.00 C ATOM 179 CD GLU A 15 6.629 5.079 -5.876 1.00 0.00 C ATOM 180 OE1 GLU A 15 7.860 4.926 -6.025 1.00 0.00 O ATOM 181 OE2 GLU A 15 6.124 6.089 -5.343 1.00 0.00 O ATOM 0 H GLU A 15 3.979 2.629 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 15 6.393 1.572 -7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.909 2.305 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.319 2.618 -6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.564 4.086 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.723 4.108 -5.906 1.00 0.00 H new ATOM 188 N CYS A 16 5.330 -0.029 -5.245 1.00 0.00 N ATOM 189 CA CYS A 16 5.388 -1.305 -4.543 1.00 0.00 C ATOM 190 C CYS A 16 4.129 -2.127 -4.802 1.00 0.00 C ATOM 191 O CYS A 16 4.193 -3.344 -4.973 1.00 0.00 O ATOM 192 CB CYS A 16 5.561 -1.076 -3.040 1.00 0.00 C ATOM 193 SG CYS A 16 4.034 -0.571 -2.185 1.00 0.00 S ATOM 0 H CYS A 16 4.822 0.703 -4.748 1.00 0.00 H new ATOM 0 HA CYS A 16 6.247 -1.860 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.934 -1.993 -2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.322 -0.311 -2.885 1.00 0.00 H new ATOM 198 N GLY A 17 2.984 -1.452 -4.830 1.00 0.00 N ATOM 199 CA GLY A 17 1.726 -2.136 -5.068 1.00 0.00 C ATOM 200 C GLY A 17 0.810 -2.103 -3.861 1.00 0.00 C ATOM 201 O GLY A 17 1.151 -2.622 -2.799 1.00 0.00 O ATOM 0 H GLY A 17 2.905 -0.444 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.220 -1.675 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.926 -3.172 -5.340 1.00 0.00 H new ATOM 205 N LYS A 18 -0.357 -1.489 -4.023 1.00 0.00 N ATOM 206 CA LYS A 18 -1.326 -1.389 -2.938 1.00 0.00 C ATOM 207 C LYS A 18 -2.630 -0.768 -3.428 1.00 0.00 C ATOM 208 O LYS A 18 -2.705 -0.260 -4.547 1.00 0.00 O ATOM 209 CB LYS A 18 -0.753 -0.556 -1.789 1.00 0.00 C ATOM 210 CG LYS A 18 -1.600 -0.592 -0.529 1.00 0.00 C ATOM 211 CD LYS A 18 -0.750 -0.430 0.720 1.00 0.00 C ATOM 212 CE LYS A 18 -1.539 -0.755 1.978 1.00 0.00 C ATOM 213 NZ LYS A 18 -1.829 -2.212 2.090 1.00 0.00 N ATOM 0 H LYS A 18 -0.655 -1.053 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.536 -2.397 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.248 -0.917 -1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.650 0.478 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.346 0.202 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.142 -1.536 -0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.120 -1.083 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.377 0.593 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.978 -0.428 2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.476 -0.198 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.119 -2.434 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.595 -2.465 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.975 -2.755 1.851 1.00 0.00 H new ATOM 227 N ALA A 19 -3.656 -0.811 -2.584 1.00 0.00 N ATOM 228 CA ALA A 19 -4.955 -0.250 -2.931 1.00 0.00 C ATOM 229 C ALA A 19 -5.412 0.764 -1.887 1.00 0.00 C ATOM 230 O ALA A 19 -4.937 0.757 -0.751 1.00 0.00 O ATOM 231 CB ALA A 19 -5.987 -1.358 -3.079 1.00 0.00 C ATOM 0 H ALA A 19 -3.612 -1.229 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.855 0.268 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.953 -0.924 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.674 -2.044 -3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.075 -1.902 -2.138 1.00 0.00 H new ATOM 237 N PHE A 20 -6.335 1.636 -2.279 1.00 0.00 N ATOM 238 CA PHE A 20 -6.854 2.657 -1.377 1.00 0.00 C ATOM 239 C PHE A 20 -8.202 3.180 -1.866 1.00 0.00 C ATOM 240 O PHE A 20 -8.431 3.313 -3.068 1.00 0.00 O ATOM 241 CB PHE A 20 -5.860 3.814 -1.256 1.00 0.00 C ATOM 242 CG PHE A 20 -4.556 3.420 -0.622 1.00 0.00 C ATOM 243 CD1 PHE A 20 -4.389 3.493 0.751 1.00 0.00 C ATOM 244 CD2 PHE A 20 -3.499 2.976 -1.399 1.00 0.00 C ATOM 245 CE1 PHE A 20 -3.190 3.132 1.337 1.00 0.00 C ATOM 246 CE2 PHE A 20 -2.298 2.613 -0.819 1.00 0.00 C ATOM 247 CZ PHE A 20 -2.144 2.690 0.551 1.00 0.00 C ATOM 0 H PHE A 20 -6.739 1.656 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.994 2.203 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.664 4.220 -2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.314 4.612 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.204 3.836 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.615 2.913 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.071 3.196 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.481 2.270 -1.437 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.207 2.405 1.007 1.00 0.00 H new ATOM 257 N THR A 21 -9.093 3.474 -0.923 1.00 0.00 N ATOM 258 CA THR A 21 -10.418 3.980 -1.256 1.00 0.00 C ATOM 259 C THR A 21 -10.384 5.481 -1.520 1.00 0.00 C ATOM 260 O THR A 21 -11.153 5.997 -2.331 1.00 0.00 O ATOM 261 CB THR A 21 -11.429 3.691 -0.130 1.00 0.00 C ATOM 262 OG1 THR A 21 -11.474 2.285 0.139 1.00 0.00 O ATOM 263 CG2 THR A 21 -12.817 4.186 -0.508 1.00 0.00 C ATOM 0 H THR A 21 -8.920 3.370 0.077 1.00 0.00 H new ATOM 0 HA THR A 21 -10.735 3.462 -2.161 1.00 0.00 H new ATOM 0 HB THR A 21 -11.104 4.221 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.118 2.110 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.513 3.971 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.785 5.261 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.149 3.681 -1.415 1.00 0.00 H new ATOM 271 N PHE A 22 -9.486 6.177 -0.831 1.00 0.00 N ATOM 272 CA PHE A 22 -9.352 7.621 -0.991 1.00 0.00 C ATOM 273 C PHE A 22 -7.918 7.997 -1.351 1.00 0.00 C ATOM 274 O PHE A 22 -6.974 7.273 -1.031 1.00 0.00 O ATOM 275 CB PHE A 22 -9.772 8.339 0.294 1.00 0.00 C ATOM 276 CG PHE A 22 -11.259 8.492 0.435 1.00 0.00 C ATOM 277 CD1 PHE A 22 -11.950 9.416 -0.333 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.967 7.713 1.337 1.00 0.00 C ATOM 279 CE1 PHE A 22 -13.319 9.559 -0.205 1.00 0.00 C ATOM 280 CE2 PHE A 22 -13.335 7.852 1.469 1.00 0.00 C ATOM 281 CZ PHE A 22 -14.012 8.777 0.698 1.00 0.00 C ATOM 0 H PHE A 22 -8.841 5.765 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.007 7.934 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.388 7.786 1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.309 9.326 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.413 10.031 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.443 6.989 1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -13.846 10.281 -0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.875 7.238 2.175 1.00 0.00 H new ATOM 0 HZ PHE A 22 -15.081 8.888 0.801 1.00 0.00 H new ATOM 291 N LYS A 23 -7.761 9.134 -2.020 1.00 0.00 N ATOM 292 CA LYS A 23 -6.443 9.609 -2.425 1.00 0.00 C ATOM 293 C LYS A 23 -5.530 9.775 -1.214 1.00 0.00 C ATOM 294 O LYS A 23 -4.492 9.121 -1.113 1.00 0.00 O ATOM 295 CB LYS A 23 -6.565 10.938 -3.172 1.00 0.00 C ATOM 296 CG LYS A 23 -5.256 11.418 -3.776 1.00 0.00 C ATOM 297 CD LYS A 23 -5.081 10.914 -5.199 1.00 0.00 C ATOM 298 CE LYS A 23 -4.317 9.600 -5.234 1.00 0.00 C ATOM 299 NZ LYS A 23 -4.036 9.158 -6.629 1.00 0.00 N ATOM 0 H LYS A 23 -8.531 9.744 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.004 8.865 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.305 10.833 -3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.939 11.698 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.229 12.508 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.423 11.074 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.059 10.780 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.549 11.661 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.378 9.712 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.893 8.831 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.279 8.152 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.606 9.720 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.026 9.293 -6.839 1.00 0.00 H new ATOM 313 N SER A 24 -5.923 10.654 -0.298 1.00 0.00 N ATOM 314 CA SER A 24 -5.138 10.908 0.904 1.00 0.00 C ATOM 315 C SER A 24 -4.477 9.627 1.403 1.00 0.00 C ATOM 316 O SER A 24 -3.263 9.577 1.596 1.00 0.00 O ATOM 317 CB SER A 24 -6.025 11.499 2.002 1.00 0.00 C ATOM 318 OG SER A 24 -6.682 12.671 1.552 1.00 0.00 O ATOM 0 H SER A 24 -6.780 11.202 -0.365 1.00 0.00 H new ATOM 0 HA SER A 24 -4.356 11.625 0.653 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.764 10.761 2.313 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.419 11.732 2.877 1.00 0.00 H new ATOM 0 HG SER A 24 -7.244 13.028 2.271 1.00 0.00 H new ATOM 324 N GLN A 25 -5.287 8.592 1.608 1.00 0.00 N ATOM 325 CA GLN A 25 -4.781 7.310 2.085 1.00 0.00 C ATOM 326 C GLN A 25 -3.636 6.817 1.207 1.00 0.00 C ATOM 327 O GLN A 25 -2.651 6.268 1.704 1.00 0.00 O ATOM 328 CB GLN A 25 -5.905 6.273 2.109 1.00 0.00 C ATOM 329 CG GLN A 25 -7.157 6.749 2.827 1.00 0.00 C ATOM 330 CD GLN A 25 -8.181 5.645 3.008 1.00 0.00 C ATOM 331 OE1 GLN A 25 -8.432 4.859 2.093 1.00 0.00 O ATOM 332 NE2 GLN A 25 -8.780 5.581 4.191 1.00 0.00 N ATOM 0 H GLN A 25 -6.295 8.616 1.451 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.403 7.450 3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.163 6.006 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.541 5.366 2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.882 7.148 3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.606 7.567 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.541 6.253 4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.479 4.860 4.370 1.00 0.00 H new ATOM 341 N LEU A 26 -3.771 7.014 -0.100 1.00 0.00 N ATOM 342 CA LEU A 26 -2.747 6.589 -1.048 1.00 0.00 C ATOM 343 C LEU A 26 -1.520 7.492 -0.966 1.00 0.00 C ATOM 344 O LEU A 26 -0.395 7.050 -1.201 1.00 0.00 O ATOM 345 CB LEU A 26 -3.307 6.597 -2.471 1.00 0.00 C ATOM 346 CG LEU A 26 -2.297 6.345 -3.591 1.00 0.00 C ATOM 347 CD1 LEU A 26 -1.597 5.010 -3.388 1.00 0.00 C ATOM 348 CD2 LEU A 26 -2.983 6.388 -4.948 1.00 0.00 C ATOM 0 H LEU A 26 -4.580 7.465 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.446 5.574 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.089 5.840 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.782 7.562 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.546 7.134 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.882 4.848 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.072 5.016 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.335 4.208 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.249 6.207 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.756 5.620 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.437 7.368 -5.095 1.00 0.00 H new ATOM 360 N ILE A 27 -1.745 8.757 -0.629 1.00 0.00 N ATOM 361 CA ILE A 27 -0.658 9.721 -0.513 1.00 0.00 C ATOM 362 C ILE A 27 0.278 9.358 0.635 1.00 0.00 C ATOM 363 O ILE A 27 1.500 9.426 0.500 1.00 0.00 O ATOM 364 CB ILE A 27 -1.192 11.149 -0.293 1.00 0.00 C ATOM 365 CG1 ILE A 27 -2.304 11.460 -1.296 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.063 12.161 -0.415 1.00 0.00 C ATOM 367 CD1 ILE A 27 -1.932 11.148 -2.728 1.00 0.00 C ATOM 0 H ILE A 27 -2.670 9.138 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.107 9.689 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.606 11.216 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.194 10.890 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.567 12.515 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.456 13.165 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.699 11.948 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.378 12.096 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.768 11.393 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.061 11.738 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.698 10.087 -2.820 1.00 0.00 H new ATOM 379 N VAL A 28 -0.303 8.971 1.766 1.00 0.00 N ATOM 380 CA VAL A 28 0.478 8.594 2.938 1.00 0.00 C ATOM 381 C VAL A 28 1.331 7.362 2.656 1.00 0.00 C ATOM 382 O VAL A 28 2.479 7.275 3.092 1.00 0.00 O ATOM 383 CB VAL A 28 -0.429 8.311 4.150 1.00 0.00 C ATOM 384 CG1 VAL A 28 0.407 7.977 5.376 1.00 0.00 C ATOM 385 CG2 VAL A 28 -1.338 9.500 4.423 1.00 0.00 C ATOM 0 H VAL A 28 -1.313 8.910 1.895 1.00 0.00 H new ATOM 0 HA VAL A 28 1.128 9.437 3.170 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.055 7.449 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.251 7.780 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.013 7.093 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.059 8.818 5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.972 9.283 5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.732 10.381 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.962 9.689 3.550 1.00 0.00 H new ATOM 395 N HIS A 29 0.761 6.409 1.924 1.00 0.00 N ATOM 396 CA HIS A 29 1.470 5.181 1.583 1.00 0.00 C ATOM 397 C HIS A 29 2.504 5.435 0.491 1.00 0.00 C ATOM 398 O HIS A 29 3.518 4.742 0.407 1.00 0.00 O ATOM 399 CB HIS A 29 0.481 4.108 1.125 1.00 0.00 C ATOM 400 CG HIS A 29 1.096 3.064 0.245 1.00 0.00 C ATOM 401 ND1 HIS A 29 1.602 1.875 0.727 1.00 0.00 N ATOM 402 CD2 HIS A 29 1.283 3.034 -1.096 1.00 0.00 C ATOM 403 CE1 HIS A 29 2.075 1.161 -0.279 1.00 0.00 C ATOM 404 NE2 HIS A 29 1.893 1.842 -1.396 1.00 0.00 N ATOM 0 H HIS A 29 -0.189 6.464 1.556 1.00 0.00 H new ATOM 0 HA HIS A 29 1.989 4.831 2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.050 3.625 2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.339 4.586 0.589 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.610 1.591 1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.004 3.805 -1.799 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.533 0.186 -0.201 1.00 0.00 H new ATOM 412 N LYS A 30 2.241 6.434 -0.345 1.00 0.00 N ATOM 413 CA LYS A 30 3.148 6.782 -1.432 1.00 0.00 C ATOM 414 C LYS A 30 4.371 7.525 -0.904 1.00 0.00 C ATOM 415 O LYS A 30 5.457 7.437 -1.475 1.00 0.00 O ATOM 416 CB LYS A 30 2.425 7.641 -2.472 1.00 0.00 C ATOM 417 CG LYS A 30 1.637 6.833 -3.488 1.00 0.00 C ATOM 418 CD LYS A 30 1.417 7.614 -4.772 1.00 0.00 C ATOM 419 CE LYS A 30 0.710 6.771 -5.823 1.00 0.00 C ATOM 420 NZ LYS A 30 0.155 7.607 -6.923 1.00 0.00 N ATOM 0 H LYS A 30 1.406 7.017 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 30 3.482 5.857 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.747 8.324 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.158 8.254 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.169 5.908 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.674 6.552 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.826 8.505 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.377 7.954 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.409 6.044 -6.237 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.096 6.206 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.319 6.996 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.532 8.284 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.927 8.126 -7.388 1.00 0.00 H new ATOM 434 N GLY A 31 4.186 8.256 0.191 1.00 0.00 N ATOM 435 CA GLY A 31 5.284 9.002 0.779 1.00 0.00 C ATOM 436 C GLY A 31 6.491 8.131 1.063 1.00 0.00 C ATOM 437 O GLY A 31 7.631 8.587 0.971 1.00 0.00 O ATOM 0 H GLY A 31 3.296 8.345 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.573 9.809 0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.948 9.466 1.707 1.00 0.00 H new ATOM 441 N VAL A 32 6.242 6.872 1.411 1.00 0.00 N ATOM 442 CA VAL A 32 7.318 5.935 1.710 1.00 0.00 C ATOM 443 C VAL A 32 8.321 5.865 0.564 1.00 0.00 C ATOM 444 O VAL A 32 9.527 5.760 0.787 1.00 0.00 O ATOM 445 CB VAL A 32 6.770 4.522 1.986 1.00 0.00 C ATOM 446 CG1 VAL A 32 5.592 4.583 2.946 1.00 0.00 C ATOM 447 CG2 VAL A 32 6.373 3.841 0.684 1.00 0.00 C ATOM 0 H VAL A 32 5.305 6.478 1.493 1.00 0.00 H new ATOM 0 HA VAL A 32 7.820 6.304 2.605 1.00 0.00 H new ATOM 0 HB VAL A 32 7.558 3.931 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.219 3.575 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.913 5.027 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.799 5.190 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.988 2.844 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.602 4.429 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.245 3.762 0.034 1.00 0.00 H new ATOM 457 N HIS A 33 7.813 5.924 -0.663 1.00 0.00 N ATOM 458 CA HIS A 33 8.665 5.868 -1.846 1.00 0.00 C ATOM 459 C HIS A 33 9.212 7.251 -2.187 1.00 0.00 C ATOM 460 O HIS A 33 10.398 7.407 -2.480 1.00 0.00 O ATOM 461 CB HIS A 33 7.886 5.308 -3.036 1.00 0.00 C ATOM 462 CG HIS A 33 6.931 4.215 -2.665 1.00 0.00 C ATOM 463 ND1 HIS A 33 7.338 2.999 -2.158 1.00 0.00 N ATOM 464 CD2 HIS A 33 5.580 4.161 -2.729 1.00 0.00 C ATOM 465 CE1 HIS A 33 6.279 2.244 -1.927 1.00 0.00 C ATOM 466 NE2 HIS A 33 5.200 2.926 -2.265 1.00 0.00 N ATOM 0 H HIS A 33 6.817 6.010 -0.864 1.00 0.00 H new ATOM 0 HA HIS A 33 9.504 5.208 -1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.332 6.118 -3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.591 4.928 -3.775 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.306 2.725 -1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.923 4.944 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.293 1.240 -1.529 1.00 0.00 H new ATOM 474 N THR A 34 8.340 8.254 -2.147 1.00 0.00 N ATOM 475 CA THR A 34 8.735 9.623 -2.453 1.00 0.00 C ATOM 476 C THR A 34 10.077 9.964 -1.816 1.00 0.00 C ATOM 477 O THR A 34 10.253 9.827 -0.606 1.00 0.00 O ATOM 478 CB THR A 34 7.678 10.634 -1.970 1.00 0.00 C ATOM 479 OG1 THR A 34 7.575 10.591 -0.543 1.00 0.00 O ATOM 480 CG2 THR A 34 6.321 10.336 -2.590 1.00 0.00 C ATOM 0 H THR A 34 7.355 8.143 -1.906 1.00 0.00 H new ATOM 0 HA THR A 34 8.823 9.691 -3.537 1.00 0.00 H new ATOM 0 HB THR A 34 7.992 11.630 -2.282 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.010 9.779 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.591 11.063 -2.234 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.395 10.398 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.003 9.333 -2.305 1.00 0.00 H new ATOM 488 N GLY A 35 11.021 10.411 -2.638 1.00 0.00 N ATOM 489 CA GLY A 35 12.335 10.765 -2.135 1.00 0.00 C ATOM 490 C GLY A 35 13.393 9.745 -2.506 1.00 0.00 C ATOM 491 O GLY A 35 14.129 9.927 -3.476 1.00 0.00 O ATOM 0 H GLY A 35 10.899 10.534 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.621 11.740 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.292 10.860 -1.050 1.00 0.00 H new ATOM 495 N VAL A 36 13.471 8.667 -1.732 1.00 0.00 N ATOM 496 CA VAL A 36 14.446 7.613 -1.984 1.00 0.00 C ATOM 497 C VAL A 36 14.331 7.087 -3.410 1.00 0.00 C ATOM 498 O VAL A 36 13.233 6.813 -3.896 1.00 0.00 O ATOM 499 CB VAL A 36 14.273 6.441 -1.000 1.00 0.00 C ATOM 500 CG1 VAL A 36 15.265 5.330 -1.313 1.00 0.00 C ATOM 501 CG2 VAL A 36 14.434 6.922 0.434 1.00 0.00 C ATOM 0 H VAL A 36 12.870 8.501 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 36 15.433 8.054 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 36 13.266 6.039 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.128 4.510 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.097 4.968 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.281 5.715 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.309 6.081 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.428 7.350 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.681 7.680 0.650 1.00 0.00 H new ATOM 511 N LYS A 37 15.471 6.946 -4.077 1.00 0.00 N ATOM 512 CA LYS A 37 15.500 6.450 -5.448 1.00 0.00 C ATOM 513 C LYS A 37 16.711 5.551 -5.676 1.00 0.00 C ATOM 514 O LYS A 37 17.771 5.734 -5.078 1.00 0.00 O ATOM 515 CB LYS A 37 15.526 7.619 -6.435 1.00 0.00 C ATOM 516 CG LYS A 37 14.171 8.273 -6.640 1.00 0.00 C ATOM 517 CD LYS A 37 14.220 9.328 -7.732 1.00 0.00 C ATOM 518 CE LYS A 37 12.829 9.833 -8.083 1.00 0.00 C ATOM 519 NZ LYS A 37 12.114 8.899 -8.996 1.00 0.00 N ATOM 0 H LYS A 37 16.388 7.168 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 37 14.597 5.862 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.232 8.369 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.898 7.264 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.435 7.513 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.841 8.729 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.839 10.163 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.692 8.911 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.249 9.963 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.906 10.813 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.170 9.279 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.655 8.794 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.017 7.971 -8.537 1.00 0.00 H new ATOM 533 N PRO A 38 16.552 4.556 -6.562 1.00 0.00 N ATOM 534 CA PRO A 38 17.623 3.611 -6.891 1.00 0.00 C ATOM 535 C PRO A 38 18.752 4.265 -7.679 1.00 0.00 C ATOM 536 O PRO A 38 18.748 4.257 -8.910 1.00 0.00 O ATOM 537 CB PRO A 38 16.915 2.556 -7.745 1.00 0.00 C ATOM 538 CG PRO A 38 15.750 3.270 -8.338 1.00 0.00 C ATOM 539 CD PRO A 38 15.316 4.279 -7.312 1.00 0.00 C ATOM 0 HA PRO A 38 18.099 3.207 -5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.575 2.164 -8.519 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.594 1.708 -7.141 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.026 3.758 -9.273 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.942 2.575 -8.568 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.918 5.180 -7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.533 3.883 -6.665 1.00 0.00 H new ATOM 547 N SER A 39 19.719 4.829 -6.962 1.00 0.00 N ATOM 548 CA SER A 39 20.853 5.491 -7.596 1.00 0.00 C ATOM 549 C SER A 39 21.554 4.551 -8.572 1.00 0.00 C ATOM 550 O SER A 39 21.710 3.361 -8.303 1.00 0.00 O ATOM 551 CB SER A 39 21.845 5.976 -6.536 1.00 0.00 C ATOM 552 OG SER A 39 22.682 6.997 -7.050 1.00 0.00 O ATOM 0 H SER A 39 19.740 4.841 -5.942 1.00 0.00 H new ATOM 0 HA SER A 39 20.477 6.350 -8.152 1.00 0.00 H new ATOM 0 HB2 SER A 39 21.301 6.350 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.455 5.140 -6.194 1.00 0.00 H new ATOM 0 HG SER A 39 23.305 7.291 -6.353 1.00 0.00 H new ATOM 558 N GLY A 40 21.975 5.097 -9.710 1.00 0.00 N ATOM 559 CA GLY A 40 22.655 4.294 -10.710 1.00 0.00 C ATOM 560 C GLY A 40 22.939 5.071 -11.981 1.00 0.00 C ATOM 561 O GLY A 40 22.444 6.181 -12.179 1.00 0.00 O ATOM 0 H GLY A 40 21.857 6.080 -9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 40 23.593 3.923 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.045 3.423 -10.949 1.00 0.00 H new ATOM 565 N PRO A 41 23.755 4.483 -12.868 1.00 0.00 N ATOM 566 CA PRO A 41 24.124 5.110 -14.141 1.00 0.00 C ATOM 567 C PRO A 41 22.952 5.176 -15.115 1.00 0.00 C ATOM 568 O PRO A 41 22.083 4.305 -15.115 1.00 0.00 O ATOM 569 CB PRO A 41 25.220 4.190 -14.684 1.00 0.00 C ATOM 570 CG PRO A 41 24.950 2.866 -14.057 1.00 0.00 C ATOM 571 CD PRO A 41 24.381 3.161 -12.697 1.00 0.00 C ATOM 0 HA PRO A 41 24.443 6.144 -14.010 1.00 0.00 H new ATOM 0 HB2 PRO A 41 25.182 4.128 -15.772 1.00 0.00 H new ATOM 0 HB3 PRO A 41 26.212 4.558 -14.421 1.00 0.00 H new ATOM 0 HG2 PRO A 41 24.248 2.286 -14.656 1.00 0.00 H new ATOM 0 HG3 PRO A 41 25.864 2.278 -13.978 1.00 0.00 H new ATOM 0 HD2 PRO A 41 23.653 2.408 -12.394 1.00 0.00 H new ATOM 0 HD3 PRO A 41 25.157 3.180 -11.932 1.00 0.00 H new ATOM 579 N SER A 42 22.936 6.215 -15.944 1.00 0.00 N ATOM 580 CA SER A 42 21.870 6.396 -16.922 1.00 0.00 C ATOM 581 C SER A 42 20.522 5.983 -16.338 1.00 0.00 C ATOM 582 O SER A 42 19.720 5.327 -17.003 1.00 0.00 O ATOM 583 CB SER A 42 22.162 5.583 -18.184 1.00 0.00 C ATOM 584 OG SER A 42 22.234 4.198 -17.894 1.00 0.00 O ATOM 0 H SER A 42 23.649 6.944 -15.958 1.00 0.00 H new ATOM 0 HA SER A 42 21.826 7.453 -17.183 1.00 0.00 H new ATOM 0 HB2 SER A 42 21.382 5.763 -18.924 1.00 0.00 H new ATOM 0 HB3 SER A 42 23.102 5.915 -18.624 1.00 0.00 H new ATOM 0 HG SER A 42 22.420 3.701 -18.718 1.00 0.00 H new ATOM 590 N SER A 43 20.281 6.371 -15.090 1.00 0.00 N ATOM 591 CA SER A 43 19.032 6.038 -14.414 1.00 0.00 C ATOM 592 C SER A 43 17.835 6.593 -15.179 1.00 0.00 C ATOM 593 O SER A 43 17.846 7.740 -15.624 1.00 0.00 O ATOM 594 CB SER A 43 19.039 6.587 -12.986 1.00 0.00 C ATOM 595 OG SER A 43 19.727 5.715 -12.107 1.00 0.00 O ATOM 0 H SER A 43 20.934 6.916 -14.526 1.00 0.00 H new ATOM 0 HA SER A 43 18.945 4.952 -14.378 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.512 7.569 -12.973 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.014 6.722 -12.640 1.00 0.00 H new ATOM 0 HG SER A 43 20.681 5.940 -12.103 1.00 0.00 H new ATOM 601 N GLY A 44 16.802 5.770 -15.328 1.00 0.00 N ATOM 602 CA GLY A 44 15.611 6.195 -16.040 1.00 0.00 C ATOM 603 C GLY A 44 14.403 6.309 -15.132 1.00 0.00 C ATOM 604 O GLY A 44 14.111 5.363 -14.402 1.00 0.00 O ATOM 0 H GLY A 44 16.769 4.816 -14.968 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.799 7.159 -16.513 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.396 5.485 -16.838 1.00 0.00 H new TER 608 GLY A 44 HETATM 609 ZN ZN A 201 3.541 1.708 -2.630 1.00 0.00 ZN