USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 536 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 Single : A 3 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00371) USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.14) USER MOD Single : A 5 SER OG : rot 118:sc= -0.0444 USER MOD Single : A 12 SER OG : rot 102:sc= 0.826 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 16 LYS NZ :NH3+ 143:sc= 0.379 (180deg=-0.425) USER MOD Single : A 24 CYS SG : rot 28:sc= 0.0682 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0.919 (180deg=0.915) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 32 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-3.7!) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.773! (180deg=-2.66!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 133:sc= -0.0566 (180deg=-0.37) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.52 K(o=0.52,f=-4.2!) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.508 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -63:sc= 0.753 USER MOD Single : A 61 SER OG : rot 23:sc= 1.28 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 2.4 (180deg=2.4) USER MOD Single : A 68 ASN : amide:sc= 0.00407 X(o=0.0041,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -15.584 -3.066 7.865 1.00 0.00 N ATOM 2 CA LYS A 3 -15.012 -4.323 7.406 1.00 0.00 C ATOM 3 C LYS A 3 -14.407 -4.148 6.023 1.00 0.00 C ATOM 4 O LYS A 3 -15.081 -3.680 5.101 1.00 0.00 O ATOM 5 CB LYS A 3 -16.071 -5.430 7.381 1.00 0.00 C ATOM 6 CG LYS A 3 -16.027 -6.356 8.588 1.00 0.00 C ATOM 7 CD LYS A 3 -14.725 -7.137 8.631 1.00 0.00 C ATOM 8 CE LYS A 3 -14.749 -8.222 9.695 1.00 0.00 C ATOM 9 NZ LYS A 3 -14.875 -7.670 11.071 1.00 0.00 N ATOM 0 HA LYS A 3 -14.228 -4.616 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.059 -4.973 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.940 -6.023 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.135 -5.772 9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.869 -7.048 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.540 -7.589 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.898 -6.454 8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.582 -8.898 9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.836 -8.813 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.852 -8.448 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.086 -7.019 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.775 -7.156 11.158 1.00 0.00 H new ATOM 23 N LYS A 4 -13.130 -4.516 5.899 1.00 0.00 N ATOM 24 CA LYS A 4 -12.373 -4.376 4.652 1.00 0.00 C ATOM 25 C LYS A 4 -12.104 -2.907 4.335 1.00 0.00 C ATOM 26 O LYS A 4 -12.803 -2.013 4.815 1.00 0.00 O ATOM 27 CB LYS A 4 -13.084 -5.066 3.479 1.00 0.00 C ATOM 28 CG LYS A 4 -13.185 -6.580 3.631 1.00 0.00 C ATOM 29 CD LYS A 4 -11.820 -7.254 3.538 1.00 0.00 C ATOM 30 CE LYS A 4 -11.294 -7.262 2.112 1.00 0.00 C ATOM 31 NZ LYS A 4 -9.975 -7.940 2.003 1.00 0.00 N ATOM 0 H LYS A 4 -12.589 -4.921 6.663 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.414 -4.874 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.087 -4.652 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.551 -4.837 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.643 -6.819 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.840 -6.979 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.113 -6.734 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.894 -8.278 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.013 -7.764 1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.204 -6.236 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.672 -7.951 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.273 -7.427 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.057 -8.917 2.351 1.00 0.00 H new ATOM 45 N SER A 5 -11.083 -2.680 3.515 1.00 0.00 N ATOM 46 CA SER A 5 -10.605 -1.346 3.187 1.00 0.00 C ATOM 47 C SER A 5 -10.078 -0.636 4.427 1.00 0.00 C ATOM 48 O SER A 5 -10.824 -0.275 5.342 1.00 0.00 O ATOM 49 CB SER A 5 -11.705 -0.548 2.503 1.00 0.00 C ATOM 50 OG SER A 5 -11.304 0.781 2.237 1.00 0.00 O ATOM 0 H SER A 5 -10.560 -3.426 3.056 1.00 0.00 H new ATOM 0 HA SER A 5 -9.772 -1.433 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.982 -1.038 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.594 -0.540 3.134 1.00 0.00 H new ATOM 0 HG SER A 5 -11.312 0.938 1.270 1.00 0.00 H new ATOM 56 N ARG A 6 -8.782 -0.429 4.430 1.00 0.00 N ATOM 57 CA ARG A 6 -8.090 0.075 5.604 1.00 0.00 C ATOM 58 C ARG A 6 -7.279 1.316 5.252 1.00 0.00 C ATOM 59 O ARG A 6 -7.238 1.723 4.095 1.00 0.00 O ATOM 60 CB ARG A 6 -7.207 -1.032 6.180 1.00 0.00 C ATOM 61 CG ARG A 6 -6.000 -1.382 5.338 1.00 0.00 C ATOM 62 CD ARG A 6 -5.440 -2.735 5.739 1.00 0.00 C ATOM 63 NE ARG A 6 -6.277 -3.831 5.252 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.514 -4.962 5.922 1.00 0.00 C ATOM 65 NH1 ARG A 6 -6.103 -5.100 7.177 1.00 0.00 N ATOM 66 NH2 ARG A 6 -7.176 -5.952 5.332 1.00 0.00 N ATOM 0 H ARG A 6 -8.177 -0.602 3.627 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.816 0.369 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.866 -0.728 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.812 -1.929 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.277 -1.396 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.233 -0.616 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.431 -2.844 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.363 -2.790 6.825 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.711 -3.724 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.602 -4.339 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.288 -5.967 7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.501 -5.847 4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.359 -6.817 5.840 1.00 0.00 H new ATOM 80 N LEU A 7 -6.641 1.907 6.250 1.00 0.00 N ATOM 81 CA LEU A 7 -5.980 3.197 6.086 1.00 0.00 C ATOM 82 C LEU A 7 -4.529 3.025 5.633 1.00 0.00 C ATOM 83 O LEU A 7 -3.717 2.414 6.330 1.00 0.00 O ATOM 84 CB LEU A 7 -6.054 3.970 7.414 1.00 0.00 C ATOM 85 CG LEU A 7 -5.854 5.492 7.341 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.402 5.846 7.074 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.756 6.098 6.276 1.00 0.00 C ATOM 0 H LEU A 7 -6.566 1.513 7.188 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.492 3.763 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.027 3.776 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.302 3.560 8.088 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.127 5.912 8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.294 6.930 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.778 5.453 7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.090 5.410 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.601 7.176 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.516 5.663 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.798 5.890 6.520 1.00 0.00 H new ATOM 99 N TRP A 8 -4.224 3.570 4.460 1.00 0.00 N ATOM 100 CA TRP A 8 -2.865 3.567 3.917 1.00 0.00 C ATOM 101 C TRP A 8 -2.280 4.974 3.971 1.00 0.00 C ATOM 102 O TRP A 8 -3.016 5.955 3.846 1.00 0.00 O ATOM 103 CB TRP A 8 -2.862 3.073 2.467 1.00 0.00 C ATOM 104 CG TRP A 8 -3.388 1.683 2.300 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.677 1.275 2.448 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.637 0.522 1.939 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.777 -0.072 2.218 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.535 -0.559 1.897 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.292 0.293 1.649 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.129 -1.852 1.577 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.889 -0.988 1.329 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.805 -2.046 1.295 1.00 0.00 C ATOM 0 H TRP A 8 -4.909 4.026 3.858 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.258 2.893 4.521 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.460 3.753 1.860 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.843 3.114 2.081 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.503 1.920 2.709 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.634 -0.622 2.276 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.579 1.103 1.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.833 -2.671 1.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.150 -1.177 1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.459 -3.037 1.041 1.00 0.00 H new ATOM 123 N VAL A 9 -0.967 5.072 4.155 1.00 0.00 N ATOM 124 CA VAL A 9 -0.290 6.369 4.234 1.00 0.00 C ATOM 125 C VAL A 9 0.914 6.401 3.294 1.00 0.00 C ATOM 126 O VAL A 9 1.595 5.390 3.119 1.00 0.00 O ATOM 127 CB VAL A 9 0.190 6.665 5.675 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.777 8.063 5.777 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.942 6.498 6.670 1.00 0.00 C ATOM 0 H VAL A 9 -0.346 4.269 4.253 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.011 7.131 3.937 1.00 0.00 H new ATOM 0 HB VAL A 9 0.971 5.944 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.107 8.245 6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.627 8.151 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.019 8.797 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.578 6.712 7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.749 7.188 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.314 5.474 6.629 1.00 0.00 H new ATOM 139 N ASP A 10 1.175 7.550 2.672 1.00 0.00 N ATOM 140 CA ASP A 10 2.334 7.665 1.785 1.00 0.00 C ATOM 141 C ASP A 10 3.605 8.028 2.552 1.00 0.00 C ATOM 142 O ASP A 10 3.582 8.192 3.772 1.00 0.00 O ATOM 143 CB ASP A 10 2.100 8.692 0.675 1.00 0.00 C ATOM 144 CG ASP A 10 2.296 10.126 1.124 1.00 0.00 C ATOM 145 OD1 ASP A 10 1.375 10.689 1.737 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.372 10.704 0.849 1.00 0.00 O ATOM 0 H ASP A 10 0.614 8.397 2.761 1.00 0.00 H new ATOM 0 HA ASP A 10 2.468 6.682 1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.779 8.483 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.086 8.575 0.291 1.00 0.00 H new ATOM 151 N ARG A 11 4.702 8.162 1.814 1.00 0.00 N ATOM 152 CA ARG A 11 6.019 8.456 2.377 1.00 0.00 C ATOM 153 C ARG A 11 5.983 9.691 3.279 1.00 0.00 C ATOM 154 O ARG A 11 6.525 9.677 4.386 1.00 0.00 O ATOM 155 CB ARG A 11 7.015 8.647 1.220 1.00 0.00 C ATOM 156 CG ARG A 11 8.452 8.968 1.624 1.00 0.00 C ATOM 157 CD ARG A 11 8.696 10.467 1.759 1.00 0.00 C ATOM 158 NE ARG A 11 8.018 11.230 0.709 1.00 0.00 N ATOM 159 CZ ARG A 11 8.544 11.524 -0.482 1.00 0.00 C ATOM 160 NH1 ARG A 11 9.775 11.144 -0.790 1.00 0.00 N ATOM 161 NH2 ARG A 11 7.819 12.194 -1.367 1.00 0.00 N ATOM 0 H ARG A 11 4.704 8.069 0.798 1.00 0.00 H new ATOM 0 HA ARG A 11 6.335 7.621 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.022 7.738 0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.650 9.450 0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.678 8.479 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.136 8.557 0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.347 10.805 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.767 10.665 1.717 1.00 0.00 H new ATOM 0 HE ARG A 11 7.073 11.562 0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.331 10.621 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.166 11.374 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.868 12.480 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.212 12.423 -2.280 1.00 0.00 H new ATOM 175 N SER A 12 5.320 10.740 2.816 1.00 0.00 N ATOM 176 CA SER A 12 5.300 12.004 3.535 1.00 0.00 C ATOM 177 C SER A 12 4.159 12.041 4.548 1.00 0.00 C ATOM 178 O SER A 12 4.177 12.828 5.498 1.00 0.00 O ATOM 179 CB SER A 12 5.151 13.157 2.546 1.00 0.00 C ATOM 180 OG SER A 12 6.039 12.999 1.454 1.00 0.00 O ATOM 0 H SER A 12 4.789 10.741 1.945 1.00 0.00 H new ATOM 0 HA SER A 12 6.241 12.105 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.124 13.200 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.351 14.103 3.050 1.00 0.00 H new ATOM 0 HG SER A 12 5.546 12.659 0.678 1.00 0.00 H new ATOM 186 N GLY A 13 3.166 11.187 4.337 1.00 0.00 N ATOM 187 CA GLY A 13 1.997 11.177 5.194 1.00 0.00 C ATOM 188 C GLY A 13 0.954 12.165 4.725 1.00 0.00 C ATOM 189 O GLY A 13 0.007 12.481 5.447 1.00 0.00 O ATOM 0 H GLY A 13 3.150 10.499 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.568 10.175 5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.292 11.416 6.216 1.00 0.00 H new ATOM 193 N THR A 14 1.124 12.632 3.499 1.00 0.00 N ATOM 194 CA THR A 14 0.266 13.651 2.932 1.00 0.00 C ATOM 195 C THR A 14 -1.090 13.068 2.557 1.00 0.00 C ATOM 196 O THR A 14 -2.123 13.716 2.746 1.00 0.00 O ATOM 197 CB THR A 14 0.917 14.284 1.691 1.00 0.00 C ATOM 198 OG1 THR A 14 2.282 14.620 1.984 1.00 0.00 O ATOM 199 CG2 THR A 14 0.166 15.534 1.254 1.00 0.00 C ATOM 0 H THR A 14 1.862 12.313 2.871 1.00 0.00 H new ATOM 0 HA THR A 14 0.122 14.423 3.688 1.00 0.00 H new ATOM 0 HB THR A 14 0.879 13.560 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.697 15.022 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.649 15.960 0.375 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.864 15.273 1.012 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.175 16.265 2.062 1.00 0.00 H new ATOM 207 N PHE A 15 -1.098 11.847 2.034 1.00 0.00 N ATOM 208 CA PHE A 15 -2.359 11.215 1.704 1.00 0.00 C ATOM 209 C PHE A 15 -2.555 9.922 2.461 1.00 0.00 C ATOM 210 O PHE A 15 -1.732 9.008 2.417 1.00 0.00 O ATOM 211 CB PHE A 15 -2.568 11.022 0.185 1.00 0.00 C ATOM 212 CG PHE A 15 -1.555 10.176 -0.552 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.681 8.791 -0.622 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.499 10.776 -1.218 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.775 8.034 -1.338 1.00 0.00 C ATOM 216 CE2 PHE A 15 0.412 10.019 -1.930 1.00 0.00 C ATOM 217 CZ PHE A 15 0.274 8.646 -1.991 1.00 0.00 C ATOM 0 H PHE A 15 -0.266 11.291 1.835 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.133 11.911 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.552 10.578 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.587 12.007 -0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.497 8.303 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.386 11.849 -1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.888 6.961 -1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.233 10.502 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.985 8.054 -2.548 1.00 0.00 H new ATOM 227 N LYS A 16 -3.639 9.898 3.209 1.00 0.00 N ATOM 228 CA LYS A 16 -4.105 8.701 3.860 1.00 0.00 C ATOM 229 C LYS A 16 -5.412 8.302 3.205 1.00 0.00 C ATOM 230 O LYS A 16 -6.299 9.139 3.027 1.00 0.00 O ATOM 231 CB LYS A 16 -4.326 8.951 5.352 1.00 0.00 C ATOM 232 CG LYS A 16 -3.139 9.588 6.057 1.00 0.00 C ATOM 233 CD LYS A 16 -3.461 9.888 7.511 1.00 0.00 C ATOM 234 CE LYS A 16 -2.363 10.701 8.178 1.00 0.00 C ATOM 235 NZ LYS A 16 -2.142 12.004 7.494 1.00 0.00 N ATOM 0 H LYS A 16 -4.222 10.717 3.381 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.364 7.908 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.197 9.594 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.558 8.003 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.279 8.921 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.860 10.509 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.403 10.433 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.600 8.952 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.626 10.879 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.436 10.128 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.928 12.736 8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.344 11.918 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.999 12.270 6.969 1.00 0.00 H new ATOM 249 N VAL A 17 -5.533 7.047 2.830 1.00 0.00 N ATOM 250 CA VAL A 17 -6.724 6.589 2.133 1.00 0.00 C ATOM 251 C VAL A 17 -7.200 5.252 2.640 1.00 0.00 C ATOM 252 O VAL A 17 -6.406 4.401 3.031 1.00 0.00 O ATOM 253 CB VAL A 17 -6.513 6.484 0.609 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.932 7.772 -0.072 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.067 6.142 0.274 1.00 0.00 C ATOM 0 H VAL A 17 -4.829 6.327 2.993 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.481 7.346 2.337 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.140 5.674 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.777 7.682 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.986 7.963 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.334 8.598 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.950 6.075 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.410 6.920 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.805 5.186 0.727 1.00 0.00 H new ATOM 265 N ASP A 18 -8.509 5.088 2.629 1.00 0.00 N ATOM 266 CA ASP A 18 -9.118 3.811 2.938 1.00 0.00 C ATOM 267 C ASP A 18 -9.181 2.978 1.678 1.00 0.00 C ATOM 268 O ASP A 18 -9.721 3.409 0.661 1.00 0.00 O ATOM 269 CB ASP A 18 -10.519 3.983 3.532 1.00 0.00 C ATOM 270 CG ASP A 18 -11.423 4.852 2.673 1.00 0.00 C ATOM 271 OD1 ASP A 18 -12.010 4.340 1.700 1.00 0.00 O ATOM 272 OD2 ASP A 18 -11.540 6.063 2.961 1.00 0.00 O ATOM 0 H ASP A 18 -9.174 5.829 2.408 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.508 3.307 3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.978 3.002 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.435 4.425 4.525 1.00 0.00 H new ATOM 277 N ALA A 19 -8.610 1.804 1.740 1.00 0.00 N ATOM 278 CA ALA A 19 -8.524 0.945 0.578 1.00 0.00 C ATOM 279 C ALA A 19 -8.057 -0.437 0.971 1.00 0.00 C ATOM 280 O ALA A 19 -7.444 -0.622 2.022 1.00 0.00 O ATOM 281 CB ALA A 19 -7.578 1.541 -0.455 1.00 0.00 C ATOM 0 H ALA A 19 -8.194 1.415 2.586 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.519 0.865 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.525 0.883 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.946 2.519 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.585 1.648 -0.019 1.00 0.00 H new ATOM 287 N GLU A 20 -8.378 -1.407 0.148 1.00 0.00 N ATOM 288 CA GLU A 20 -7.856 -2.740 0.329 1.00 0.00 C ATOM 289 C GLU A 20 -6.906 -3.091 -0.785 1.00 0.00 C ATOM 290 O GLU A 20 -7.140 -2.763 -1.946 1.00 0.00 O ATOM 291 CB GLU A 20 -8.972 -3.770 0.391 1.00 0.00 C ATOM 292 CG GLU A 20 -9.212 -4.270 1.797 1.00 0.00 C ATOM 293 CD GLU A 20 -8.013 -4.970 2.392 1.00 0.00 C ATOM 294 OE1 GLU A 20 -7.027 -4.286 2.720 1.00 0.00 O ATOM 295 OE2 GLU A 20 -8.060 -6.204 2.555 1.00 0.00 O ATOM 0 H GLU A 20 -8.999 -1.298 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.321 -2.755 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.891 -3.331 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.723 -4.612 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.486 -3.428 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.060 -4.955 1.792 1.00 0.00 H new ATOM 302 N PHE A 21 -5.833 -3.756 -0.417 1.00 0.00 N ATOM 303 CA PHE A 21 -4.867 -4.225 -1.402 1.00 0.00 C ATOM 304 C PHE A 21 -5.498 -5.325 -2.239 1.00 0.00 C ATOM 305 O PHE A 21 -6.143 -6.233 -1.707 1.00 0.00 O ATOM 306 CB PHE A 21 -3.581 -4.743 -0.744 1.00 0.00 C ATOM 307 CG PHE A 21 -2.681 -5.499 -1.684 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.851 -6.862 -1.864 1.00 0.00 C ATOM 309 CD2 PHE A 21 -1.680 -4.855 -2.394 1.00 0.00 C ATOM 310 CE1 PHE A 21 -2.045 -7.567 -2.728 1.00 0.00 C ATOM 311 CE2 PHE A 21 -0.872 -5.558 -3.259 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.054 -6.914 -3.427 1.00 0.00 C ATOM 0 H PHE A 21 -5.603 -3.986 0.550 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.593 -3.381 -2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.031 -3.899 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.847 -5.392 0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.627 -7.378 -1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.533 -3.793 -2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.189 -8.629 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.094 -5.046 -3.807 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.420 -7.464 -4.106 1.00 0.00 H new ATOM 322 N ILE A 22 -5.325 -5.224 -3.540 1.00 0.00 N ATOM 323 CA ILE A 22 -5.848 -6.217 -4.455 1.00 0.00 C ATOM 324 C ILE A 22 -4.721 -6.838 -5.267 1.00 0.00 C ATOM 325 O ILE A 22 -4.618 -8.059 -5.377 1.00 0.00 O ATOM 326 CB ILE A 22 -6.861 -5.612 -5.444 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.313 -4.224 -4.998 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.067 -6.528 -5.592 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.181 -3.522 -6.018 1.00 0.00 C ATOM 0 H ILE A 22 -4.823 -4.459 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.346 -6.970 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.364 -5.513 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.864 -4.312 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.435 -3.611 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.775 -6.087 -6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.743 -7.499 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.549 -6.654 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.467 -2.541 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.626 -3.403 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.077 -4.115 -6.203 1.00 0.00 H new ATOM 341 N GLY A 23 -3.875 -5.986 -5.834 1.00 0.00 N ATOM 342 CA GLY A 23 -2.810 -6.461 -6.689 1.00 0.00 C ATOM 343 C GLY A 23 -1.578 -5.584 -6.620 1.00 0.00 C ATOM 344 O GLY A 23 -1.681 -4.373 -6.477 1.00 0.00 O ATOM 0 H GLY A 23 -3.910 -4.974 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.544 -7.479 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.166 -6.502 -7.719 1.00 0.00 H new ATOM 348 N CYS A 24 -0.409 -6.191 -6.709 1.00 0.00 N ATOM 349 CA CYS A 24 0.838 -5.442 -6.667 1.00 0.00 C ATOM 350 C CYS A 24 1.659 -5.725 -7.923 1.00 0.00 C ATOM 351 O CYS A 24 2.078 -6.862 -8.164 1.00 0.00 O ATOM 352 CB CYS A 24 1.622 -5.800 -5.398 1.00 0.00 C ATOM 353 SG CYS A 24 2.153 -7.528 -5.311 1.00 0.00 S ATOM 0 H CYS A 24 -0.295 -7.199 -6.811 1.00 0.00 H new ATOM 0 HA CYS A 24 0.619 -4.375 -6.639 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.501 -5.159 -5.335 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.003 -5.578 -4.528 1.00 0.00 H new ATOM 0 HG CYS A 24 2.306 -7.996 -6.514 1.00 0.00 H new ATOM 359 N ALA A 25 1.859 -4.697 -8.739 1.00 0.00 N ATOM 360 CA ALA A 25 2.557 -4.853 -10.010 1.00 0.00 C ATOM 361 C ALA A 25 3.192 -3.541 -10.446 1.00 0.00 C ATOM 362 O ALA A 25 2.645 -2.470 -10.183 1.00 0.00 O ATOM 363 CB ALA A 25 1.603 -5.359 -11.084 1.00 0.00 C ATOM 0 H ALA A 25 1.548 -3.746 -8.543 1.00 0.00 H new ATOM 0 HA ALA A 25 3.350 -5.588 -9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.141 -5.470 -12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.196 -6.324 -10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.789 -4.646 -11.213 1.00 0.00 H new ATOM 369 N LYS A 26 4.349 -3.638 -11.105 1.00 0.00 N ATOM 370 CA LYS A 26 5.065 -2.475 -11.632 1.00 0.00 C ATOM 371 C LYS A 26 5.402 -1.485 -10.524 1.00 0.00 C ATOM 372 O LYS A 26 5.390 -0.268 -10.737 1.00 0.00 O ATOM 373 CB LYS A 26 4.245 -1.781 -12.723 1.00 0.00 C ATOM 374 CG LYS A 26 3.894 -2.689 -13.888 1.00 0.00 C ATOM 375 CD LYS A 26 5.137 -3.250 -14.556 1.00 0.00 C ATOM 376 CE LYS A 26 4.782 -4.189 -15.697 1.00 0.00 C ATOM 377 NZ LYS A 26 4.064 -3.490 -16.795 1.00 0.00 N ATOM 0 H LYS A 26 4.816 -4.526 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 26 5.998 -2.833 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.325 -1.394 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.805 -0.924 -13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.269 -3.509 -13.535 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.307 -2.133 -14.619 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.749 -2.431 -14.935 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.738 -3.783 -13.819 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.693 -4.641 -16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.161 -5.001 -15.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.991 -4.121 -17.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.110 -3.228 -16.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.588 -2.632 -17.061 1.00 0.00 H new ATOM 391 N GLY A 27 5.687 -2.014 -9.341 1.00 0.00 N ATOM 392 CA GLY A 27 5.980 -1.174 -8.196 1.00 0.00 C ATOM 393 C GLY A 27 4.781 -0.357 -7.757 1.00 0.00 C ATOM 394 O GLY A 27 4.920 0.624 -7.031 1.00 0.00 O ATOM 0 H GLY A 27 5.720 -3.016 -9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.314 -1.798 -7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.803 -0.503 -8.442 1.00 0.00 H new ATOM 398 N LYS A 28 3.602 -0.755 -8.207 1.00 0.00 N ATOM 399 CA LYS A 28 2.373 -0.067 -7.848 1.00 0.00 C ATOM 400 C LYS A 28 1.492 -0.977 -7.023 1.00 0.00 C ATOM 401 O LYS A 28 1.554 -2.205 -7.148 1.00 0.00 O ATOM 402 CB LYS A 28 1.590 0.344 -9.089 1.00 0.00 C ATOM 403 CG LYS A 28 2.411 1.059 -10.141 1.00 0.00 C ATOM 404 CD LYS A 28 2.748 2.477 -9.730 1.00 0.00 C ATOM 405 CE LYS A 28 3.713 3.118 -10.713 1.00 0.00 C ATOM 406 NZ LYS A 28 5.050 2.461 -10.690 1.00 0.00 N ATOM 0 H LYS A 28 3.470 -1.556 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 28 2.650 0.821 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.147 -0.546 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.767 0.992 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.332 0.505 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.860 1.075 -11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.835 3.069 -9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.188 2.475 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.298 3.060 -11.719 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.824 4.176 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.698 2.970 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.429 2.478 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.958 1.475 -11.008 1.00 0.00 H new ATOM 420 N ILE A 29 0.660 -0.374 -6.208 1.00 0.00 N ATOM 421 CA ILE A 29 -0.275 -1.113 -5.395 1.00 0.00 C ATOM 422 C ILE A 29 -1.701 -0.810 -5.834 1.00 0.00 C ATOM 423 O ILE A 29 -2.177 0.319 -5.712 1.00 0.00 O ATOM 424 CB ILE A 29 -0.097 -0.780 -3.903 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.335 -1.098 -3.469 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.098 -1.556 -3.061 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.662 -0.655 -2.064 1.00 0.00 C ATOM 0 H ILE A 29 0.612 0.638 -6.090 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.077 -2.176 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.282 0.284 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.497 -2.173 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.028 -0.620 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.958 -1.308 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.111 -1.291 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.944 -2.625 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.694 -0.916 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.534 0.424 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.995 -1.153 -1.361 1.00 0.00 H new ATOM 439 N HIS A 30 -2.351 -1.823 -6.379 1.00 0.00 N ATOM 440 CA HIS A 30 -3.722 -1.744 -6.793 1.00 0.00 C ATOM 441 C HIS A 30 -4.614 -1.793 -5.564 1.00 0.00 C ATOM 442 O HIS A 30 -4.576 -2.768 -4.810 1.00 0.00 O ATOM 443 CB HIS A 30 -3.999 -2.921 -7.721 1.00 0.00 C ATOM 444 CG HIS A 30 -3.573 -2.689 -9.139 1.00 0.00 C ATOM 445 ND1 HIS A 30 -4.458 -2.513 -10.179 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.336 -2.615 -9.688 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.788 -2.342 -11.301 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.500 -2.399 -11.033 1.00 0.00 N ATOM 0 H HIS A 30 -1.925 -2.735 -6.545 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.925 -0.813 -7.322 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.485 -3.802 -7.337 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.066 -3.141 -7.704 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.396 -2.709 -9.164 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.223 -2.182 -12.277 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.747 -2.299 -11.714 1.00 0.00 H new ATOM 457 N LEU A 31 -5.400 -0.749 -5.360 1.00 0.00 N ATOM 458 CA LEU A 31 -6.165 -0.611 -4.133 1.00 0.00 C ATOM 459 C LEU A 31 -7.644 -0.437 -4.417 1.00 0.00 C ATOM 460 O LEU A 31 -8.036 0.262 -5.354 1.00 0.00 O ATOM 461 CB LEU A 31 -5.656 0.574 -3.310 1.00 0.00 C ATOM 462 CG LEU A 31 -4.257 0.407 -2.712 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.813 1.684 -2.018 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.241 -0.757 -1.734 1.00 0.00 C ATOM 0 H LEU A 31 -5.525 0.013 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.031 -1.529 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.658 1.461 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.360 0.759 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.559 0.197 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.816 1.543 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.792 2.501 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.512 1.924 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.241 -0.866 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.952 -0.567 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.518 -1.674 -2.255 1.00 0.00 H new ATOM 476 N HIS A 32 -8.445 -1.080 -3.591 1.00 0.00 N ATOM 477 CA HIS A 32 -9.888 -1.037 -3.707 1.00 0.00 C ATOM 478 C HIS A 32 -10.463 -0.213 -2.560 1.00 0.00 C ATOM 479 O HIS A 32 -10.590 -0.707 -1.439 1.00 0.00 O ATOM 480 CB HIS A 32 -10.432 -2.473 -3.689 1.00 0.00 C ATOM 481 CG HIS A 32 -11.910 -2.596 -3.883 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.724 -3.272 -3.004 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.711 -2.174 -4.885 1.00 0.00 C ATOM 484 CE1 HIS A 32 -13.962 -3.262 -3.456 1.00 0.00 C ATOM 485 NE2 HIS A 32 -13.985 -2.601 -4.599 1.00 0.00 N ATOM 0 H HIS A 32 -8.110 -1.651 -2.815 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.182 -0.566 -4.645 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.930 -3.044 -4.470 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.167 -2.933 -2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.406 -1.606 -5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.814 -3.718 -2.973 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.811 -2.435 -5.174 1.00 0.00 H new ATOM 494 N LYS A 33 -10.767 1.055 -2.843 1.00 0.00 N ATOM 495 CA LYS A 33 -11.312 1.976 -1.850 1.00 0.00 C ATOM 496 C LYS A 33 -12.603 1.456 -1.246 1.00 0.00 C ATOM 497 O LYS A 33 -13.221 0.531 -1.778 1.00 0.00 O ATOM 498 CB LYS A 33 -11.591 3.335 -2.492 1.00 0.00 C ATOM 499 CG LYS A 33 -10.401 3.909 -3.223 1.00 0.00 C ATOM 500 CD LYS A 33 -9.280 4.268 -2.269 1.00 0.00 C ATOM 501 CE LYS A 33 -9.536 5.595 -1.576 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.655 5.549 -0.597 1.00 0.00 N ATOM 0 H LYS A 33 -10.642 1.470 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.568 2.071 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.423 3.235 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.906 4.036 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.039 3.186 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.707 4.797 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.172 3.482 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.339 4.319 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.627 5.908 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.754 6.353 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.513 6.281 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.555 5.720 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.681 4.614 -0.143 1.00 0.00 H new ATOM 516 N ALA A 34 -13.026 2.083 -0.161 1.00 0.00 N ATOM 517 CA ALA A 34 -14.273 1.709 0.496 1.00 0.00 C ATOM 518 C ALA A 34 -15.458 1.923 -0.444 1.00 0.00 C ATOM 519 O ALA A 34 -16.463 1.216 -0.369 1.00 0.00 O ATOM 520 CB ALA A 34 -14.452 2.492 1.788 1.00 0.00 C ATOM 0 H ALA A 34 -12.527 2.853 0.285 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.229 0.649 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.388 2.199 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.621 2.279 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.476 3.559 1.567 1.00 0.00 H new ATOM 526 N ASN A 35 -15.315 2.876 -1.363 1.00 0.00 N ATOM 527 CA ASN A 35 -16.373 3.171 -2.330 1.00 0.00 C ATOM 528 C ASN A 35 -16.271 2.265 -3.549 1.00 0.00 C ATOM 529 O ASN A 35 -16.945 2.486 -4.556 1.00 0.00 O ATOM 530 CB ASN A 35 -16.325 4.635 -2.782 1.00 0.00 C ATOM 531 CG ASN A 35 -16.793 5.603 -1.716 1.00 0.00 C ATOM 532 OD1 ASN A 35 -17.982 5.899 -1.607 1.00 0.00 O ATOM 533 ND2 ASN A 35 -15.864 6.105 -0.924 1.00 0.00 N ATOM 0 H ASN A 35 -14.481 3.455 -1.459 1.00 0.00 H new ATOM 0 HA ASN A 35 -17.323 2.988 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.304 4.887 -3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.945 4.755 -3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.122 6.764 -0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.888 5.834 -1.047 1.00 0.00 H new ATOM 540 N GLY A 36 -15.423 1.250 -3.461 1.00 0.00 N ATOM 541 CA GLY A 36 -15.259 0.327 -4.565 1.00 0.00 C ATOM 542 C GLY A 36 -14.478 0.931 -5.713 1.00 0.00 C ATOM 543 O GLY A 36 -14.655 0.544 -6.865 1.00 0.00 O ATOM 0 H GLY A 36 -14.846 1.049 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.747 -0.569 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.240 0.014 -4.922 1.00 0.00 H new ATOM 547 N VAL A 37 -13.615 1.882 -5.398 1.00 0.00 N ATOM 548 CA VAL A 37 -12.829 2.571 -6.412 1.00 0.00 C ATOM 549 C VAL A 37 -11.426 1.983 -6.480 1.00 0.00 C ATOM 550 O VAL A 37 -10.826 1.687 -5.450 1.00 0.00 O ATOM 551 CB VAL A 37 -12.736 4.083 -6.112 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.008 4.821 -7.227 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.122 4.670 -5.896 1.00 0.00 C ATOM 0 H VAL A 37 -13.439 2.197 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.330 2.435 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.160 4.210 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.958 5.883 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.998 4.424 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.546 4.685 -8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.037 5.736 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.723 4.524 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.601 4.171 -5.054 1.00 0.00 H new ATOM 563 N LYS A 38 -10.914 1.799 -7.684 1.00 0.00 N ATOM 564 CA LYS A 38 -9.570 1.268 -7.858 1.00 0.00 C ATOM 565 C LYS A 38 -8.570 2.374 -8.134 1.00 0.00 C ATOM 566 O LYS A 38 -8.734 3.162 -9.069 1.00 0.00 O ATOM 567 CB LYS A 38 -9.525 0.239 -8.984 1.00 0.00 C ATOM 568 CG LYS A 38 -9.731 -1.185 -8.507 1.00 0.00 C ATOM 569 CD LYS A 38 -9.592 -2.175 -9.652 1.00 0.00 C ATOM 570 CE LYS A 38 -9.825 -3.601 -9.184 1.00 0.00 C ATOM 571 NZ LYS A 38 -9.511 -4.600 -10.240 1.00 0.00 N ATOM 0 H LYS A 38 -11.405 2.008 -8.554 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.296 0.778 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.292 0.482 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.563 0.309 -9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.004 -1.420 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.719 -1.281 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.306 -1.927 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.596 -2.092 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.210 -3.798 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.865 -3.715 -8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.685 -5.558 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.116 -4.431 -11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.512 -4.511 -10.516 1.00 0.00 H new ATOM 585 N ILE A 39 -7.536 2.431 -7.312 1.00 0.00 N ATOM 586 CA ILE A 39 -6.459 3.390 -7.503 1.00 0.00 C ATOM 587 C ILE A 39 -5.115 2.672 -7.523 1.00 0.00 C ATOM 588 O ILE A 39 -4.938 1.651 -6.856 1.00 0.00 O ATOM 589 CB ILE A 39 -6.441 4.479 -6.401 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.251 3.852 -5.014 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.721 5.300 -6.444 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.158 4.869 -3.896 1.00 0.00 C ATOM 0 H ILE A 39 -7.419 1.822 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.636 3.883 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.597 5.141 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.083 3.178 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.345 3.247 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.692 6.060 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.811 5.782 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.578 4.646 -6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.024 4.353 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.308 5.528 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.074 5.459 -3.863 1.00 0.00 H new ATOM 604 N ALA A 40 -4.186 3.187 -8.316 1.00 0.00 N ATOM 605 CA ALA A 40 -2.833 2.660 -8.341 1.00 0.00 C ATOM 606 C ALA A 40 -1.920 3.555 -7.528 1.00 0.00 C ATOM 607 O ALA A 40 -1.531 4.634 -7.972 1.00 0.00 O ATOM 608 CB ALA A 40 -2.314 2.541 -9.769 1.00 0.00 C ATOM 0 H ALA A 40 -4.347 3.970 -8.950 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.846 1.662 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.299 2.144 -9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.959 1.869 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.312 3.525 -10.239 1.00 0.00 H new ATOM 614 N VAL A 41 -1.587 3.111 -6.336 1.00 0.00 N ATOM 615 CA VAL A 41 -0.687 3.855 -5.486 1.00 0.00 C ATOM 616 C VAL A 41 0.677 3.203 -5.519 1.00 0.00 C ATOM 617 O VAL A 41 0.848 2.081 -5.048 1.00 0.00 O ATOM 618 CB VAL A 41 -1.196 3.944 -4.031 1.00 0.00 C ATOM 619 CG1 VAL A 41 -0.154 4.587 -3.130 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.494 4.732 -3.972 1.00 0.00 C ATOM 0 H VAL A 41 -1.927 2.237 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.629 4.875 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.381 2.931 -3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.536 4.638 -2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.758 3.991 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.064 5.594 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.840 4.786 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.325 5.740 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.249 4.236 -4.582 1.00 0.00 H new ATOM 630 N ALA A 42 1.629 3.891 -6.125 1.00 0.00 N ATOM 631 CA ALA A 42 2.974 3.373 -6.256 1.00 0.00 C ATOM 632 C ALA A 42 3.554 3.043 -4.892 1.00 0.00 C ATOM 633 O ALA A 42 3.560 3.874 -3.982 1.00 0.00 O ATOM 634 CB ALA A 42 3.858 4.368 -6.985 1.00 0.00 C ATOM 0 H ALA A 42 1.491 4.815 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 42 2.933 2.455 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.866 3.962 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.452 4.555 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.892 5.303 -6.425 1.00 0.00 H new ATOM 640 N ALA A 43 4.042 1.823 -4.763 1.00 0.00 N ATOM 641 CA ALA A 43 4.616 1.347 -3.508 1.00 0.00 C ATOM 642 C ALA A 43 5.910 2.087 -3.181 1.00 0.00 C ATOM 643 O ALA A 43 6.458 1.956 -2.092 1.00 0.00 O ATOM 644 CB ALA A 43 4.878 -0.149 -3.590 1.00 0.00 C ATOM 0 H ALA A 43 4.054 1.135 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 43 3.900 1.544 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.306 -0.495 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.941 -0.673 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.575 -0.352 -4.403 1.00 0.00 H new ATOM 650 N ASP A 44 6.369 2.882 -4.131 1.00 0.00 N ATOM 651 CA ASP A 44 7.677 3.521 -4.037 1.00 0.00 C ATOM 652 C ASP A 44 7.618 4.941 -3.483 1.00 0.00 C ATOM 653 O ASP A 44 8.659 5.534 -3.196 1.00 0.00 O ATOM 654 CB ASP A 44 8.380 3.539 -5.390 1.00 0.00 C ATOM 655 CG ASP A 44 7.546 4.164 -6.489 1.00 0.00 C ATOM 656 OD1 ASP A 44 7.548 5.407 -6.619 1.00 0.00 O ATOM 657 OD2 ASP A 44 6.893 3.412 -7.244 1.00 0.00 O ATOM 0 H ASP A 44 5.854 3.104 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 44 8.246 2.916 -3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.317 4.088 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.635 2.518 -5.673 1.00 0.00 H new ATOM 662 N LYS A 45 6.432 5.508 -3.353 1.00 0.00 N ATOM 663 CA LYS A 45 6.311 6.787 -2.661 1.00 0.00 C ATOM 664 C LYS A 45 5.381 6.615 -1.474 1.00 0.00 C ATOM 665 O LYS A 45 4.864 7.578 -0.904 1.00 0.00 O ATOM 666 CB LYS A 45 5.838 7.916 -3.599 1.00 0.00 C ATOM 667 CG LYS A 45 4.330 8.032 -3.785 1.00 0.00 C ATOM 668 CD LYS A 45 3.752 6.865 -4.556 1.00 0.00 C ATOM 669 CE LYS A 45 2.260 7.042 -4.787 1.00 0.00 C ATOM 670 NZ LYS A 45 1.960 8.255 -5.589 1.00 0.00 N ATOM 0 H LYS A 45 5.558 5.119 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 45 7.296 7.091 -2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.212 8.864 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.296 7.767 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.850 8.092 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.102 8.960 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.262 6.771 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.930 5.940 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.866 6.163 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.750 7.108 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.284 8.015 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.548 8.985 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.838 8.616 -6.014 1.00 0.00 H new ATOM 684 N LEU A 46 5.191 5.362 -1.106 1.00 0.00 N ATOM 685 CA LEU A 46 4.305 5.001 -0.017 1.00 0.00 C ATOM 686 C LEU A 46 5.107 4.791 1.268 1.00 0.00 C ATOM 687 O LEU A 46 6.334 4.696 1.228 1.00 0.00 O ATOM 688 CB LEU A 46 3.574 3.728 -0.409 1.00 0.00 C ATOM 689 CG LEU A 46 2.264 3.451 0.313 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.260 4.573 0.077 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.717 2.136 -0.182 1.00 0.00 C ATOM 0 H LEU A 46 5.646 4.567 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 46 3.586 5.799 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.373 3.765 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.243 2.884 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 46 2.444 3.399 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.333 4.349 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.670 5.512 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.058 4.662 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.776 1.919 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.545 2.195 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.433 1.342 0.028 1.00 0.00 H new ATOM 703 N SER A 47 4.419 4.725 2.398 1.00 0.00 N ATOM 704 CA SER A 47 5.080 4.560 3.684 1.00 0.00 C ATOM 705 C SER A 47 5.582 3.131 3.852 1.00 0.00 C ATOM 706 O SER A 47 4.894 2.160 3.523 1.00 0.00 O ATOM 707 CB SER A 47 4.129 4.930 4.826 1.00 0.00 C ATOM 708 OG SER A 47 4.745 4.760 6.094 1.00 0.00 O ATOM 0 H SER A 47 3.402 4.783 2.451 1.00 0.00 H new ATOM 0 HA SER A 47 5.938 5.231 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.808 5.966 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.234 4.311 4.770 1.00 0.00 H new ATOM 0 HG SER A 47 4.112 5.006 6.801 1.00 0.00 H new ATOM 714 N ASN A 48 6.801 3.026 4.375 1.00 0.00 N ATOM 715 CA ASN A 48 7.479 1.745 4.556 1.00 0.00 C ATOM 716 C ASN A 48 6.655 0.820 5.431 1.00 0.00 C ATOM 717 O ASN A 48 6.733 -0.398 5.303 1.00 0.00 O ATOM 718 CB ASN A 48 8.836 1.944 5.217 1.00 0.00 C ATOM 719 CG ASN A 48 9.648 3.073 4.610 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.554 3.361 3.418 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.453 3.722 5.436 1.00 0.00 N ATOM 0 H ASN A 48 7.348 3.829 4.686 1.00 0.00 H new ATOM 0 HA ASN A 48 7.608 1.302 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.688 2.144 6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.406 1.018 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.025 4.493 5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.502 3.452 6.418 1.00 0.00 H new ATOM 728 N GLU A 49 5.878 1.414 6.333 1.00 0.00 N ATOM 729 CA GLU A 49 4.991 0.676 7.195 1.00 0.00 C ATOM 730 C GLU A 49 3.980 -0.089 6.356 1.00 0.00 C ATOM 731 O GLU A 49 3.803 -1.303 6.510 1.00 0.00 O ATOM 732 CB GLU A 49 4.284 1.664 8.118 1.00 0.00 C ATOM 733 CG GLU A 49 4.730 1.591 9.567 1.00 0.00 C ATOM 734 CD GLU A 49 4.316 0.302 10.244 1.00 0.00 C ATOM 735 OE1 GLU A 49 5.021 -0.716 10.082 1.00 0.00 O ATOM 736 OE2 GLU A 49 3.290 0.302 10.954 1.00 0.00 O ATOM 0 H GLU A 49 5.854 2.423 6.478 1.00 0.00 H new ATOM 0 HA GLU A 49 5.552 -0.043 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.454 2.675 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.210 1.483 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.815 1.689 9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.310 2.435 10.115 1.00 0.00 H new ATOM 743 N ASP A 50 3.347 0.632 5.443 1.00 0.00 N ATOM 744 CA ASP A 50 2.392 0.080 4.533 1.00 0.00 C ATOM 745 C ASP A 50 3.038 -0.973 3.643 1.00 0.00 C ATOM 746 O ASP A 50 2.422 -1.994 3.334 1.00 0.00 O ATOM 747 CB ASP A 50 1.819 1.218 3.705 1.00 0.00 C ATOM 748 CG ASP A 50 1.121 2.257 4.560 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.818 3.035 5.244 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.125 2.289 4.569 1.00 0.00 O ATOM 0 H ASP A 50 3.495 1.634 5.323 1.00 0.00 H new ATOM 0 HA ASP A 50 1.593 -0.416 5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.621 1.694 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.114 0.816 2.978 1.00 0.00 H new ATOM 755 N LEU A 51 4.295 -0.746 3.247 1.00 0.00 N ATOM 756 CA LEU A 51 5.000 -1.726 2.438 1.00 0.00 C ATOM 757 C LEU A 51 5.297 -2.976 3.252 1.00 0.00 C ATOM 758 O LEU A 51 5.131 -4.085 2.762 1.00 0.00 O ATOM 759 CB LEU A 51 6.304 -1.164 1.852 1.00 0.00 C ATOM 760 CG LEU A 51 6.154 -0.212 0.657 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.777 -0.337 0.026 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.434 1.221 1.069 1.00 0.00 C ATOM 0 H LEU A 51 4.830 0.093 3.472 1.00 0.00 H new ATOM 0 HA LEU A 51 4.345 -1.982 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.837 -0.638 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.931 -2.001 1.547 1.00 0.00 H new ATOM 0 HG LEU A 51 6.891 -0.498 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.700 0.349 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.628 -1.359 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.014 -0.091 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.321 1.876 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.730 1.520 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.452 1.297 1.452 1.00 0.00 H new ATOM 774 N ALA A 52 5.699 -2.793 4.506 1.00 0.00 N ATOM 775 CA ALA A 52 6.023 -3.917 5.374 1.00 0.00 C ATOM 776 C ALA A 52 4.776 -4.743 5.624 1.00 0.00 C ATOM 777 O ALA A 52 4.838 -5.956 5.841 1.00 0.00 O ATOM 778 CB ALA A 52 6.614 -3.428 6.689 1.00 0.00 C ATOM 0 H ALA A 52 5.808 -1.877 4.942 1.00 0.00 H new ATOM 0 HA ALA A 52 6.770 -4.540 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.849 -4.283 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.524 -2.862 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.892 -2.788 7.196 1.00 0.00 H new ATOM 784 N TYR A 53 3.644 -4.065 5.572 1.00 0.00 N ATOM 785 CA TYR A 53 2.355 -4.702 5.730 1.00 0.00 C ATOM 786 C TYR A 53 1.976 -5.523 4.486 1.00 0.00 C ATOM 787 O TYR A 53 1.557 -6.681 4.587 1.00 0.00 O ATOM 788 CB TYR A 53 1.303 -3.632 6.016 1.00 0.00 C ATOM 789 CG TYR A 53 -0.099 -4.100 5.742 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.675 -5.117 6.489 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.824 -3.557 4.695 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.941 -5.573 6.203 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.084 -4.012 4.396 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.640 -5.021 5.154 1.00 0.00 C ATOM 795 OH TYR A 53 -3.889 -5.500 4.845 1.00 0.00 O ATOM 0 H TYR A 53 3.595 -3.058 5.419 1.00 0.00 H new ATOM 0 HA TYR A 53 2.405 -5.398 6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.380 -3.324 7.059 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.512 -2.752 5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.122 -5.557 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.391 -2.763 4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.383 -6.359 6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.636 -3.583 3.573 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.250 -5.004 4.080 1.00 0.00 H new ATOM 805 N VAL A 54 2.116 -4.932 3.308 1.00 0.00 N ATOM 806 CA VAL A 54 1.769 -5.636 2.081 1.00 0.00 C ATOM 807 C VAL A 54 2.745 -6.787 1.815 1.00 0.00 C ATOM 808 O VAL A 54 2.387 -7.785 1.177 1.00 0.00 O ATOM 809 CB VAL A 54 1.639 -4.679 0.872 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.839 -3.783 0.722 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.363 -5.441 -0.416 1.00 0.00 C ATOM 0 H VAL A 54 2.462 -3.982 3.176 1.00 0.00 H new ATOM 0 HA VAL A 54 0.781 -6.074 2.222 1.00 0.00 H new ATOM 0 HB VAL A 54 0.781 -4.037 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.700 -3.130 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.956 -3.177 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.732 -4.392 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.278 -4.737 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.182 -6.134 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.432 -5.999 -0.316 1.00 0.00 H new ATOM 821 N GLU A 55 3.972 -6.653 2.326 1.00 0.00 N ATOM 822 CA GLU A 55 4.907 -7.783 2.375 1.00 0.00 C ATOM 823 C GLU A 55 4.240 -8.986 3.036 1.00 0.00 C ATOM 824 O GLU A 55 4.481 -10.133 2.660 1.00 0.00 O ATOM 825 CB GLU A 55 6.183 -7.436 3.157 1.00 0.00 C ATOM 826 CG GLU A 55 6.970 -6.275 2.579 1.00 0.00 C ATOM 827 CD GLU A 55 8.336 -6.110 3.219 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.417 -5.528 4.321 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.335 -6.556 2.620 1.00 0.00 O ATOM 0 H GLU A 55 4.340 -5.782 2.709 1.00 0.00 H new ATOM 0 HA GLU A 55 5.183 -8.018 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.912 -7.200 4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.826 -8.316 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.093 -6.424 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.400 -5.355 2.710 1.00 0.00 H new ATOM 836 N LYS A 56 3.396 -8.708 4.021 1.00 0.00 N ATOM 837 CA LYS A 56 2.624 -9.739 4.693 1.00 0.00 C ATOM 838 C LYS A 56 1.507 -10.237 3.782 1.00 0.00 C ATOM 839 O LYS A 56 1.356 -11.443 3.586 1.00 0.00 O ATOM 840 CB LYS A 56 2.061 -9.196 6.024 1.00 0.00 C ATOM 841 CG LYS A 56 0.692 -9.744 6.407 1.00 0.00 C ATOM 842 CD LYS A 56 0.725 -11.239 6.665 1.00 0.00 C ATOM 843 CE LYS A 56 -0.529 -11.908 6.129 1.00 0.00 C ATOM 844 NZ LYS A 56 -0.512 -13.378 6.338 1.00 0.00 N ATOM 0 H LYS A 56 3.229 -7.766 4.374 1.00 0.00 H new ATOM 0 HA LYS A 56 3.274 -10.584 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.766 -9.427 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.997 -8.110 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.334 -9.231 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.019 -9.530 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.605 -11.675 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.813 -11.426 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.404 -11.483 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.626 -11.695 5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.386 -13.793 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.308 -13.789 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.446 -13.583 7.355 1.00 0.00 H new ATOM 858 N ILE A 57 0.736 -9.302 3.223 1.00 0.00 N ATOM 859 CA ILE A 57 -0.414 -9.652 2.372 1.00 0.00 C ATOM 860 C ILE A 57 -0.035 -10.662 1.295 1.00 0.00 C ATOM 861 O ILE A 57 -0.739 -11.647 1.070 1.00 0.00 O ATOM 862 CB ILE A 57 -0.999 -8.422 1.647 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.325 -7.306 2.631 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.247 -8.809 0.854 1.00 0.00 C ATOM 865 CD1 ILE A 57 -1.860 -6.064 1.954 1.00 0.00 C ATOM 0 H ILE A 57 0.882 -8.299 3.341 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.153 -10.075 3.052 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.243 -8.053 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.059 -7.666 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.427 -7.050 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.645 -7.929 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.987 -9.565 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.000 -9.210 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.074 -5.304 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.117 -5.683 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.775 -6.309 1.415 1.00 0.00 H new ATOM 877 N THR A 58 1.077 -10.405 0.636 1.00 0.00 N ATOM 878 CA THR A 58 1.443 -11.165 -0.548 1.00 0.00 C ATOM 879 C THR A 58 2.560 -12.163 -0.288 1.00 0.00 C ATOM 880 O THR A 58 2.475 -13.331 -0.681 1.00 0.00 O ATOM 881 CB THR A 58 1.893 -10.223 -1.673 1.00 0.00 C ATOM 882 OG1 THR A 58 2.908 -9.335 -1.184 1.00 0.00 O ATOM 883 CG2 THR A 58 0.730 -9.412 -2.205 1.00 0.00 C ATOM 0 H THR A 58 1.743 -9.678 0.897 1.00 0.00 H new ATOM 0 HA THR A 58 0.550 -11.718 -0.839 1.00 0.00 H new ATOM 0 HB THR A 58 2.291 -10.831 -2.486 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.537 -8.776 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.079 -8.754 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.033 -10.084 -2.598 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.305 -8.813 -1.399 1.00 0.00 H new ATOM 891 N GLY A 59 3.599 -11.700 0.382 1.00 0.00 N ATOM 892 CA GLY A 59 4.800 -12.485 0.516 1.00 0.00 C ATOM 893 C GLY A 59 5.941 -11.858 -0.253 1.00 0.00 C ATOM 894 O GLY A 59 7.084 -12.315 -0.172 1.00 0.00 O ATOM 0 H GLY A 59 3.631 -10.788 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.069 -12.570 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.621 -13.496 0.150 1.00 0.00 H new ATOM 898 N PHE A 60 5.628 -10.810 -1.011 1.00 0.00 N ATOM 899 CA PHE A 60 6.640 -10.070 -1.741 1.00 0.00 C ATOM 900 C PHE A 60 7.285 -9.059 -0.815 1.00 0.00 C ATOM 901 O PHE A 60 6.613 -8.456 0.017 1.00 0.00 O ATOM 902 CB PHE A 60 6.039 -9.347 -2.953 1.00 0.00 C ATOM 903 CG PHE A 60 5.489 -10.263 -4.011 1.00 0.00 C ATOM 904 CD1 PHE A 60 6.340 -10.929 -4.878 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.122 -10.451 -4.144 1.00 0.00 C ATOM 906 CE1 PHE A 60 5.838 -11.769 -5.853 1.00 0.00 C ATOM 907 CE2 PHE A 60 3.616 -11.290 -5.116 1.00 0.00 C ATOM 908 CZ PHE A 60 4.474 -11.950 -5.971 1.00 0.00 C ATOM 0 H PHE A 60 4.678 -10.458 -1.132 1.00 0.00 H new ATOM 0 HA PHE A 60 7.386 -10.776 -2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.242 -8.688 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.805 -8.714 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.407 -10.790 -4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.445 -9.935 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.512 -12.284 -6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.549 -11.430 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.080 -12.607 -6.732 1.00 0.00 H new ATOM 918 N SER A 61 8.581 -8.884 -0.946 1.00 0.00 N ATOM 919 CA SER A 61 9.289 -7.940 -0.113 1.00 0.00 C ATOM 920 C SER A 61 9.316 -6.571 -0.782 1.00 0.00 C ATOM 921 O SER A 61 10.006 -6.366 -1.783 1.00 0.00 O ATOM 922 CB SER A 61 10.710 -8.435 0.165 1.00 0.00 C ATOM 923 OG SER A 61 11.335 -7.654 1.171 1.00 0.00 O ATOM 0 H SER A 61 9.164 -9.381 -1.619 1.00 0.00 H new ATOM 0 HA SER A 61 8.768 -7.850 0.840 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.680 -9.479 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.299 -8.393 -0.751 1.00 0.00 H new ATOM 0 HG SER A 61 10.650 -7.216 1.718 1.00 0.00 H new ATOM 929 N LEU A 62 8.557 -5.629 -0.230 1.00 0.00 N ATOM 930 CA LEU A 62 8.495 -4.288 -0.787 1.00 0.00 C ATOM 931 C LEU A 62 9.613 -3.421 -0.213 1.00 0.00 C ATOM 932 O LEU A 62 9.550 -2.196 -0.272 1.00 0.00 O ATOM 933 CB LEU A 62 7.122 -3.623 -0.547 1.00 0.00 C ATOM 934 CG LEU A 62 5.916 -4.308 -1.218 1.00 0.00 C ATOM 935 CD1 LEU A 62 6.225 -4.681 -2.659 1.00 0.00 C ATOM 936 CD2 LEU A 62 5.472 -5.537 -0.444 1.00 0.00 C ATOM 0 H LEU A 62 7.980 -5.772 0.599 1.00 0.00 H new ATOM 0 HA LEU A 62 8.630 -4.377 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.942 -3.584 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.172 -2.593 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 62 5.097 -3.588 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.355 -5.162 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.471 -3.781 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.071 -5.367 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.620 -5.995 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.292 -6.253 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.185 -5.246 0.567 1.00 0.00 H new ATOM 948 N GLU A 63 10.641 -4.075 0.330 1.00 0.00 N ATOM 949 CA GLU A 63 11.825 -3.418 0.832 1.00 0.00 C ATOM 950 C GLU A 63 12.435 -2.518 -0.233 1.00 0.00 C ATOM 951 O GLU A 63 12.800 -1.371 0.027 1.00 0.00 O ATOM 952 CB GLU A 63 12.818 -4.500 1.223 1.00 0.00 C ATOM 953 CG GLU A 63 12.606 -5.077 2.611 1.00 0.00 C ATOM 954 CD GLU A 63 13.153 -4.187 3.703 1.00 0.00 C ATOM 955 OE1 GLU A 63 14.386 -4.160 3.888 1.00 0.00 O ATOM 956 OE2 GLU A 63 12.356 -3.528 4.395 1.00 0.00 O ATOM 0 H GLU A 63 10.664 -5.090 0.430 1.00 0.00 H new ATOM 0 HA GLU A 63 11.571 -2.794 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.760 -5.309 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.826 -4.089 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.540 -5.234 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.085 -6.054 2.671 1.00 0.00 H new ATOM 963 N LYS A 64 12.495 -3.048 -1.444 1.00 0.00 N ATOM 964 CA LYS A 64 13.085 -2.356 -2.581 1.00 0.00 C ATOM 965 C LYS A 64 12.261 -1.135 -2.993 1.00 0.00 C ATOM 966 O LYS A 64 12.716 -0.299 -3.774 1.00 0.00 O ATOM 967 CB LYS A 64 13.206 -3.335 -3.748 1.00 0.00 C ATOM 968 CG LYS A 64 11.896 -4.031 -4.078 1.00 0.00 C ATOM 969 CD LYS A 64 12.059 -5.079 -5.172 1.00 0.00 C ATOM 970 CE LYS A 64 12.922 -6.245 -4.708 1.00 0.00 C ATOM 971 NZ LYS A 64 12.941 -7.355 -5.700 1.00 0.00 N ATOM 0 H LYS A 64 12.134 -3.975 -1.668 1.00 0.00 H new ATOM 0 HA LYS A 64 14.072 -1.993 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.558 -2.799 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.959 -4.085 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.502 -4.505 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.162 -3.289 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.078 -5.448 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.509 -4.620 -6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.940 -5.896 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.546 -6.617 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.540 -8.128 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.973 -7.706 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.324 -7.008 -6.602 1.00 0.00 H new ATOM 985 N PHE A 65 11.049 -1.032 -2.466 1.00 0.00 N ATOM 986 CA PHE A 65 10.174 0.083 -2.791 1.00 0.00 C ATOM 987 C PHE A 65 10.031 1.022 -1.601 1.00 0.00 C ATOM 988 O PHE A 65 9.356 2.044 -1.686 1.00 0.00 O ATOM 989 CB PHE A 65 8.797 -0.420 -3.228 1.00 0.00 C ATOM 990 CG PHE A 65 8.836 -1.290 -4.453 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.160 -0.753 -5.689 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.553 -2.645 -4.370 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.205 -1.551 -6.816 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.597 -3.448 -5.496 1.00 0.00 C ATOM 995 CZ PHE A 65 8.920 -2.899 -6.721 1.00 0.00 C ATOM 0 H PHE A 65 10.651 -1.706 -1.813 1.00 0.00 H new ATOM 0 HA PHE A 65 10.625 0.633 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.347 -0.980 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.151 0.436 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.380 0.301 -5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.295 -3.079 -3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.463 -1.120 -7.772 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.379 -4.503 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.950 -3.522 -7.603 1.00 0.00 H new ATOM 1005 N LYS A 66 10.680 0.683 -0.494 1.00 0.00 N ATOM 1006 CA LYS A 66 10.600 1.508 0.705 1.00 0.00 C ATOM 1007 C LYS A 66 11.484 2.741 0.552 1.00 0.00 C ATOM 1008 O LYS A 66 12.578 2.666 -0.012 1.00 0.00 O ATOM 1009 CB LYS A 66 10.971 0.696 1.946 1.00 0.00 C ATOM 1010 CG LYS A 66 9.959 -0.398 2.244 1.00 0.00 C ATOM 1011 CD LYS A 66 10.348 -1.234 3.448 1.00 0.00 C ATOM 1012 CE LYS A 66 9.387 -2.399 3.640 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.776 -3.254 4.787 1.00 0.00 N ATOM 0 H LYS A 66 11.262 -0.149 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 66 9.572 1.846 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.955 0.249 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.045 1.363 2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.982 0.053 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.861 -1.045 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.362 -1.612 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.351 -0.610 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.379 -2.016 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.360 -3.001 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.097 -4.035 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.728 -3.641 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.777 -2.686 5.658 1.00 0.00 H new ATOM 1027 N ALA A 67 11.004 3.866 1.061 1.00 0.00 N ATOM 1028 CA ALA A 67 11.582 5.169 0.750 1.00 0.00 C ATOM 1029 C ALA A 67 12.770 5.522 1.638 1.00 0.00 C ATOM 1030 O ALA A 67 12.789 6.588 2.254 1.00 0.00 O ATOM 1031 CB ALA A 67 10.511 6.241 0.858 1.00 0.00 C ATOM 0 H ALA A 67 10.208 3.904 1.698 1.00 0.00 H new ATOM 0 HA ALA A 67 11.961 5.117 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.945 7.213 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.707 6.024 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.111 6.255 1.872 1.00 0.00 H new ATOM 1037 N ASN A 68 13.756 4.629 1.677 1.00 0.00 N ATOM 1038 CA ASN A 68 15.021 4.870 2.377 1.00 0.00 C ATOM 1039 C ASN A 68 14.803 5.107 3.869 1.00 0.00 C ATOM 1040 O ASN A 68 14.858 4.125 4.634 1.00 0.00 O ATOM 1041 CB ASN A 68 15.763 6.058 1.753 1.00 0.00 C ATOM 1042 CG ASN A 68 17.142 6.266 2.350 1.00 0.00 C ATOM 1043 OD1 ASN A 68 18.130 5.713 1.865 1.00 0.00 O ATOM 1044 ND2 ASN A 68 17.222 7.057 3.409 1.00 0.00 N ATOM 1045 OXT ASN A 68 14.576 6.271 4.275 1.00 0.00 O ATOM 0 H ASN A 68 13.703 3.716 1.225 1.00 0.00 H new ATOM 0 HA ASN A 68 15.632 3.974 2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 68 15.857 5.899 0.679 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.172 6.963 1.891 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.125 7.226 3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.381 7.497 3.782 1.00 0.00 H new TER 1052 ASN A 68