USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 428 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 Set 1.1: A 44 THR OG1 : rot 180:sc= -0.751 USER MOD Set 1.2: A 53 THR OG1 : rot 132:sc= 0.0469 USER MOD Single : A 1 THR N :NH3+ -152:sc= -0.0219 (180deg=-1.1) USER MOD Single : A 1 THR OG1 : rot 52:sc= 0.584 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 0.684 (180deg=0.681) USER MOD Single : A 8 ASN : amide:sc= -1.48 K(o=-1.5,f=-5.9!) USER MOD Single : A 10 LYS NZ :NH3+ -113:sc= 0.684 (180deg=-0.0424) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= -0.0405 (180deg=-0.381) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 38:sc= -0.478 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc=-0.00482 (180deg=-0.0235) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.89) USER MOD Single : A 37 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 49 THR OG1 : rot -55:sc= 0.753 USER MOD Single : A 50 LYS NZ :NH3+ -127:sc=-0.00851 (180deg=-0.181) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00493 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 14.817 3.984 4.459 1.00 0.00 N ATOM 2 CA THR A 1 14.240 3.124 3.385 1.00 0.00 C ATOM 3 C THR A 1 12.941 2.474 3.871 1.00 0.00 C ATOM 4 O THR A 1 12.898 1.291 4.158 1.00 0.00 O ATOM 5 CB THR A 1 15.307 2.062 3.113 1.00 0.00 C ATOM 6 OG1 THR A 1 15.599 1.367 4.317 1.00 0.00 O ATOM 7 CG2 THR A 1 16.577 2.734 2.588 1.00 0.00 C ATOM 0 H1 THR A 1 15.371 4.752 4.029 1.00 0.00 H new ATOM 0 H2 THR A 1 14.048 4.390 5.030 1.00 0.00 H new ATOM 0 H3 THR A 1 15.435 3.411 5.068 1.00 0.00 H new ATOM 0 HA THR A 1 13.993 3.691 2.487 1.00 0.00 H new ATOM 0 HB THR A 1 14.937 1.358 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 1 14.766 1.042 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 1 17.336 1.976 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 1 16.352 3.266 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 1 16.949 3.439 3.331 1.00 0.00 H new ATOM 17 N THR A 2 11.884 3.240 3.965 1.00 0.00 N ATOM 18 CA THR A 2 10.582 2.676 4.432 1.00 0.00 C ATOM 19 C THR A 2 9.478 2.983 3.417 1.00 0.00 C ATOM 20 O THR A 2 9.191 4.130 3.128 1.00 0.00 O ATOM 21 CB THR A 2 10.301 3.379 5.761 1.00 0.00 C ATOM 22 OG1 THR A 2 11.484 3.393 6.547 1.00 0.00 O ATOM 23 CG2 THR A 2 9.196 2.634 6.511 1.00 0.00 C ATOM 0 H THR A 2 11.867 4.234 3.738 1.00 0.00 H new ATOM 0 HA THR A 2 10.617 1.592 4.544 1.00 0.00 H new ATOM 0 HB THR A 2 9.980 4.403 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.306 3.845 7.398 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.997 3.136 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.289 2.625 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.514 1.609 6.703 1.00 0.00 H new ATOM 31 N PHE A 3 8.859 1.964 2.877 1.00 0.00 N ATOM 32 CA PHE A 3 7.768 2.186 1.877 1.00 0.00 C ATOM 33 C PHE A 3 6.483 2.612 2.592 1.00 0.00 C ATOM 34 O PHE A 3 6.368 2.491 3.796 1.00 0.00 O ATOM 35 CB PHE A 3 7.580 0.834 1.181 1.00 0.00 C ATOM 36 CG PHE A 3 8.866 0.436 0.491 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.473 1.312 -0.418 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.452 -0.807 0.763 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.665 0.945 -1.053 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.644 -1.173 0.126 1.00 0.00 C ATOM 41 CZ PHE A 3 11.250 -0.297 -0.782 1.00 0.00 C ATOM 0 H PHE A 3 9.062 0.986 3.085 1.00 0.00 H new ATOM 0 HA PHE A 3 8.012 2.974 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.296 0.075 1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.770 0.897 0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.021 2.270 -0.629 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.985 -1.483 1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.134 1.621 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.096 -2.131 0.335 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.169 -0.580 -1.274 1.00 0.00 H new ATOM 51 N LYS A 4 5.519 3.113 1.859 1.00 0.00 N ATOM 52 CA LYS A 4 4.240 3.553 2.497 1.00 0.00 C ATOM 53 C LYS A 4 3.049 3.238 1.593 1.00 0.00 C ATOM 54 O LYS A 4 3.177 3.175 0.388 1.00 0.00 O ATOM 55 CB LYS A 4 4.377 5.067 2.660 1.00 0.00 C ATOM 56 CG LYS A 4 3.263 5.586 3.572 1.00 0.00 C ATOM 57 CD LYS A 4 3.445 7.089 3.791 1.00 0.00 C ATOM 58 CE LYS A 4 2.085 7.739 4.074 1.00 0.00 C ATOM 59 NZ LYS A 4 2.104 8.058 5.530 1.00 0.00 N ATOM 0 H LYS A 4 5.563 3.236 0.847 1.00 0.00 H new ATOM 0 HA LYS A 4 4.068 3.043 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.351 5.311 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.321 5.555 1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.289 5.388 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.287 5.062 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.124 7.265 4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.899 7.542 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.946 8.639 3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.266 7.063 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.234 8.567 5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.163 7.176 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.929 8.654 5.744 1.00 0.00 H new ATOM 73 N LEU A 5 1.890 3.064 2.173 1.00 0.00 N ATOM 74 CA LEU A 5 0.668 2.779 1.364 1.00 0.00 C ATOM 75 C LEU A 5 -0.555 3.345 2.086 1.00 0.00 C ATOM 76 O LEU A 5 -0.679 3.235 3.291 1.00 0.00 O ATOM 77 CB LEU A 5 0.575 1.251 1.262 1.00 0.00 C ATOM 78 CG LEU A 5 -0.117 0.860 -0.059 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.724 -0.181 -0.808 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.501 0.272 0.239 1.00 0.00 C ATOM 0 H LEU A 5 1.737 3.108 3.180 1.00 0.00 H new ATOM 0 HA LEU A 5 0.712 3.233 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.572 0.813 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.015 0.854 2.109 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.221 1.751 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.225 -0.450 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.706 0.236 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.839 -1.070 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.988 -0.004 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.393 -0.613 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.107 1.014 0.759 1.00 0.00 H new ATOM 92 N ILE A 6 -1.451 3.960 1.361 1.00 0.00 N ATOM 93 CA ILE A 6 -2.663 4.548 2.000 1.00 0.00 C ATOM 94 C ILE A 6 -3.901 3.716 1.650 1.00 0.00 C ATOM 95 O ILE A 6 -4.220 3.519 0.493 1.00 0.00 O ATOM 96 CB ILE A 6 -2.749 5.962 1.416 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.528 6.770 1.890 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.044 6.654 1.868 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.550 6.928 3.416 1.00 0.00 C ATOM 0 H ILE A 6 -1.395 4.081 0.350 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.609 4.563 3.089 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.756 5.904 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.610 6.268 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.528 7.752 1.416 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.088 7.657 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.903 6.077 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.061 6.719 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.680 7.502 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.459 7.451 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.527 5.944 3.884 1.00 0.00 H new ATOM 111 N ILE A 7 -4.593 3.229 2.647 1.00 0.00 N ATOM 112 CA ILE A 7 -5.811 2.403 2.389 1.00 0.00 C ATOM 113 C ILE A 7 -6.988 3.302 1.994 1.00 0.00 C ATOM 114 O ILE A 7 -7.492 4.065 2.796 1.00 0.00 O ATOM 115 CB ILE A 7 -6.102 1.685 3.711 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.897 0.825 4.106 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.330 0.784 3.547 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.127 0.233 5.498 1.00 0.00 C ATOM 0 H ILE A 7 -4.367 3.368 3.632 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.661 1.698 1.571 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.292 2.427 4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.753 0.026 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.989 1.428 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.535 0.274 4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.191 1.390 3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.138 0.045 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.270 -0.379 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.250 1.040 6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.025 -0.384 5.487 1.00 0.00 H new ATOM 130 N ASN A 8 -7.430 3.208 0.766 1.00 0.00 N ATOM 131 CA ASN A 8 -8.580 4.045 0.311 1.00 0.00 C ATOM 132 C ASN A 8 -9.825 3.171 0.154 1.00 0.00 C ATOM 133 O ASN A 8 -10.477 3.180 -0.874 1.00 0.00 O ATOM 134 CB ASN A 8 -8.149 4.620 -1.039 1.00 0.00 C ATOM 135 CG ASN A 8 -7.245 5.834 -0.814 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.609 5.950 0.214 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.161 6.749 -1.740 1.00 0.00 N ATOM 0 H ASN A 8 -7.042 2.586 0.057 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.828 4.834 1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.620 3.862 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.025 4.909 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.561 7.562 -1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.695 6.651 -2.603 1.00 0.00 H new ATOM 144 N GLY A 9 -10.153 2.416 1.170 1.00 0.00 N ATOM 145 CA GLY A 9 -11.352 1.532 1.097 1.00 0.00 C ATOM 146 C GLY A 9 -12.601 2.332 1.469 1.00 0.00 C ATOM 147 O GLY A 9 -12.536 3.286 2.220 1.00 0.00 O ATOM 0 H GLY A 9 -9.639 2.374 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.455 1.124 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.235 0.686 1.774 1.00 0.00 H new ATOM 151 N LYS A 10 -13.738 1.951 0.942 1.00 0.00 N ATOM 152 CA LYS A 10 -15.004 2.684 1.250 1.00 0.00 C ATOM 153 C LYS A 10 -15.243 2.745 2.764 1.00 0.00 C ATOM 154 O LYS A 10 -15.819 3.689 3.271 1.00 0.00 O ATOM 155 CB LYS A 10 -16.113 1.879 0.569 1.00 0.00 C ATOM 156 CG LYS A 10 -15.892 1.885 -0.945 1.00 0.00 C ATOM 157 CD LYS A 10 -17.182 1.463 -1.652 1.00 0.00 C ATOM 158 CE LYS A 10 -17.305 2.212 -2.980 1.00 0.00 C ATOM 159 NZ LYS A 10 -16.435 1.461 -3.927 1.00 0.00 N ATOM 0 H LYS A 10 -13.844 1.159 0.308 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.968 3.714 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.116 0.855 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.087 2.308 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.593 2.880 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.082 1.205 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.177 0.387 -1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.043 1.679 -1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.338 2.235 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.979 3.247 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.624 2.053 -4.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.092 0.592 -3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.981 1.212 -4.777 1.00 0.00 H new ATOM 173 N THR A 11 -14.806 1.742 3.482 1.00 0.00 N ATOM 174 CA THR A 11 -15.006 1.731 4.963 1.00 0.00 C ATOM 175 C THR A 11 -13.658 1.607 5.680 1.00 0.00 C ATOM 176 O THR A 11 -13.431 2.229 6.700 1.00 0.00 O ATOM 177 CB THR A 11 -15.874 0.502 5.236 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.062 0.582 4.460 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.234 0.449 6.721 1.00 0.00 C ATOM 0 H THR A 11 -14.318 0.929 3.106 1.00 0.00 H new ATOM 0 HA THR A 11 -15.472 2.648 5.323 1.00 0.00 H new ATOM 0 HB THR A 11 -15.324 -0.400 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.619 -0.206 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.853 -0.427 6.914 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.322 0.387 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.785 1.349 6.994 1.00 0.00 H new ATOM 187 N LEU A 12 -12.767 0.806 5.153 1.00 0.00 N ATOM 188 CA LEU A 12 -11.432 0.633 5.799 1.00 0.00 C ATOM 189 C LEU A 12 -10.423 1.622 5.208 1.00 0.00 C ATOM 190 O LEU A 12 -10.325 1.778 4.006 1.00 0.00 O ATOM 191 CB LEU A 12 -11.022 -0.805 5.483 1.00 0.00 C ATOM 192 CG LEU A 12 -11.939 -1.773 6.232 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.132 -3.042 5.399 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.305 -2.138 7.576 1.00 0.00 C ATOM 0 H LEU A 12 -12.908 0.263 4.301 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.467 0.821 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.085 -0.985 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.985 -0.971 5.774 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.906 -1.299 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.786 -3.732 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.583 -2.783 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.165 -3.516 5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.958 -2.828 8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.338 -2.612 7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.167 -1.235 8.170 1.00 0.00 H new ATOM 206 N LYS A 13 -9.673 2.288 6.049 1.00 0.00 N ATOM 207 CA LYS A 13 -8.664 3.270 5.550 1.00 0.00 C ATOM 208 C LYS A 13 -7.519 3.407 6.556 1.00 0.00 C ATOM 209 O LYS A 13 -7.455 2.688 7.536 1.00 0.00 O ATOM 210 CB LYS A 13 -9.426 4.590 5.422 1.00 0.00 C ATOM 211 CG LYS A 13 -10.390 4.512 4.237 1.00 0.00 C ATOM 212 CD LYS A 13 -10.848 5.922 3.857 1.00 0.00 C ATOM 213 CE LYS A 13 -12.060 6.313 4.706 1.00 0.00 C ATOM 214 NZ LYS A 13 -11.502 7.137 5.814 1.00 0.00 N ATOM 0 H LYS A 13 -9.717 2.193 7.064 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.220 2.962 4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.977 4.794 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.726 5.414 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.901 4.036 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.251 3.896 4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.037 6.633 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.105 5.959 2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.786 6.877 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.575 5.432 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.925 6.838 6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.471 7.009 5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.720 8.140 5.645 1.00 0.00 H new ATOM 228 N GLY A 14 -6.616 4.326 6.321 1.00 0.00 N ATOM 229 CA GLY A 14 -5.474 4.518 7.260 1.00 0.00 C ATOM 230 C GLY A 14 -4.162 4.549 6.475 1.00 0.00 C ATOM 231 O GLY A 14 -4.157 4.567 5.258 1.00 0.00 O ATOM 0 H GLY A 14 -6.623 4.952 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.599 5.448 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.452 3.710 7.992 1.00 0.00 H new ATOM 235 N GLU A 15 -3.050 4.557 7.165 1.00 0.00 N ATOM 236 CA GLU A 15 -1.727 4.588 6.468 1.00 0.00 C ATOM 237 C GLU A 15 -0.891 3.376 6.891 1.00 0.00 C ATOM 238 O GLU A 15 -1.111 2.805 7.943 1.00 0.00 O ATOM 239 CB GLU A 15 -1.053 5.885 6.933 1.00 0.00 C ATOM 240 CG GLU A 15 -1.954 7.088 6.625 1.00 0.00 C ATOM 241 CD GLU A 15 -1.090 8.327 6.379 1.00 0.00 C ATOM 242 OE1 GLU A 15 -0.045 8.431 7.000 1.00 0.00 O ATOM 243 OE2 GLU A 15 -1.491 9.153 5.576 1.00 0.00 O ATOM 0 H GLU A 15 -3.000 4.543 8.184 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.831 4.553 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.852 5.836 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.092 6.004 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.568 6.880 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.636 7.267 7.456 1.00 0.00 H new ATOM 250 N THR A 16 0.066 2.981 6.086 1.00 0.00 N ATOM 251 CA THR A 16 0.912 1.802 6.458 1.00 0.00 C ATOM 252 C THR A 16 2.256 1.832 5.722 1.00 0.00 C ATOM 253 O THR A 16 2.355 2.302 4.605 1.00 0.00 O ATOM 254 CB THR A 16 0.098 0.571 6.043 1.00 0.00 C ATOM 255 OG1 THR A 16 0.838 -0.604 6.343 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.202 0.615 4.542 1.00 0.00 C ATOM 0 H THR A 16 0.297 3.419 5.195 1.00 0.00 H new ATOM 0 HA THR A 16 1.145 1.798 7.523 1.00 0.00 H new ATOM 0 HB THR A 16 -0.844 0.566 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.320 -1.393 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.781 -0.265 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.774 1.514 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.734 0.627 3.984 1.00 0.00 H new ATOM 264 N THR A 17 3.288 1.323 6.348 1.00 0.00 N ATOM 265 CA THR A 17 4.636 1.302 5.702 1.00 0.00 C ATOM 266 C THR A 17 5.320 -0.038 5.971 1.00 0.00 C ATOM 267 O THR A 17 4.990 -0.731 6.916 1.00 0.00 O ATOM 268 CB THR A 17 5.426 2.427 6.370 1.00 0.00 C ATOM 269 OG1 THR A 17 5.338 2.292 7.782 1.00 0.00 O ATOM 270 CG2 THR A 17 4.862 3.784 5.951 1.00 0.00 C ATOM 0 H THR A 17 3.254 0.919 7.284 1.00 0.00 H new ATOM 0 HA THR A 17 4.571 1.433 4.622 1.00 0.00 H new ATOM 0 HB THR A 17 6.469 2.364 6.059 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.846 3.012 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.432 4.579 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.935 3.890 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.817 3.853 6.253 1.00 0.00 H new ATOM 278 N THR A 18 6.274 -0.406 5.153 1.00 0.00 N ATOM 279 CA THR A 18 6.985 -1.692 5.363 1.00 0.00 C ATOM 280 C THR A 18 8.482 -1.505 5.042 1.00 0.00 C ATOM 281 O THR A 18 8.883 -0.516 4.457 1.00 0.00 O ATOM 282 CB THR A 18 6.263 -2.687 4.411 1.00 0.00 C ATOM 283 OG1 THR A 18 5.487 -3.583 5.192 1.00 0.00 O ATOM 284 CG2 THR A 18 7.253 -3.497 3.570 1.00 0.00 C ATOM 0 H THR A 18 6.588 0.135 4.347 1.00 0.00 H new ATOM 0 HA THR A 18 6.956 -2.062 6.388 1.00 0.00 H new ATOM 0 HB THR A 18 5.637 -2.110 3.731 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.083 -3.098 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.705 -4.179 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.853 -2.820 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.906 -4.070 4.228 1.00 0.00 H new ATOM 292 N GLU A 19 9.295 -2.459 5.414 1.00 0.00 N ATOM 293 CA GLU A 19 10.756 -2.364 5.130 1.00 0.00 C ATOM 294 C GLU A 19 11.198 -3.578 4.309 1.00 0.00 C ATOM 295 O GLU A 19 11.116 -4.704 4.763 1.00 0.00 O ATOM 296 CB GLU A 19 11.428 -2.369 6.502 1.00 0.00 C ATOM 297 CG GLU A 19 12.916 -2.050 6.343 1.00 0.00 C ATOM 298 CD GLU A 19 13.722 -2.830 7.383 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.727 -2.417 8.531 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.319 -3.828 7.015 1.00 0.00 O ATOM 0 H GLU A 19 9.007 -3.305 5.906 1.00 0.00 H new ATOM 0 HA GLU A 19 11.016 -1.473 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.955 -1.634 7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.303 -3.342 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.249 -2.312 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.084 -0.980 6.466 1.00 0.00 H new ATOM 307 N ALA A 20 11.657 -3.358 3.103 1.00 0.00 N ATOM 308 CA ALA A 20 12.093 -4.501 2.246 1.00 0.00 C ATOM 309 C ALA A 20 13.139 -4.044 1.226 1.00 0.00 C ATOM 310 O ALA A 20 13.472 -2.877 1.145 1.00 0.00 O ATOM 311 CB ALA A 20 10.822 -4.962 1.535 1.00 0.00 C ATOM 0 H ALA A 20 11.748 -2.437 2.675 1.00 0.00 H new ATOM 0 HA ALA A 20 12.554 -5.298 2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.055 -5.803 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.083 -5.270 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.420 -4.142 0.940 1.00 0.00 H new ATOM 317 N VAL A 21 13.657 -4.962 0.449 1.00 0.00 N ATOM 318 CA VAL A 21 14.688 -4.597 -0.574 1.00 0.00 C ATOM 319 C VAL A 21 14.133 -3.549 -1.546 1.00 0.00 C ATOM 320 O VAL A 21 14.821 -2.623 -1.933 1.00 0.00 O ATOM 321 CB VAL A 21 15.013 -5.904 -1.312 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.565 -6.927 -0.317 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.748 -6.471 -1.971 1.00 0.00 C ATOM 0 H VAL A 21 13.410 -5.951 0.478 1.00 0.00 H new ATOM 0 HA VAL A 21 15.577 -4.161 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 21 15.755 -5.698 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.796 -7.855 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.472 -6.534 0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.821 -7.121 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.992 -7.397 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.998 -6.671 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.354 -5.748 -2.685 1.00 0.00 H new ATOM 333 N ASP A 22 12.893 -3.691 -1.939 1.00 0.00 N ATOM 334 CA ASP A 22 12.277 -2.711 -2.884 1.00 0.00 C ATOM 335 C ASP A 22 10.773 -2.618 -2.621 1.00 0.00 C ATOM 336 O ASP A 22 10.190 -3.495 -2.010 1.00 0.00 O ATOM 337 CB ASP A 22 12.538 -3.276 -4.283 1.00 0.00 C ATOM 338 CG ASP A 22 14.045 -3.392 -4.524 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.716 -2.376 -4.452 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.502 -4.495 -4.776 1.00 0.00 O ATOM 0 H ASP A 22 12.277 -4.449 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 22 12.693 -1.710 -2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.068 -4.255 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.089 -2.628 -5.036 1.00 0.00 H new ATOM 345 N ALA A 23 10.142 -1.567 -3.077 1.00 0.00 N ATOM 346 CA ALA A 23 8.671 -1.421 -2.854 1.00 0.00 C ATOM 347 C ALA A 23 7.922 -2.564 -3.542 1.00 0.00 C ATOM 348 O ALA A 23 6.857 -2.964 -3.111 1.00 0.00 O ATOM 349 CB ALA A 23 8.294 -0.075 -3.476 1.00 0.00 C ATOM 0 H ALA A 23 10.580 -0.804 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 23 8.410 -1.458 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.225 0.098 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.852 0.722 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.536 -0.085 -4.539 1.00 0.00 H new ATOM 355 N ALA A 24 8.478 -3.100 -4.601 1.00 0.00 N ATOM 356 CA ALA A 24 7.805 -4.231 -5.313 1.00 0.00 C ATOM 357 C ALA A 24 7.644 -5.414 -4.354 1.00 0.00 C ATOM 358 O ALA A 24 6.589 -6.013 -4.264 1.00 0.00 O ATOM 359 CB ALA A 24 8.738 -4.600 -6.468 1.00 0.00 C ATOM 0 H ALA A 24 9.368 -2.804 -5.003 1.00 0.00 H new ATOM 0 HA ALA A 24 6.812 -3.963 -5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.307 -5.425 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.866 -3.738 -7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.707 -4.901 -6.071 1.00 0.00 H new ATOM 365 N THR A 25 8.684 -5.737 -3.628 1.00 0.00 N ATOM 366 CA THR A 25 8.604 -6.869 -2.657 1.00 0.00 C ATOM 367 C THR A 25 7.650 -6.497 -1.514 1.00 0.00 C ATOM 368 O THR A 25 6.769 -7.262 -1.154 1.00 0.00 O ATOM 369 CB THR A 25 10.043 -7.060 -2.142 1.00 0.00 C ATOM 370 OG1 THR A 25 10.844 -7.600 -3.184 1.00 0.00 O ATOM 371 CG2 THR A 25 10.063 -8.015 -0.940 1.00 0.00 C ATOM 0 H THR A 25 9.587 -5.264 -3.666 1.00 0.00 H new ATOM 0 HA THR A 25 8.221 -7.786 -3.106 1.00 0.00 H new ATOM 0 HB THR A 25 10.437 -6.093 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.645 -8.014 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.088 -8.138 -0.590 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.452 -7.602 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.663 -8.984 -1.239 1.00 0.00 H new ATOM 379 N ALA A 26 7.825 -5.332 -0.938 1.00 0.00 N ATOM 380 CA ALA A 26 6.935 -4.919 0.186 1.00 0.00 C ATOM 381 C ALA A 26 5.481 -4.888 -0.279 1.00 0.00 C ATOM 382 O ALA A 26 4.635 -5.552 0.279 1.00 0.00 O ATOM 383 CB ALA A 26 7.390 -3.511 0.586 1.00 0.00 C ATOM 0 H ALA A 26 8.542 -4.655 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 26 6.997 -5.614 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.774 -3.150 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.433 -3.541 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.287 -2.839 -0.266 1.00 0.00 H new ATOM 389 N GLU A 27 5.193 -4.113 -1.298 1.00 0.00 N ATOM 390 CA GLU A 27 3.789 -3.998 -1.823 1.00 0.00 C ATOM 391 C GLU A 27 3.077 -5.359 -1.884 1.00 0.00 C ATOM 392 O GLU A 27 1.889 -5.449 -1.634 1.00 0.00 O ATOM 393 CB GLU A 27 3.939 -3.408 -3.227 1.00 0.00 C ATOM 394 CG GLU A 27 2.556 -3.125 -3.817 1.00 0.00 C ATOM 395 CD GLU A 27 2.645 -3.112 -5.344 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.648 -2.642 -5.855 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.708 -3.572 -5.976 1.00 0.00 O ATOM 0 H GLU A 27 5.879 -3.546 -1.797 1.00 0.00 H new ATOM 0 HA GLU A 27 3.177 -3.378 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.522 -2.488 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.483 -4.102 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.847 -3.886 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.184 -2.166 -3.456 1.00 0.00 H new ATOM 404 N LYS A 28 3.795 -6.417 -2.181 1.00 0.00 N ATOM 405 CA LYS A 28 3.148 -7.766 -2.214 1.00 0.00 C ATOM 406 C LYS A 28 2.658 -8.098 -0.806 1.00 0.00 C ATOM 407 O LYS A 28 1.539 -8.532 -0.608 1.00 0.00 O ATOM 408 CB LYS A 28 4.245 -8.743 -2.647 1.00 0.00 C ATOM 409 CG LYS A 28 4.765 -8.358 -4.033 1.00 0.00 C ATOM 410 CD LYS A 28 6.201 -8.863 -4.193 1.00 0.00 C ATOM 411 CE LYS A 28 6.188 -10.245 -4.848 1.00 0.00 C ATOM 412 NZ LYS A 28 6.283 -11.208 -3.716 1.00 0.00 N ATOM 0 H LYS A 28 4.791 -6.405 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 28 2.297 -7.813 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.062 -8.730 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.853 -9.760 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.128 -8.788 -4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.732 -7.276 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.777 -8.166 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.690 -8.915 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.275 -10.401 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.024 -10.363 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.382 -12.174 -4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.111 -10.976 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.422 -11.148 -3.136 1.00 0.00 H new ATOM 426 N VAL A 29 3.488 -7.854 0.176 1.00 0.00 N ATOM 427 CA VAL A 29 3.080 -8.104 1.590 1.00 0.00 C ATOM 428 C VAL A 29 1.974 -7.112 1.957 1.00 0.00 C ATOM 429 O VAL A 29 1.058 -7.434 2.688 1.00 0.00 O ATOM 430 CB VAL A 29 4.360 -7.864 2.421 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.024 -7.633 3.904 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.273 -9.086 2.298 1.00 0.00 C ATOM 0 H VAL A 29 4.434 -7.491 0.058 1.00 0.00 H new ATOM 0 HA VAL A 29 2.689 -9.106 1.765 1.00 0.00 H new ATOM 0 HB VAL A 29 4.859 -6.974 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.944 -7.467 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.379 -6.760 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.510 -8.508 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.179 -8.924 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.753 -9.968 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.538 -9.238 1.252 1.00 0.00 H new ATOM 442 N LEU A 30 2.060 -5.903 1.461 1.00 0.00 N ATOM 443 CA LEU A 30 1.015 -4.896 1.788 1.00 0.00 C ATOM 444 C LEU A 30 -0.304 -5.353 1.177 1.00 0.00 C ATOM 445 O LEU A 30 -1.360 -5.160 1.741 1.00 0.00 O ATOM 446 CB LEU A 30 1.506 -3.578 1.166 1.00 0.00 C ATOM 447 CG LEU A 30 2.618 -2.893 2.012 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.002 -2.011 3.092 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.554 -3.897 2.693 1.00 0.00 C ATOM 0 H LEU A 30 2.806 -5.575 0.847 1.00 0.00 H new ATOM 0 HA LEU A 30 0.852 -4.771 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.886 -3.774 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.663 -2.895 1.060 1.00 0.00 H new ATOM 0 HG LEU A 30 3.203 -2.298 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.795 -1.540 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.388 -1.241 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.383 -2.620 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.308 -3.359 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.977 -4.537 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.044 -4.509 1.936 1.00 0.00 H new ATOM 461 N LYS A 31 -0.241 -6.005 0.041 1.00 0.00 N ATOM 462 CA LYS A 31 -1.488 -6.531 -0.596 1.00 0.00 C ATOM 463 C LYS A 31 -2.108 -7.550 0.351 1.00 0.00 C ATOM 464 O LYS A 31 -3.297 -7.552 0.603 1.00 0.00 O ATOM 465 CB LYS A 31 -1.025 -7.238 -1.870 1.00 0.00 C ATOM 466 CG LYS A 31 -2.164 -7.252 -2.898 1.00 0.00 C ATOM 467 CD LYS A 31 -3.209 -8.310 -2.511 1.00 0.00 C ATOM 468 CE LYS A 31 -2.546 -9.692 -2.424 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.358 -10.575 -3.308 1.00 0.00 N ATOM 0 H LYS A 31 0.620 -6.195 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.218 -5.751 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.155 -6.729 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.718 -8.258 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.632 -6.269 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.767 -7.467 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.662 -8.053 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.012 -8.328 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.508 -9.652 -2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.540 -10.061 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.962 -11.536 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.340 -10.601 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.340 -10.205 -4.280 1.00 0.00 H new ATOM 483 N GLN A 32 -1.282 -8.408 0.892 1.00 0.00 N ATOM 484 CA GLN A 32 -1.775 -9.437 1.856 1.00 0.00 C ATOM 485 C GLN A 32 -2.504 -8.742 3.011 1.00 0.00 C ATOM 486 O GLN A 32 -3.546 -9.182 3.459 1.00 0.00 O ATOM 487 CB GLN A 32 -0.524 -10.147 2.357 1.00 0.00 C ATOM 488 CG GLN A 32 -0.236 -11.362 1.473 1.00 0.00 C ATOM 489 CD GLN A 32 1.060 -12.033 1.933 1.00 0.00 C ATOM 490 OE1 GLN A 32 1.165 -12.466 3.063 1.00 0.00 O ATOM 491 NE2 GLN A 32 2.057 -12.140 1.098 1.00 0.00 N ATOM 0 H GLN A 32 -0.280 -8.440 0.706 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.476 -10.138 1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.325 -9.464 2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.662 -10.461 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.063 -12.069 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.149 -11.054 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.969 -11.776 0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.925 -12.587 1.394 1.00 0.00 H new ATOM 500 N TYR A 33 -1.971 -7.635 3.466 1.00 0.00 N ATOM 501 CA TYR A 33 -2.636 -6.869 4.564 1.00 0.00 C ATOM 502 C TYR A 33 -3.993 -6.368 4.057 1.00 0.00 C ATOM 503 O TYR A 33 -4.984 -6.392 4.760 1.00 0.00 O ATOM 504 CB TYR A 33 -1.692 -5.698 4.859 1.00 0.00 C ATOM 505 CG TYR A 33 -2.311 -4.803 5.896 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.216 -5.144 7.244 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.988 -3.643 5.507 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.797 -4.327 8.212 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.569 -2.821 6.475 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.475 -3.162 7.831 1.00 0.00 C ATOM 511 OH TYR A 33 -4.050 -2.353 8.789 1.00 0.00 O ATOM 0 H TYR A 33 -1.101 -7.228 3.123 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.816 -7.463 5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.731 -6.072 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.498 -5.135 3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.692 -6.041 7.538 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.061 -3.384 4.461 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.724 -4.592 9.256 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.091 -1.923 6.179 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.479 -1.586 8.355 1.00 0.00 H new ATOM 521 N ILE A 34 -4.032 -5.930 2.827 1.00 0.00 N ATOM 522 CA ILE A 34 -5.312 -5.436 2.233 1.00 0.00 C ATOM 523 C ILE A 34 -6.293 -6.608 2.080 1.00 0.00 C ATOM 524 O ILE A 34 -7.495 -6.421 2.040 1.00 0.00 O ATOM 525 CB ILE A 34 -4.916 -4.876 0.860 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.898 -3.723 1.049 1.00 0.00 C ATOM 527 CG2 ILE A 34 -6.166 -4.400 0.098 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.595 -2.414 1.437 1.00 0.00 C ATOM 0 H ILE A 34 -3.227 -5.892 2.202 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.803 -4.683 2.850 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.446 -5.660 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.178 -3.995 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.337 -3.577 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.871 -4.005 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.848 -5.239 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.666 -3.619 0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.850 -1.628 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.296 -2.129 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.135 -2.553 2.374 1.00 0.00 H new ATOM 540 N ASN A 35 -5.783 -7.814 1.990 1.00 0.00 N ATOM 541 CA ASN A 35 -6.671 -9.008 1.833 1.00 0.00 C ATOM 542 C ASN A 35 -7.677 -9.093 2.987 1.00 0.00 C ATOM 543 O ASN A 35 -8.863 -9.266 2.772 1.00 0.00 O ATOM 544 CB ASN A 35 -5.728 -10.213 1.859 1.00 0.00 C ATOM 545 CG ASN A 35 -6.483 -11.463 1.402 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.280 -11.405 0.487 1.00 0.00 O ATOM 547 ND2 ASN A 35 -6.264 -12.599 2.006 1.00 0.00 N ATOM 0 H ASN A 35 -4.785 -8.022 2.019 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.253 -8.961 0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.873 -10.033 1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.336 -10.360 2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.762 -13.438 1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.595 -12.647 2.774 1.00 0.00 H new ATOM 554 N ASP A 36 -7.213 -8.978 4.207 1.00 0.00 N ATOM 555 CA ASP A 36 -8.143 -9.058 5.377 1.00 0.00 C ATOM 556 C ASP A 36 -9.089 -7.850 5.398 1.00 0.00 C ATOM 557 O ASP A 36 -10.164 -7.911 5.966 1.00 0.00 O ATOM 558 CB ASP A 36 -7.246 -9.071 6.620 1.00 0.00 C ATOM 559 CG ASP A 36 -6.370 -7.815 6.653 1.00 0.00 C ATOM 560 OD1 ASP A 36 -6.925 -6.729 6.662 1.00 0.00 O ATOM 561 OD2 ASP A 36 -5.160 -7.963 6.674 1.00 0.00 O ATOM 0 H ASP A 36 -6.232 -8.832 4.444 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.773 -9.946 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.859 -9.119 7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.618 -9.962 6.615 1.00 0.00 H new ATOM 566 N ASN A 37 -8.702 -6.759 4.783 1.00 0.00 N ATOM 567 CA ASN A 37 -9.585 -5.553 4.766 1.00 0.00 C ATOM 568 C ASN A 37 -10.588 -5.654 3.614 1.00 0.00 C ATOM 569 O ASN A 37 -11.692 -5.150 3.696 1.00 0.00 O ATOM 570 CB ASN A 37 -8.642 -4.367 4.558 1.00 0.00 C ATOM 571 CG ASN A 37 -7.718 -4.233 5.769 1.00 0.00 C ATOM 572 OD1 ASN A 37 -8.103 -4.544 6.879 1.00 0.00 O ATOM 573 ND2 ASN A 37 -6.506 -3.781 5.603 1.00 0.00 N ATOM 0 H ASN A 37 -7.814 -6.652 4.293 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.163 -5.451 5.684 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.053 -4.511 3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.217 -3.451 4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.882 -3.689 6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.182 -3.520 4.672 1.00 0.00 H new ATOM 580 N GLY A 38 -10.209 -6.308 2.546 1.00 0.00 N ATOM 581 CA GLY A 38 -11.133 -6.454 1.383 1.00 0.00 C ATOM 582 C GLY A 38 -11.115 -5.175 0.544 1.00 0.00 C ATOM 583 O GLY A 38 -12.106 -4.807 -0.059 1.00 0.00 O ATOM 0 H GLY A 38 -9.296 -6.748 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.832 -7.305 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.145 -6.656 1.734 1.00 0.00 H new ATOM 587 N ILE A 39 -9.995 -4.498 0.498 1.00 0.00 N ATOM 588 CA ILE A 39 -9.909 -3.241 -0.306 1.00 0.00 C ATOM 589 C ILE A 39 -8.932 -3.429 -1.471 1.00 0.00 C ATOM 590 O ILE A 39 -7.839 -2.896 -1.470 1.00 0.00 O ATOM 591 CB ILE A 39 -9.397 -2.167 0.665 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.342 -2.048 1.874 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.322 -0.818 -0.055 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.765 -1.705 1.411 1.00 0.00 C ATOM 0 H ILE A 39 -9.137 -4.761 0.982 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.871 -2.963 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.405 -2.453 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.350 -2.985 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.978 -1.277 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.959 -0.057 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.640 -0.895 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.314 -0.540 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.420 -1.625 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.754 -0.756 0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.132 -2.491 0.751 1.00 0.00 H new ATOM 606 N ASP A 40 -9.324 -4.185 -2.465 1.00 0.00 N ATOM 607 CA ASP A 40 -8.429 -4.414 -3.639 1.00 0.00 C ATOM 608 C ASP A 40 -9.053 -3.804 -4.896 1.00 0.00 C ATOM 609 O ASP A 40 -9.965 -4.363 -5.477 1.00 0.00 O ATOM 610 CB ASP A 40 -8.329 -5.937 -3.773 1.00 0.00 C ATOM 611 CG ASP A 40 -6.989 -6.418 -3.212 1.00 0.00 C ATOM 612 OD1 ASP A 40 -6.673 -6.052 -2.092 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.302 -7.143 -3.912 1.00 0.00 O ATOM 0 H ASP A 40 -10.228 -4.655 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.449 -3.954 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.150 -6.413 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.421 -6.226 -4.820 1.00 0.00 H new ATOM 618 N GLY A 41 -8.572 -2.661 -5.315 1.00 0.00 N ATOM 619 CA GLY A 41 -9.139 -2.008 -6.531 1.00 0.00 C ATOM 620 C GLY A 41 -8.007 -1.491 -7.420 1.00 0.00 C ATOM 621 O GLY A 41 -7.554 -2.175 -8.319 1.00 0.00 O ATOM 0 H GLY A 41 -7.810 -2.152 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.752 -2.720 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.791 -1.184 -6.241 1.00 0.00 H new ATOM 625 N GLU A 42 -7.554 -0.286 -7.181 1.00 0.00 N ATOM 626 CA GLU A 42 -6.455 0.286 -8.017 1.00 0.00 C ATOM 627 C GLU A 42 -5.390 0.939 -7.133 1.00 0.00 C ATOM 628 O GLU A 42 -5.672 1.855 -6.383 1.00 0.00 O ATOM 629 CB GLU A 42 -7.137 1.340 -8.896 1.00 0.00 C ATOM 630 CG GLU A 42 -7.308 0.796 -10.318 1.00 0.00 C ATOM 631 CD GLU A 42 -8.630 1.296 -10.903 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.667 0.841 -10.448 1.00 0.00 O ATOM 633 OE2 GLU A 42 -8.584 2.126 -11.796 1.00 0.00 O ATOM 0 H GLU A 42 -7.898 0.327 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.949 -0.479 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.109 1.603 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.541 2.252 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.476 1.119 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.293 -0.294 -10.306 1.00 0.00 H new ATOM 640 N TRP A 43 -4.167 0.480 -7.227 1.00 0.00 N ATOM 641 CA TRP A 43 -3.076 1.078 -6.403 1.00 0.00 C ATOM 642 C TRP A 43 -2.297 2.091 -7.243 1.00 0.00 C ATOM 643 O TRP A 43 -2.363 2.081 -8.459 1.00 0.00 O ATOM 644 CB TRP A 43 -2.145 -0.080 -6.028 1.00 0.00 C ATOM 645 CG TRP A 43 -2.779 -1.009 -5.038 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.099 -1.305 -4.932 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.111 -1.781 -4.009 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.267 -2.229 -3.920 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.072 -2.544 -3.313 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.769 -1.889 -3.621 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.715 -3.388 -2.266 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.402 -2.735 -2.563 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.374 -3.482 -1.887 1.00 0.00 C ATOM 0 H TRP A 43 -3.878 -0.283 -7.839 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.472 1.585 -5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.877 -0.635 -6.927 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.220 0.318 -5.611 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.888 -0.887 -5.539 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.167 -2.629 -3.654 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.013 -1.318 -4.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.468 -3.965 -1.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.635 -2.810 -2.269 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.087 -4.131 -1.073 1.00 0.00 H new ATOM 664 N THR A 44 -1.543 2.946 -6.606 1.00 0.00 N ATOM 665 CA THR A 44 -0.731 3.945 -7.360 1.00 0.00 C ATOM 666 C THR A 44 0.538 4.264 -6.574 1.00 0.00 C ATOM 667 O THR A 44 0.493 4.537 -5.389 1.00 0.00 O ATOM 668 CB THR A 44 -1.607 5.190 -7.499 1.00 0.00 C ATOM 669 OG1 THR A 44 -1.929 5.692 -6.211 1.00 0.00 O ATOM 670 CG2 THR A 44 -2.893 4.840 -8.251 1.00 0.00 C ATOM 0 H THR A 44 -1.454 2.996 -5.591 1.00 0.00 H new ATOM 0 HA THR A 44 -0.430 3.572 -8.339 1.00 0.00 H new ATOM 0 HB THR A 44 -1.062 5.950 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.489 6.491 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.513 5.732 -8.347 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.643 4.463 -9.243 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.440 4.075 -7.700 1.00 0.00 H new ATOM 678 N TYR A 45 1.668 4.223 -7.225 1.00 0.00 N ATOM 679 CA TYR A 45 2.952 4.514 -6.524 1.00 0.00 C ATOM 680 C TYR A 45 3.265 6.014 -6.610 1.00 0.00 C ATOM 681 O TYR A 45 2.701 6.726 -7.421 1.00 0.00 O ATOM 682 CB TYR A 45 4.005 3.694 -7.280 1.00 0.00 C ATOM 683 CG TYR A 45 5.373 3.933 -6.683 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.617 3.625 -5.340 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.397 4.466 -7.476 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.884 3.849 -4.789 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.664 4.690 -6.925 1.00 0.00 C ATOM 688 CZ TYR A 45 7.908 4.382 -5.581 1.00 0.00 C ATOM 689 OH TYR A 45 9.157 4.602 -5.038 1.00 0.00 O ATOM 0 H TYR A 45 1.758 4.000 -8.216 1.00 0.00 H new ATOM 0 HA TYR A 45 2.921 4.257 -5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.757 2.634 -7.229 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.006 3.971 -8.334 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.827 3.214 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.209 4.704 -8.513 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.072 3.611 -3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.454 5.101 -7.537 1.00 0.00 H new ATOM 0 HH TYR A 45 9.751 4.974 -5.723 1.00 0.00 H new ATOM 699 N ASP A 46 4.166 6.495 -5.789 1.00 0.00 N ATOM 700 CA ASP A 46 4.525 7.948 -5.830 1.00 0.00 C ATOM 701 C ASP A 46 6.040 8.114 -5.698 1.00 0.00 C ATOM 702 O ASP A 46 6.660 7.540 -4.821 1.00 0.00 O ATOM 703 CB ASP A 46 3.816 8.597 -4.634 1.00 0.00 C ATOM 704 CG ASP A 46 2.315 8.295 -4.684 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.709 8.570 -5.707 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.797 7.795 -3.699 1.00 0.00 O ATOM 0 H ASP A 46 4.669 5.945 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 46 4.222 8.410 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.240 8.221 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.979 9.675 -4.646 1.00 0.00 H new ATOM 711 N ASP A 47 6.638 8.899 -6.557 1.00 0.00 N ATOM 712 CA ASP A 47 8.116 9.113 -6.482 1.00 0.00 C ATOM 713 C ASP A 47 8.473 10.084 -5.343 1.00 0.00 C ATOM 714 O ASP A 47 9.634 10.343 -5.091 1.00 0.00 O ATOM 715 CB ASP A 47 8.500 9.711 -7.837 1.00 0.00 C ATOM 716 CG ASP A 47 10.018 9.895 -7.904 1.00 0.00 C ATOM 717 OD1 ASP A 47 10.723 8.930 -7.660 1.00 0.00 O ATOM 718 OD2 ASP A 47 10.448 10.998 -8.197 1.00 0.00 O ATOM 0 H ASP A 47 6.166 9.402 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 47 8.650 8.185 -6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.167 9.057 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.001 10.670 -7.978 1.00 0.00 H new ATOM 723 N ALA A 48 7.490 10.619 -4.652 1.00 0.00 N ATOM 724 CA ALA A 48 7.782 11.567 -3.531 1.00 0.00 C ATOM 725 C ALA A 48 8.653 10.881 -2.472 1.00 0.00 C ATOM 726 O ALA A 48 9.827 11.169 -2.338 1.00 0.00 O ATOM 727 CB ALA A 48 6.412 11.923 -2.946 1.00 0.00 C ATOM 0 H ALA A 48 6.500 10.439 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 48 8.325 12.450 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.540 12.617 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.797 12.388 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.922 11.017 -2.589 1.00 0.00 H new ATOM 733 N THR A 49 8.080 9.973 -1.728 1.00 0.00 N ATOM 734 CA THR A 49 8.854 9.250 -0.675 1.00 0.00 C ATOM 735 C THR A 49 8.545 7.753 -0.755 1.00 0.00 C ATOM 736 O THR A 49 8.414 7.079 0.248 1.00 0.00 O ATOM 737 CB THR A 49 8.361 9.838 0.652 1.00 0.00 C ATOM 738 OG1 THR A 49 9.053 9.218 1.727 1.00 0.00 O ATOM 739 CG2 THR A 49 6.857 9.590 0.800 1.00 0.00 C ATOM 0 H THR A 49 7.101 9.698 -1.805 1.00 0.00 H new ATOM 0 HA THR A 49 9.932 9.364 -0.787 1.00 0.00 H new ATOM 0 HB THR A 49 8.551 10.911 0.666 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.949 8.245 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.510 10.009 1.744 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.327 10.066 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.662 8.518 0.786 1.00 0.00 H new ATOM 747 N LYS A 50 8.408 7.239 -1.951 1.00 0.00 N ATOM 748 CA LYS A 50 8.085 5.790 -2.138 1.00 0.00 C ATOM 749 C LYS A 50 6.779 5.433 -1.418 1.00 0.00 C ATOM 750 O LYS A 50 6.746 4.572 -0.560 1.00 0.00 O ATOM 751 CB LYS A 50 9.266 5.002 -1.553 1.00 0.00 C ATOM 752 CG LYS A 50 10.562 5.421 -2.252 1.00 0.00 C ATOM 753 CD LYS A 50 11.726 4.586 -1.714 1.00 0.00 C ATOM 754 CE LYS A 50 12.405 5.335 -0.565 1.00 0.00 C ATOM 755 NZ LYS A 50 13.270 6.350 -1.227 1.00 0.00 N ATOM 0 H LYS A 50 8.507 7.768 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 50 7.941 5.550 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.343 5.186 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.101 3.932 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.468 5.282 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.752 6.481 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.363 3.618 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.445 4.390 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.670 5.807 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.993 4.658 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.242 6.265 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.266 6.192 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.907 7.303 -1.021 1.00 0.00 H new ATOM 769 N THR A 51 5.702 6.086 -1.778 1.00 0.00 N ATOM 770 CA THR A 51 4.385 5.790 -1.137 1.00 0.00 C ATOM 771 C THR A 51 3.520 4.972 -2.101 1.00 0.00 C ATOM 772 O THR A 51 3.893 4.747 -3.237 1.00 0.00 O ATOM 773 CB THR A 51 3.750 7.158 -0.872 1.00 0.00 C ATOM 774 OG1 THR A 51 4.705 8.010 -0.260 1.00 0.00 O ATOM 775 CG2 THR A 51 2.540 6.999 0.053 1.00 0.00 C ATOM 0 H THR A 51 5.679 6.814 -2.492 1.00 0.00 H new ATOM 0 HA THR A 51 4.487 5.212 -0.219 1.00 0.00 H new ATOM 0 HB THR A 51 3.424 7.593 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.301 8.887 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.093 7.976 0.238 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.805 6.346 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.860 6.562 0.999 1.00 0.00 H new ATOM 783 N TRP A 52 2.374 4.519 -1.656 1.00 0.00 N ATOM 784 CA TRP A 52 1.491 3.709 -2.545 1.00 0.00 C ATOM 785 C TRP A 52 0.020 4.071 -2.325 1.00 0.00 C ATOM 786 O TRP A 52 -0.302 5.018 -1.634 1.00 0.00 O ATOM 787 CB TRP A 52 1.727 2.267 -2.117 1.00 0.00 C ATOM 788 CG TRP A 52 2.986 1.744 -2.719 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.192 1.704 -2.111 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.170 1.170 -4.034 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.112 1.149 -2.986 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.525 0.803 -4.189 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.292 0.944 -5.096 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.992 0.225 -5.370 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.751 0.362 -6.289 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.101 0.004 -6.426 1.00 0.00 C ATOM 0 H TRP A 52 2.013 4.676 -0.715 1.00 0.00 H new ATOM 0 HA TRP A 52 1.712 3.882 -3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.785 2.209 -1.030 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.885 1.647 -2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.404 2.048 -1.109 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.099 1.013 -2.770 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.252 1.219 -4.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.032 -0.049 -5.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.063 0.189 -7.103 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.452 -0.441 -7.345 1.00 0.00 H new ATOM 807 N THR A 53 -0.875 3.306 -2.905 1.00 0.00 N ATOM 808 CA THR A 53 -2.333 3.577 -2.732 1.00 0.00 C ATOM 809 C THR A 53 -3.143 2.303 -3.001 1.00 0.00 C ATOM 810 O THR A 53 -2.609 1.298 -3.431 1.00 0.00 O ATOM 811 CB THR A 53 -2.674 4.658 -3.761 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.674 5.667 -3.742 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.030 5.279 -3.425 1.00 0.00 C ATOM 0 H THR A 53 -0.654 2.502 -3.493 1.00 0.00 H new ATOM 0 HA THR A 53 -2.570 3.899 -1.718 1.00 0.00 H new ATOM 0 HB THR A 53 -2.717 4.208 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.384 5.857 -4.659 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.270 6.048 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.799 4.507 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.989 5.726 -2.432 1.00 0.00 H new ATOM 821 N VAL A 54 -4.426 2.338 -2.741 1.00 0.00 N ATOM 822 CA VAL A 54 -5.288 1.130 -2.967 1.00 0.00 C ATOM 823 C VAL A 54 -6.765 1.511 -2.786 1.00 0.00 C ATOM 824 O VAL A 54 -7.367 1.237 -1.765 1.00 0.00 O ATOM 825 CB VAL A 54 -4.831 0.089 -1.913 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.759 0.731 -0.533 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.810 -1.090 -1.846 1.00 0.00 C ATOM 0 H VAL A 54 -4.919 3.155 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.190 0.725 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.847 -0.271 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.437 -0.011 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.046 1.555 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.743 1.109 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.467 -1.806 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.800 -0.726 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.860 -1.577 -2.820 1.00 0.00 H new ATOM 837 N THR A 55 -7.346 2.138 -3.777 1.00 0.00 N ATOM 838 CA THR A 55 -8.782 2.541 -3.679 1.00 0.00 C ATOM 839 C THR A 55 -9.687 1.343 -3.979 1.00 0.00 C ATOM 840 O THR A 55 -9.432 0.577 -4.889 1.00 0.00 O ATOM 841 CB THR A 55 -8.963 3.628 -4.741 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.838 4.495 -4.727 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.230 4.429 -4.441 1.00 0.00 C ATOM 0 H THR A 55 -6.887 2.389 -4.652 1.00 0.00 H new ATOM 0 HA THR A 55 -9.044 2.897 -2.683 1.00 0.00 H new ATOM 0 HB THR A 55 -9.052 3.165 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.952 5.190 -5.408 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.359 5.203 -5.197 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.093 3.763 -4.453 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.143 4.893 -3.458 1.00 0.00 H new ATOM 851 N GLU A 56 -10.743 1.177 -3.220 1.00 0.00 N ATOM 852 CA GLU A 56 -11.671 0.026 -3.459 1.00 0.00 C ATOM 853 C GLU A 56 -12.256 0.101 -4.873 1.00 0.00 C ATOM 854 O GLU A 56 -12.115 1.139 -5.497 1.00 0.00 O ATOM 855 CB GLU A 56 -12.779 0.177 -2.413 1.00 0.00 C ATOM 856 CG GLU A 56 -13.160 -1.201 -1.865 1.00 0.00 C ATOM 857 CD GLU A 56 -14.366 -1.744 -2.635 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.354 -1.035 -2.725 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.280 -2.860 -3.120 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.836 -0.882 -5.305 1.00 0.00 O ATOM 0 H GLU A 56 -11.003 1.788 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.162 -0.934 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.441 0.821 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.651 0.656 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.318 -1.886 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.396 -1.129 -0.803 1.00 0.00 H new TER 867 GLU A 56