USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 307 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 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 200 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 53:sc= 0.827 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 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0865) USER MOD Single : A 27 ASN : amide:sc= -0.889 K(o=-0.89,f=-1.5) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.2) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 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 30:sc= 0.0459 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.227 -20.632 -18.480 1.00 0.00 N ATOM 2 CA GLY A 1 -14.417 -20.156 -17.374 1.00 0.00 C ATOM 3 C GLY A 1 -15.114 -19.079 -16.566 1.00 0.00 C ATOM 4 O GLY A 1 -14.517 -18.052 -16.242 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.706 -21.366 -19.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.115 -21.031 -18.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.441 -19.840 -19.119 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.171 -20.993 -16.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.475 -19.765 -17.759 1.00 0.00 H new ATOM 8 N SER A 2 -16.382 -19.312 -16.242 1.00 0.00 N ATOM 9 CA SER A 2 -17.163 -18.351 -15.472 1.00 0.00 C ATOM 10 C SER A 2 -17.171 -18.719 -13.991 1.00 0.00 C ATOM 11 O SER A 2 -17.899 -19.616 -13.567 1.00 0.00 O ATOM 12 CB SER A 2 -18.597 -18.288 -16.001 1.00 0.00 C ATOM 13 OG SER A 2 -19.165 -17.008 -15.782 1.00 0.00 O ATOM 0 H SER A 2 -16.890 -20.158 -16.501 1.00 0.00 H new ATOM 0 HA SER A 2 -16.699 -17.371 -15.582 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.605 -18.516 -17.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.204 -19.048 -15.508 1.00 0.00 H new ATOM 0 HG SER A 2 -20.081 -16.993 -16.130 1.00 0.00 H new ATOM 19 N SER A 3 -16.354 -18.020 -13.210 1.00 0.00 N ATOM 20 CA SER A 3 -16.263 -18.275 -11.777 1.00 0.00 C ATOM 21 C SER A 3 -15.497 -17.158 -11.074 1.00 0.00 C ATOM 22 O SER A 3 -14.693 -16.459 -11.689 1.00 0.00 O ATOM 23 CB SER A 3 -15.579 -19.619 -11.519 1.00 0.00 C ATOM 24 OG SER A 3 -14.174 -19.514 -11.673 1.00 0.00 O ATOM 0 H SER A 3 -15.746 -17.273 -13.545 1.00 0.00 H new ATOM 0 HA SER A 3 -17.275 -18.307 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.813 -19.962 -10.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.969 -20.367 -12.209 1.00 0.00 H new ATOM 0 HG SER A 3 -13.760 -20.386 -11.501 1.00 0.00 H new ATOM 30 N GLY A 4 -15.754 -16.996 -9.780 1.00 0.00 N ATOM 31 CA GLY A 4 -15.081 -15.963 -9.013 1.00 0.00 C ATOM 32 C GLY A 4 -15.435 -14.567 -9.486 1.00 0.00 C ATOM 33 O GLY A 4 -14.554 -13.732 -9.689 1.00 0.00 O ATOM 0 H GLY A 4 -16.416 -17.561 -9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.346 -16.065 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.003 -16.105 -9.085 1.00 0.00 H new ATOM 37 N SER A 5 -16.728 -14.314 -9.664 1.00 0.00 N ATOM 38 CA SER A 5 -17.196 -13.011 -10.122 1.00 0.00 C ATOM 39 C SER A 5 -17.484 -12.092 -8.939 1.00 0.00 C ATOM 40 O SER A 5 -18.636 -11.918 -8.540 1.00 0.00 O ATOM 41 CB SER A 5 -18.453 -13.170 -10.978 1.00 0.00 C ATOM 42 OG SER A 5 -19.507 -13.756 -10.234 1.00 0.00 O ATOM 0 H SER A 5 -17.470 -14.994 -9.498 1.00 0.00 H new ATOM 0 HA SER A 5 -16.409 -12.560 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.767 -12.196 -11.353 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.229 -13.789 -11.847 1.00 0.00 H new ATOM 0 HG SER A 5 -19.650 -13.244 -9.411 1.00 0.00 H new ATOM 48 N SER A 6 -16.429 -11.504 -8.383 1.00 0.00 N ATOM 49 CA SER A 6 -16.567 -10.605 -7.244 1.00 0.00 C ATOM 50 C SER A 6 -16.065 -9.207 -7.591 1.00 0.00 C ATOM 51 O SER A 6 -14.862 -8.978 -7.705 1.00 0.00 O ATOM 52 CB SER A 6 -15.797 -11.151 -6.040 1.00 0.00 C ATOM 53 OG SER A 6 -16.061 -10.387 -4.876 1.00 0.00 O ATOM 0 H SER A 6 -15.469 -11.634 -8.703 1.00 0.00 H new ATOM 0 HA SER A 6 -17.625 -10.540 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.076 -12.191 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.728 -11.139 -6.252 1.00 0.00 H new ATOM 0 HG SER A 6 -15.558 -10.757 -4.121 1.00 0.00 H new ATOM 59 N GLY A 7 -16.998 -8.274 -7.759 1.00 0.00 N ATOM 60 CA GLY A 7 -16.632 -6.910 -8.092 1.00 0.00 C ATOM 61 C GLY A 7 -15.427 -6.426 -7.310 1.00 0.00 C ATOM 62 O GLY A 7 -14.299 -6.466 -7.804 1.00 0.00 O ATOM 0 H GLY A 7 -18.001 -8.439 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.419 -6.844 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.478 -6.252 -7.895 1.00 0.00 H new ATOM 66 N THR A 8 -15.664 -5.965 -6.086 1.00 0.00 N ATOM 67 CA THR A 8 -14.590 -5.468 -5.235 1.00 0.00 C ATOM 68 C THR A 8 -14.281 -6.449 -4.111 1.00 0.00 C ATOM 69 O THR A 8 -15.150 -6.777 -3.303 1.00 0.00 O ATOM 70 CB THR A 8 -14.945 -4.099 -4.624 1.00 0.00 C ATOM 71 OG1 THR A 8 -15.244 -3.161 -5.664 1.00 0.00 O ATOM 72 CG2 THR A 8 -13.800 -3.573 -3.773 1.00 0.00 C ATOM 0 H THR A 8 -16.591 -5.925 -5.662 1.00 0.00 H new ATOM 0 HA THR A 8 -13.710 -5.357 -5.869 1.00 0.00 H new ATOM 0 HB THR A 8 -15.821 -4.226 -3.987 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.470 -2.294 -5.267 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.074 -2.605 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.595 -4.275 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.909 -3.461 -4.391 1.00 0.00 H new ATOM 80 N GLY A 9 -13.037 -6.915 -4.063 1.00 0.00 N ATOM 81 CA GLY A 9 -12.635 -7.854 -3.032 1.00 0.00 C ATOM 82 C GLY A 9 -11.131 -8.033 -2.965 1.00 0.00 C ATOM 83 O GLY A 9 -10.450 -7.329 -2.220 1.00 0.00 O ATOM 0 H GLY A 9 -12.300 -6.659 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.000 -7.506 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.105 -8.819 -3.221 1.00 0.00 H new ATOM 87 N GLU A 10 -10.614 -8.978 -3.743 1.00 0.00 N ATOM 88 CA GLU A 10 -9.181 -9.248 -3.765 1.00 0.00 C ATOM 89 C GLU A 10 -8.421 -8.100 -4.423 1.00 0.00 C ATOM 90 O GLU A 10 -9.021 -7.148 -4.921 1.00 0.00 O ATOM 91 CB GLU A 10 -8.897 -10.555 -4.509 1.00 0.00 C ATOM 92 CG GLU A 10 -9.128 -11.798 -3.666 1.00 0.00 C ATOM 93 CD GLU A 10 -8.788 -13.077 -4.406 1.00 0.00 C ATOM 94 OE1 GLU A 10 -7.739 -13.108 -5.084 1.00 0.00 O ATOM 95 OE2 GLU A 10 -9.569 -14.046 -4.308 1.00 0.00 O ATOM 0 H GLU A 10 -11.165 -9.569 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.839 -9.343 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.530 -10.604 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.864 -10.549 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.525 -11.735 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.171 -11.831 -3.352 1.00 0.00 H new ATOM 102 N LYS A 11 -7.096 -8.198 -4.422 1.00 0.00 N ATOM 103 CA LYS A 11 -6.252 -7.170 -5.019 1.00 0.00 C ATOM 104 C LYS A 11 -5.519 -7.710 -6.242 1.00 0.00 C ATOM 105 O LYS A 11 -4.602 -8.525 -6.137 1.00 0.00 O ATOM 106 CB LYS A 11 -5.241 -6.652 -3.993 1.00 0.00 C ATOM 107 CG LYS A 11 -5.869 -6.246 -2.671 1.00 0.00 C ATOM 108 CD LYS A 11 -4.903 -6.434 -1.513 1.00 0.00 C ATOM 109 CE LYS A 11 -5.296 -5.584 -0.315 1.00 0.00 C ATOM 110 NZ LYS A 11 -6.395 -6.209 0.472 1.00 0.00 N ATOM 0 H LYS A 11 -6.583 -8.980 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.893 -6.348 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.495 -7.425 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.715 -5.795 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.180 -5.203 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.767 -6.839 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.881 -7.485 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.895 -6.170 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.427 -5.438 0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.610 -4.598 -0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.634 -5.599 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.233 -6.326 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.087 -7.139 0.820 1.00 0.00 H new ATOM 124 N PRO A 12 -5.930 -7.246 -7.432 1.00 0.00 N ATOM 125 CA PRO A 12 -5.325 -7.669 -8.698 1.00 0.00 C ATOM 126 C PRO A 12 -3.907 -7.134 -8.870 1.00 0.00 C ATOM 127 O PRO A 12 -3.051 -7.793 -9.461 1.00 0.00 O ATOM 128 CB PRO A 12 -6.255 -7.066 -9.755 1.00 0.00 C ATOM 129 CG PRO A 12 -6.884 -5.896 -9.082 1.00 0.00 C ATOM 130 CD PRO A 12 -7.018 -6.274 -7.632 1.00 0.00 C ATOM 0 HA PRO A 12 -5.230 -8.753 -8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.701 -6.761 -10.643 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.005 -7.787 -10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.270 -5.003 -9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.857 -5.672 -9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.909 -5.408 -6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.993 -6.712 -7.419 1.00 0.00 H new ATOM 138 N TYR A 13 -3.665 -5.936 -8.349 1.00 0.00 N ATOM 139 CA TYR A 13 -2.351 -5.312 -8.446 1.00 0.00 C ATOM 140 C TYR A 13 -1.410 -5.852 -7.374 1.00 0.00 C ATOM 141 O TYR A 13 -1.707 -5.785 -6.181 1.00 0.00 O ATOM 142 CB TYR A 13 -2.473 -3.793 -8.315 1.00 0.00 C ATOM 143 CG TYR A 13 -3.617 -3.206 -9.111 1.00 0.00 C ATOM 144 CD1 TYR A 13 -4.893 -3.116 -8.568 1.00 0.00 C ATOM 145 CD2 TYR A 13 -3.422 -2.742 -10.406 1.00 0.00 C ATOM 146 CE1 TYR A 13 -5.941 -2.582 -9.292 1.00 0.00 C ATOM 147 CE2 TYR A 13 -4.464 -2.205 -11.137 1.00 0.00 C ATOM 148 CZ TYR A 13 -5.722 -2.128 -10.576 1.00 0.00 C ATOM 149 OH TYR A 13 -6.763 -1.594 -11.300 1.00 0.00 O ATOM 0 H TYR A 13 -4.362 -5.378 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.935 -5.553 -9.424 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.604 -3.537 -7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.540 -3.333 -8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.068 -3.470 -7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.439 -2.802 -10.849 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.927 -2.520 -8.855 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.295 -1.847 -12.142 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.440 -1.321 -12.184 1.00 0.00 H new ATOM 159 N ARG A 14 -0.273 -6.387 -7.807 1.00 0.00 N ATOM 160 CA ARG A 14 0.712 -6.939 -6.885 1.00 0.00 C ATOM 161 C ARG A 14 2.096 -6.358 -7.157 1.00 0.00 C ATOM 162 O ARG A 14 2.627 -6.481 -8.261 1.00 0.00 O ATOM 163 CB ARG A 14 0.754 -8.464 -7.004 1.00 0.00 C ATOM 164 CG ARG A 14 1.114 -9.166 -5.706 1.00 0.00 C ATOM 165 CD ARG A 14 0.900 -10.668 -5.807 1.00 0.00 C ATOM 166 NE ARG A 14 -0.513 -11.027 -5.718 1.00 0.00 N ATOM 167 CZ ARG A 14 -0.945 -12.260 -5.479 1.00 0.00 C ATOM 168 NH1 ARG A 14 -0.077 -13.248 -5.306 1.00 0.00 N ATOM 169 NH2 ARG A 14 -2.247 -12.508 -5.413 1.00 0.00 N ATOM 0 H ARG A 14 -0.011 -6.450 -8.791 1.00 0.00 H new ATOM 0 HA ARG A 14 0.416 -6.669 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.219 -8.821 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.479 -8.740 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.155 -8.962 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.508 -8.765 -4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.307 -11.029 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.452 -11.167 -5.010 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.206 -10.290 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.925 -13.062 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.411 -14.194 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.918 -11.751 -5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.577 -13.456 -5.229 1.00 0.00 H new ATOM 183 N CYS A 15 2.676 -5.725 -6.143 1.00 0.00 N ATOM 184 CA CYS A 15 3.998 -5.124 -6.271 1.00 0.00 C ATOM 185 C CYS A 15 4.985 -6.108 -6.890 1.00 0.00 C ATOM 186 O CYS A 15 4.828 -7.322 -6.766 1.00 0.00 O ATOM 187 CB CYS A 15 4.507 -4.665 -4.903 1.00 0.00 C ATOM 188 SG CYS A 15 6.286 -4.275 -4.865 1.00 0.00 S ATOM 0 H CYS A 15 2.251 -5.615 -5.222 1.00 0.00 H new ATOM 0 HA CYS A 15 3.915 -4.259 -6.929 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.946 -3.783 -4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.301 -5.445 -4.170 1.00 0.00 H new ATOM 193 N GLY A 16 6.004 -5.575 -7.558 1.00 0.00 N ATOM 194 CA GLY A 16 7.002 -6.421 -8.186 1.00 0.00 C ATOM 195 C GLY A 16 8.260 -6.552 -7.350 1.00 0.00 C ATOM 196 O GLY A 16 8.928 -7.585 -7.382 1.00 0.00 O ATOM 0 H GLY A 16 6.156 -4.573 -7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.579 -7.411 -8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.259 -6.011 -9.162 1.00 0.00 H new ATOM 200 N GLU A 17 8.584 -5.503 -6.602 1.00 0.00 N ATOM 201 CA GLU A 17 9.772 -5.506 -5.756 1.00 0.00 C ATOM 202 C GLU A 17 9.671 -6.584 -4.681 1.00 0.00 C ATOM 203 O GLU A 17 10.408 -7.571 -4.704 1.00 0.00 O ATOM 204 CB GLU A 17 9.964 -4.136 -5.103 1.00 0.00 C ATOM 205 CG GLU A 17 11.408 -3.829 -4.746 1.00 0.00 C ATOM 206 CD GLU A 17 12.380 -4.246 -5.833 1.00 0.00 C ATOM 207 OE1 GLU A 17 12.033 -4.102 -7.024 1.00 0.00 O ATOM 208 OE2 GLU A 17 13.486 -4.716 -5.493 1.00 0.00 O ATOM 0 H GLU A 17 8.041 -4.640 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 17 10.635 -5.724 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.594 -3.365 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.357 -4.085 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.513 -2.760 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.665 -4.340 -3.818 1.00 0.00 H new ATOM 215 N CYS A 18 8.754 -6.389 -3.739 1.00 0.00 N ATOM 216 CA CYS A 18 8.556 -7.342 -2.654 1.00 0.00 C ATOM 217 C CYS A 18 7.487 -8.368 -3.020 1.00 0.00 C ATOM 218 O CYS A 18 7.641 -9.560 -2.759 1.00 0.00 O ATOM 219 CB CYS A 18 8.159 -6.611 -1.371 1.00 0.00 C ATOM 220 SG CYS A 18 6.610 -5.661 -1.505 1.00 0.00 S ATOM 0 H CYS A 18 8.136 -5.578 -3.706 1.00 0.00 H new ATOM 0 HA CYS A 18 9.497 -7.867 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.057 -7.340 -0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.965 -5.934 -1.087 1.00 0.00 H new ATOM 225 N GLY A 19 6.403 -7.894 -3.626 1.00 0.00 N ATOM 226 CA GLY A 19 5.324 -8.782 -4.018 1.00 0.00 C ATOM 227 C GLY A 19 4.023 -8.464 -3.307 1.00 0.00 C ATOM 228 O GLY A 19 3.102 -9.280 -3.287 1.00 0.00 O ATOM 0 H GLY A 19 6.253 -6.911 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.172 -8.711 -5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.609 -9.812 -3.803 1.00 0.00 H new ATOM 232 N LYS A 20 3.948 -7.274 -2.720 1.00 0.00 N ATOM 233 CA LYS A 20 2.751 -6.848 -2.005 1.00 0.00 C ATOM 234 C LYS A 20 1.553 -6.768 -2.946 1.00 0.00 C ATOM 235 O LYS A 20 1.661 -7.083 -4.130 1.00 0.00 O ATOM 236 CB LYS A 20 2.985 -5.488 -1.343 1.00 0.00 C ATOM 237 CG LYS A 20 3.485 -5.585 0.088 1.00 0.00 C ATOM 238 CD LYS A 20 3.093 -4.363 0.900 1.00 0.00 C ATOM 239 CE LYS A 20 1.619 -4.393 1.277 1.00 0.00 C ATOM 240 NZ LYS A 20 1.247 -3.249 2.154 1.00 0.00 N ATOM 0 H LYS A 20 4.702 -6.588 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 20 2.536 -7.589 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.708 -4.925 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.053 -4.922 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.077 -6.481 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.570 -5.691 0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.700 -4.316 1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.305 -3.461 0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.012 -4.369 0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.394 -5.330 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.235 -3.306 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.808 -3.286 3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.438 -2.355 1.658 1.00 0.00 H new ATOM 254 N ALA A 21 0.413 -6.345 -2.410 1.00 0.00 N ATOM 255 CA ALA A 21 -0.803 -6.220 -3.204 1.00 0.00 C ATOM 256 C ALA A 21 -1.647 -5.040 -2.734 1.00 0.00 C ATOM 257 O ALA A 21 -1.509 -4.577 -1.601 1.00 0.00 O ATOM 258 CB ALA A 21 -1.611 -7.508 -3.137 1.00 0.00 C ATOM 0 H ALA A 21 0.306 -6.083 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.514 -6.037 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.516 -7.401 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.014 -8.333 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.882 -7.714 -2.101 1.00 0.00 H new ATOM 264 N PHE A 22 -2.521 -4.557 -3.611 1.00 0.00 N ATOM 265 CA PHE A 22 -3.386 -3.429 -3.286 1.00 0.00 C ATOM 266 C PHE A 22 -4.623 -3.418 -4.179 1.00 0.00 C ATOM 267 O PHE A 22 -4.532 -3.637 -5.386 1.00 0.00 O ATOM 268 CB PHE A 22 -2.622 -2.112 -3.437 1.00 0.00 C ATOM 269 CG PHE A 22 -1.319 -2.086 -2.690 1.00 0.00 C ATOM 270 CD1 PHE A 22 -0.218 -2.780 -3.167 1.00 0.00 C ATOM 271 CD2 PHE A 22 -1.195 -1.369 -1.512 1.00 0.00 C ATOM 272 CE1 PHE A 22 0.983 -2.758 -2.482 1.00 0.00 C ATOM 273 CE2 PHE A 22 0.003 -1.342 -0.823 1.00 0.00 C ATOM 274 CZ PHE A 22 1.093 -2.039 -1.308 1.00 0.00 C ATOM 0 H PHE A 22 -2.649 -4.929 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.708 -3.537 -2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.429 -1.932 -4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.250 -1.294 -3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.299 -3.344 -4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.044 -0.824 -1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.834 -3.302 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.087 -0.777 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.029 -2.022 -0.770 1.00 0.00 H new ATOM 284 N ALA A 23 -5.779 -3.160 -3.575 1.00 0.00 N ATOM 285 CA ALA A 23 -7.034 -3.119 -4.315 1.00 0.00 C ATOM 286 C ALA A 23 -7.001 -2.040 -5.392 1.00 0.00 C ATOM 287 O ALA A 23 -7.495 -2.242 -6.501 1.00 0.00 O ATOM 288 CB ALA A 23 -8.199 -2.883 -3.365 1.00 0.00 C ATOM 0 H ALA A 23 -5.872 -2.976 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.169 -4.082 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.130 -2.855 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.243 -3.691 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.060 -1.934 -2.848 1.00 0.00 H new ATOM 294 N GLN A 24 -6.417 -0.894 -5.057 1.00 0.00 N ATOM 295 CA GLN A 24 -6.322 0.218 -5.996 1.00 0.00 C ATOM 296 C GLN A 24 -4.866 0.534 -6.319 1.00 0.00 C ATOM 297 O GLN A 24 -3.974 0.312 -5.499 1.00 0.00 O ATOM 298 CB GLN A 24 -7.011 1.457 -5.424 1.00 0.00 C ATOM 299 CG GLN A 24 -8.521 1.448 -5.596 1.00 0.00 C ATOM 300 CD GLN A 24 -9.238 0.799 -4.429 1.00 0.00 C ATOM 301 OE1 GLN A 24 -9.785 -0.298 -4.554 1.00 0.00 O ATOM 302 NE2 GLN A 24 -9.239 1.473 -3.285 1.00 0.00 N ATOM 0 H GLN A 24 -6.003 -0.711 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.824 -0.074 -6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.775 1.536 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.604 2.345 -5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.876 2.472 -5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.775 0.918 -6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.773 2.379 -3.226 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.705 1.085 -2.465 1.00 0.00 H new ATOM 311 N LYS A 25 -4.630 1.054 -7.519 1.00 0.00 N ATOM 312 CA LYS A 25 -3.282 1.403 -7.951 1.00 0.00 C ATOM 313 C LYS A 25 -2.702 2.514 -7.082 1.00 0.00 C ATOM 314 O LYS A 25 -1.598 2.390 -6.554 1.00 0.00 O ATOM 315 CB LYS A 25 -3.292 1.840 -9.418 1.00 0.00 C ATOM 316 CG LYS A 25 -3.116 0.692 -10.396 1.00 0.00 C ATOM 317 CD LYS A 25 -1.749 0.044 -10.256 1.00 0.00 C ATOM 318 CE LYS A 25 -0.642 1.085 -10.198 1.00 0.00 C ATOM 319 NZ LYS A 25 0.638 0.566 -10.755 1.00 0.00 N ATOM 0 H LYS A 25 -5.356 1.243 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.653 0.519 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.233 2.347 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.496 2.567 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.892 -0.054 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.243 1.058 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.725 -0.565 -9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.575 -0.627 -11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.947 1.971 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.489 1.395 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.427 1.154 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.780 -0.416 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.603 0.597 -11.794 1.00 0.00 H new ATOM 333 N ALA A 26 -3.455 3.600 -6.937 1.00 0.00 N ATOM 334 CA ALA A 26 -3.017 4.731 -6.129 1.00 0.00 C ATOM 335 C ALA A 26 -2.443 4.264 -4.796 1.00 0.00 C ATOM 336 O ALA A 26 -1.543 4.894 -4.242 1.00 0.00 O ATOM 337 CB ALA A 26 -4.172 5.695 -5.900 1.00 0.00 C ATOM 0 H ALA A 26 -4.371 3.720 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.228 5.250 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.830 6.535 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.535 6.063 -6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.979 5.179 -5.381 1.00 0.00 H new ATOM 343 N ASN A 27 -2.971 3.156 -4.285 1.00 0.00 N ATOM 344 CA ASN A 27 -2.511 2.605 -3.016 1.00 0.00 C ATOM 345 C ASN A 27 -1.199 1.847 -3.195 1.00 0.00 C ATOM 346 O ASN A 27 -0.380 1.776 -2.277 1.00 0.00 O ATOM 347 CB ASN A 27 -3.573 1.676 -2.425 1.00 0.00 C ATOM 348 CG ASN A 27 -3.532 1.641 -0.909 1.00 0.00 C ATOM 349 OD1 ASN A 27 -3.532 0.571 -0.301 1.00 0.00 O ATOM 350 ND2 ASN A 27 -3.497 2.816 -0.291 1.00 0.00 N ATOM 0 H ASN A 27 -3.718 2.623 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.340 3.434 -2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.560 2.003 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.427 0.668 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.469 2.856 0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.498 3.679 -0.835 1.00 0.00 H new ATOM 357 N LEU A 28 -1.005 1.283 -4.382 1.00 0.00 N ATOM 358 CA LEU A 28 0.208 0.531 -4.683 1.00 0.00 C ATOM 359 C LEU A 28 1.344 1.466 -5.083 1.00 0.00 C ATOM 360 O LEU A 28 2.435 1.417 -4.514 1.00 0.00 O ATOM 361 CB LEU A 28 -0.058 -0.477 -5.803 1.00 0.00 C ATOM 362 CG LEU A 28 1.161 -0.910 -6.619 1.00 0.00 C ATOM 363 CD1 LEU A 28 2.092 -1.766 -5.774 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.726 -1.663 -7.868 1.00 0.00 C ATOM 0 H LEU A 28 -1.672 1.332 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 28 0.506 -0.006 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.511 -1.366 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.793 -0.048 -6.484 1.00 0.00 H new ATOM 0 HG LEU A 28 1.704 -0.017 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.954 -2.065 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.430 -1.193 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.561 -2.655 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.606 -1.964 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.160 -2.549 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.100 -1.017 -8.483 1.00 0.00 H new ATOM 376 N THR A 29 1.081 2.321 -6.067 1.00 0.00 N ATOM 377 CA THR A 29 2.080 3.269 -6.543 1.00 0.00 C ATOM 378 C THR A 29 2.759 3.983 -5.380 1.00 0.00 C ATOM 379 O THR A 29 3.969 4.205 -5.399 1.00 0.00 O ATOM 380 CB THR A 29 1.455 4.320 -7.481 1.00 0.00 C ATOM 381 OG1 THR A 29 1.054 3.703 -8.710 1.00 0.00 O ATOM 382 CG2 THR A 29 2.440 5.442 -7.769 1.00 0.00 C ATOM 0 H THR A 29 0.184 2.376 -6.550 1.00 0.00 H new ATOM 0 HA THR A 29 2.823 2.694 -7.096 1.00 0.00 H new ATOM 0 HB THR A 29 0.581 4.743 -6.985 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.656 4.377 -9.300 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.976 6.172 -8.433 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.721 5.928 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.330 5.031 -8.246 1.00 0.00 H new ATOM 390 N GLN A 30 1.972 4.340 -4.370 1.00 0.00 N ATOM 391 CA GLN A 30 2.499 5.029 -3.198 1.00 0.00 C ATOM 392 C GLN A 30 3.390 4.103 -2.377 1.00 0.00 C ATOM 393 O GLN A 30 4.286 4.557 -1.664 1.00 0.00 O ATOM 394 CB GLN A 30 1.354 5.555 -2.332 1.00 0.00 C ATOM 395 CG GLN A 30 0.621 4.466 -1.565 1.00 0.00 C ATOM 396 CD GLN A 30 -0.200 5.014 -0.415 1.00 0.00 C ATOM 397 OE1 GLN A 30 -1.186 5.722 -0.623 1.00 0.00 O ATOM 398 NE2 GLN A 30 0.202 4.688 0.808 1.00 0.00 N ATOM 0 H GLN A 30 0.968 4.164 -4.340 1.00 0.00 H new ATOM 0 HA GLN A 30 3.101 5.870 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.750 6.283 -1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.642 6.083 -2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.033 3.924 -2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.345 3.748 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.025 4.099 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.312 5.027 1.621 1.00 0.00 H new ATOM 407 N HIS A 31 3.139 2.802 -2.482 1.00 0.00 N ATOM 408 CA HIS A 31 3.919 1.811 -1.748 1.00 0.00 C ATOM 409 C HIS A 31 5.290 1.617 -2.389 1.00 0.00 C ATOM 410 O HIS A 31 6.299 1.508 -1.694 1.00 0.00 O ATOM 411 CB HIS A 31 3.172 0.478 -1.699 1.00 0.00 C ATOM 412 CG HIS A 31 4.077 -0.714 -1.642 1.00 0.00 C ATOM 413 ND1 HIS A 31 4.458 -1.314 -0.460 1.00 0.00 N ATOM 414 CD2 HIS A 31 4.677 -1.419 -2.630 1.00 0.00 C ATOM 415 CE1 HIS A 31 5.253 -2.335 -0.723 1.00 0.00 C ATOM 416 NE2 HIS A 31 5.402 -2.420 -2.033 1.00 0.00 N ATOM 0 H HIS A 31 2.402 2.409 -3.068 1.00 0.00 H new ATOM 0 HA HIS A 31 4.061 2.176 -0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.518 0.469 -0.827 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.533 0.397 -2.578 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.170 -1.016 0.472 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.600 -1.229 -3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.705 -2.989 0.008 1.00 0.00 H new ATOM 424 N GLN A 32 5.316 1.572 -3.717 1.00 0.00 N ATOM 425 CA GLN A 32 6.563 1.389 -4.450 1.00 0.00 C ATOM 426 C GLN A 32 7.617 2.391 -3.990 1.00 0.00 C ATOM 427 O GLN A 32 8.816 2.115 -4.046 1.00 0.00 O ATOM 428 CB GLN A 32 6.322 1.538 -5.953 1.00 0.00 C ATOM 429 CG GLN A 32 5.140 0.729 -6.463 1.00 0.00 C ATOM 430 CD GLN A 32 5.236 0.426 -7.945 1.00 0.00 C ATOM 431 OE1 GLN A 32 6.093 0.966 -8.647 1.00 0.00 O ATOM 432 NE2 GLN A 32 4.356 -0.441 -8.431 1.00 0.00 N ATOM 0 H GLN A 32 4.488 1.660 -4.307 1.00 0.00 H new ATOM 0 HA GLN A 32 6.931 0.383 -4.246 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.158 2.591 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.220 1.231 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.079 -0.207 -5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.218 1.277 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.663 -0.865 -7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.373 -0.684 -9.422 1.00 0.00 H new ATOM 441 N ARG A 33 7.162 3.554 -3.536 1.00 0.00 N ATOM 442 CA ARG A 33 8.067 4.598 -3.068 1.00 0.00 C ATOM 443 C ARG A 33 8.996 4.065 -1.982 1.00 0.00 C ATOM 444 O ARG A 33 10.096 4.581 -1.784 1.00 0.00 O ATOM 445 CB ARG A 33 7.271 5.790 -2.535 1.00 0.00 C ATOM 446 CG ARG A 33 6.151 6.238 -3.460 1.00 0.00 C ATOM 447 CD ARG A 33 5.732 7.672 -3.173 1.00 0.00 C ATOM 448 NE ARG A 33 4.665 7.742 -2.179 1.00 0.00 N ATOM 449 CZ ARG A 33 4.382 8.836 -1.480 1.00 0.00 C ATOM 450 NH1 ARG A 33 5.083 9.946 -1.668 1.00 0.00 N ATOM 451 NH2 ARG A 33 3.395 8.821 -0.593 1.00 0.00 N ATOM 0 H ARG A 33 6.173 3.797 -3.482 1.00 0.00 H new ATOM 0 HA ARG A 33 8.674 4.924 -3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.847 5.529 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.951 6.626 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.478 6.154 -4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.293 5.576 -3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.594 8.238 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.398 8.144 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 33 4.106 6.905 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.841 9.961 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.864 10.785 -1.130 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.853 7.969 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.178 9.661 -0.057 1.00 0.00 H new ATOM 465 N ILE A 34 8.545 3.030 -1.280 1.00 0.00 N ATOM 466 CA ILE A 34 9.336 2.428 -0.214 1.00 0.00 C ATOM 467 C ILE A 34 10.583 1.751 -0.771 1.00 0.00 C ATOM 468 O ILE A 34 11.588 1.606 -0.074 1.00 0.00 O ATOM 469 CB ILE A 34 8.516 1.395 0.581 1.00 0.00 C ATOM 470 CG1 ILE A 34 8.465 0.064 -0.172 1.00 0.00 C ATOM 471 CG2 ILE A 34 7.110 1.918 0.837 1.00 0.00 C ATOM 472 CD1 ILE A 34 7.713 -1.020 0.567 1.00 0.00 C ATOM 0 H ILE A 34 7.636 2.591 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 34 9.632 3.236 0.455 1.00 0.00 H new ATOM 0 HB ILE A 34 9.002 1.230 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.996 0.223 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.483 -0.276 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.543 1.177 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.165 2.844 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.614 2.109 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.717 -1.935 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.194 -1.207 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.684 -0.700 0.733 1.00 0.00 H new ATOM 484 N HIS A 35 10.513 1.338 -2.033 1.00 0.00 N ATOM 485 CA HIS A 35 11.638 0.678 -2.685 1.00 0.00 C ATOM 486 C HIS A 35 12.516 1.692 -3.412 1.00 0.00 C ATOM 487 O HIS A 35 13.740 1.686 -3.270 1.00 0.00 O ATOM 488 CB HIS A 35 11.136 -0.378 -3.670 1.00 0.00 C ATOM 489 CG HIS A 35 10.253 -1.412 -3.041 1.00 0.00 C ATOM 490 ND1 HIS A 35 10.647 -2.189 -1.973 1.00 0.00 N ATOM 491 CD2 HIS A 35 8.988 -1.793 -3.336 1.00 0.00 C ATOM 492 CE1 HIS A 35 9.663 -3.005 -1.638 1.00 0.00 C ATOM 493 NE2 HIS A 35 8.645 -2.784 -2.449 1.00 0.00 N ATOM 0 H HIS A 35 9.689 1.449 -2.624 1.00 0.00 H new ATOM 0 HA HIS A 35 12.237 0.191 -1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.588 0.116 -4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.993 -0.873 -4.127 1.00 0.00 H new ATOM 0 HD1 HIS A 35 11.556 -2.142 -1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.365 -1.393 -4.122 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.687 -3.729 -0.837 1.00 0.00 H new ATOM 501 N THR A 36 11.884 2.563 -4.193 1.00 0.00 N ATOM 502 CA THR A 36 12.607 3.581 -4.944 1.00 0.00 C ATOM 503 C THR A 36 12.932 4.785 -4.066 1.00 0.00 C ATOM 504 O THR A 36 14.034 5.329 -4.124 1.00 0.00 O ATOM 505 CB THR A 36 11.801 4.056 -6.168 1.00 0.00 C ATOM 506 OG1 THR A 36 12.433 5.197 -6.758 1.00 0.00 O ATOM 507 CG2 THR A 36 10.375 4.407 -5.773 1.00 0.00 C ATOM 0 H THR A 36 10.872 2.583 -4.322 1.00 0.00 H new ATOM 0 HA THR A 36 13.535 3.122 -5.285 1.00 0.00 H new ATOM 0 HB THR A 36 11.771 3.243 -6.893 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.915 5.492 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.825 4.740 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.887 3.528 -5.351 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.389 5.205 -5.031 1.00 0.00 H new ATOM 515 N GLY A 37 11.964 5.196 -3.252 1.00 0.00 N ATOM 516 CA GLY A 37 12.168 6.332 -2.373 1.00 0.00 C ATOM 517 C GLY A 37 12.399 5.918 -0.933 1.00 0.00 C ATOM 518 O GLY A 37 11.492 5.997 -0.105 1.00 0.00 O ATOM 0 H GLY A 37 11.043 4.763 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.024 6.909 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.299 6.988 -2.424 1.00 0.00 H new ATOM 522 N GLU A 38 13.616 5.473 -0.634 1.00 0.00 N ATOM 523 CA GLU A 38 13.961 5.042 0.715 1.00 0.00 C ATOM 524 C GLU A 38 15.048 5.934 1.309 1.00 0.00 C ATOM 525 O GLU A 38 15.662 5.594 2.321 1.00 0.00 O ATOM 526 CB GLU A 38 14.430 3.586 0.705 1.00 0.00 C ATOM 527 CG GLU A 38 15.825 3.400 0.131 1.00 0.00 C ATOM 528 CD GLU A 38 15.812 3.159 -1.366 1.00 0.00 C ATOM 529 OE1 GLU A 38 15.179 3.957 -2.090 1.00 0.00 O ATOM 530 OE2 GLU A 38 16.433 2.173 -1.815 1.00 0.00 O ATOM 0 H GLU A 38 14.378 5.402 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 38 13.068 5.124 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.411 3.200 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.725 2.990 0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.424 4.285 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.309 2.558 0.627 1.00 0.00 H new ATOM 537 N LYS A 39 15.280 7.078 0.674 1.00 0.00 N ATOM 538 CA LYS A 39 16.291 8.020 1.138 1.00 0.00 C ATOM 539 C LYS A 39 15.705 9.422 1.276 1.00 0.00 C ATOM 540 O LYS A 39 14.779 9.807 0.561 1.00 0.00 O ATOM 541 CB LYS A 39 17.477 8.044 0.172 1.00 0.00 C ATOM 542 CG LYS A 39 17.098 8.426 -1.248 1.00 0.00 C ATOM 543 CD LYS A 39 18.259 8.230 -2.208 1.00 0.00 C ATOM 544 CE LYS A 39 17.774 7.894 -3.610 1.00 0.00 C ATOM 545 NZ LYS A 39 18.834 8.116 -4.632 1.00 0.00 N ATOM 0 H LYS A 39 14.781 7.375 -0.164 1.00 0.00 H new ATOM 0 HA LYS A 39 16.636 7.691 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 39 18.222 8.748 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.946 7.060 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.250 7.823 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.777 9.467 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.864 9.136 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.903 7.430 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.450 6.854 -3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.904 8.506 -3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.464 7.876 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.125 9.114 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.654 7.513 -4.418 1.00 0.00 H new ATOM 559 N PRO A 40 16.257 10.205 2.214 1.00 0.00 N ATOM 560 CA PRO A 40 15.807 11.577 2.466 1.00 0.00 C ATOM 561 C PRO A 40 16.166 12.523 1.325 1.00 0.00 C ATOM 562 O PRO A 40 17.333 12.648 0.954 1.00 0.00 O ATOM 563 CB PRO A 40 16.556 11.969 3.742 1.00 0.00 C ATOM 564 CG PRO A 40 17.772 11.108 3.746 1.00 0.00 C ATOM 565 CD PRO A 40 17.364 9.812 3.102 1.00 0.00 C ATOM 0 HA PRO A 40 14.723 11.640 2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.820 13.027 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.946 11.796 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.585 11.579 3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 40 18.130 10.943 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.187 9.364 2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.044 9.079 3.842 1.00 0.00 H new ATOM 573 N SER A 41 15.156 13.188 0.773 1.00 0.00 N ATOM 574 CA SER A 41 15.366 14.121 -0.327 1.00 0.00 C ATOM 575 C SER A 41 15.648 15.526 0.197 1.00 0.00 C ATOM 576 O SER A 41 14.893 16.062 1.007 1.00 0.00 O ATOM 577 CB SER A 41 14.142 14.144 -1.245 1.00 0.00 C ATOM 578 OG SER A 41 14.497 14.535 -2.560 1.00 0.00 O ATOM 0 H SER A 41 14.184 13.098 1.070 1.00 0.00 H new ATOM 0 HA SER A 41 16.233 13.783 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.682 13.156 -1.268 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.397 14.833 -0.846 1.00 0.00 H new ATOM 0 HG SER A 41 13.698 14.540 -3.127 1.00 0.00 H new ATOM 584 N GLY A 42 16.743 16.117 -0.272 1.00 0.00 N ATOM 585 CA GLY A 42 17.108 17.453 0.160 1.00 0.00 C ATOM 586 C GLY A 42 18.100 17.442 1.306 1.00 0.00 C ATOM 587 O GLY A 42 18.172 16.491 2.084 1.00 0.00 O ATOM 0 H GLY A 42 17.384 15.694 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.535 17.999 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.210 17.990 0.466 1.00 0.00 H new ATOM 591 N PRO A 43 18.891 18.520 1.420 1.00 0.00 N ATOM 592 CA PRO A 43 19.899 18.653 2.476 1.00 0.00 C ATOM 593 C PRO A 43 19.275 18.844 3.854 1.00 0.00 C ATOM 594 O PRO A 43 19.962 18.774 4.872 1.00 0.00 O ATOM 595 CB PRO A 43 20.679 19.904 2.064 1.00 0.00 C ATOM 596 CG PRO A 43 19.721 20.696 1.243 1.00 0.00 C ATOM 597 CD PRO A 43 18.860 19.691 0.528 1.00 0.00 C ATOM 0 HA PRO A 43 20.516 17.759 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.013 20.467 2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.570 19.644 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 43 19.117 21.351 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 43 20.249 21.333 0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.845 20.061 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 43 19.255 19.454 -0.460 1.00 0.00 H new ATOM 605 N SER A 44 17.968 19.085 3.878 1.00 0.00 N ATOM 606 CA SER A 44 17.251 19.289 5.131 1.00 0.00 C ATOM 607 C SER A 44 16.955 17.956 5.811 1.00 0.00 C ATOM 608 O SER A 44 16.420 17.036 5.192 1.00 0.00 O ATOM 609 CB SER A 44 15.946 20.047 4.879 1.00 0.00 C ATOM 610 OG SER A 44 15.035 19.260 4.131 1.00 0.00 O ATOM 0 H SER A 44 17.384 19.144 3.044 1.00 0.00 H new ATOM 0 HA SER A 44 17.885 19.881 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.494 20.326 5.831 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.157 20.972 4.343 1.00 0.00 H new ATOM 0 HG SER A 44 15.183 18.312 4.329 1.00 0.00 H new ATOM 616 N SER A 45 17.308 17.860 7.089 1.00 0.00 N ATOM 617 CA SER A 45 17.084 16.638 7.854 1.00 0.00 C ATOM 618 C SER A 45 15.710 16.656 8.517 1.00 0.00 C ATOM 619 O SER A 45 15.458 17.445 9.426 1.00 0.00 O ATOM 620 CB SER A 45 18.173 16.469 8.915 1.00 0.00 C ATOM 621 OG SER A 45 19.464 16.500 8.330 1.00 0.00 O ATOM 0 H SER A 45 17.750 18.613 7.616 1.00 0.00 H new ATOM 0 HA SER A 45 17.124 15.795 7.165 1.00 0.00 H new ATOM 0 HB2 SER A 45 18.088 17.262 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 45 18.031 15.524 9.440 1.00 0.00 H new ATOM 0 HG SER A 45 20.142 16.392 9.029 1.00 0.00 H new ATOM 627 N GLY A 46 14.825 15.779 8.054 1.00 0.00 N ATOM 628 CA GLY A 46 13.487 15.710 8.613 1.00 0.00 C ATOM 629 C GLY A 46 12.507 16.607 7.882 1.00 0.00 C ATOM 630 O GLY A 46 12.329 16.443 6.676 1.00 0.00 O ATOM 0 H GLY A 46 15.010 15.115 7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.132 14.680 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.521 15.995 9.665 1.00 0.00 H new TER 634 GLY A 46 HETATM 635 ZN ZN A 200 6.850 -3.739 -2.646 1.00 0.00 ZN