USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 21 ASN : amide:sc= -0.614! C(o=-0.88!,f=-6.7!) USER MOD Set 1.2: A 67 THR OG1 : rot -160:sc= -0.268 USER MOD Set 2.1: A 28 CYS SG : rot 180:sc= -0.752 USER MOD Set 2.2: A 31 HIS : no HE2:sc= 1.14 K(o=0.39,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.531 (180deg=-0.676) USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0136) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 23 ASN : amide:sc= 0.584 K(o=0.58,f=-0.45) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0254) USER MOD Single : A 41 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-0.78) USER MOD Single : A 43 HIS : no HD1:sc= -0.523 X(o=-0.52,f=-0.93) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0602 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -120:sc= 0.874 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 109:sc= 1.39 USER MOD Single : A 59 THR OG1 : rot 103:sc= 1 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 1.79 (180deg=1.75) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -1.66! C(o=-3!,f=-1.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc=-0.00528 X(o=-0.0053,f=-0.25) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc=-0.00698 X(o=-0.007,f=-0.0047) USER MOD Single : A 84 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 86.387 -20.533 -11.686 1.00 0.00 N ATOM 2 CA MET A 1 86.326 -19.061 -11.536 1.00 0.00 C ATOM 3 C MET A 1 84.972 -18.632 -10.981 1.00 0.00 C ATOM 4 O MET A 1 84.896 -17.721 -10.157 1.00 0.00 O ATOM 5 CB MET A 1 86.637 -18.363 -12.874 1.00 0.00 C ATOM 6 CG MET A 1 85.835 -18.864 -14.068 1.00 0.00 C ATOM 7 SD MET A 1 84.197 -18.120 -14.192 1.00 0.00 S ATOM 8 CE MET A 1 83.530 -18.997 -15.606 1.00 0.00 C ATOM 0 H1 MET A 1 87.283 -20.799 -12.143 1.00 0.00 H new ATOM 0 H2 MET A 1 86.331 -20.980 -10.749 1.00 0.00 H new ATOM 0 H3 MET A 1 85.590 -20.856 -12.272 1.00 0.00 H new ATOM 0 HA MET A 1 87.088 -18.754 -10.820 1.00 0.00 H new ATOM 0 HB2 MET A 1 86.457 -17.294 -12.758 1.00 0.00 H new ATOM 0 HB3 MET A 1 87.698 -18.486 -13.092 1.00 0.00 H new ATOM 0 HG2 MET A 1 86.391 -18.656 -14.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 85.730 -19.947 -13.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 82.518 -18.646 -15.808 1.00 0.00 H new ATOM 0 HE2 MET A 1 84.158 -18.813 -16.478 1.00 0.00 H new ATOM 0 HE3 MET A 1 83.507 -20.066 -15.394 1.00 0.00 H new ATOM 20 N ALA A 2 83.908 -19.307 -11.410 1.00 0.00 N ATOM 21 CA ALA A 2 82.566 -19.036 -10.913 1.00 0.00 C ATOM 22 C ALA A 2 81.615 -20.132 -11.365 1.00 0.00 C ATOM 23 O ALA A 2 81.724 -20.626 -12.489 1.00 0.00 O ATOM 24 CB ALA A 2 82.070 -17.678 -11.398 1.00 0.00 C ATOM 0 H ALA A 2 83.953 -20.051 -12.106 1.00 0.00 H new ATOM 0 HA ALA A 2 82.600 -19.017 -9.824 1.00 0.00 H new ATOM 0 HB1 ALA A 2 81.066 -17.499 -11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 2 82.740 -16.897 -11.040 1.00 0.00 H new ATOM 0 HB3 ALA A 2 82.049 -17.666 -12.488 1.00 0.00 H new ATOM 30 N GLY A 3 80.701 -20.522 -10.492 1.00 0.00 N ATOM 31 CA GLY A 3 79.742 -21.551 -10.834 1.00 0.00 C ATOM 32 C GLY A 3 78.387 -20.964 -11.141 1.00 0.00 C ATOM 33 O GLY A 3 77.835 -21.177 -12.222 1.00 0.00 O ATOM 0 H GLY A 3 80.605 -20.143 -9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 3 80.101 -22.112 -11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 3 79.655 -22.258 -10.009 1.00 0.00 H new ATOM 37 N ASP A 4 77.863 -20.200 -10.195 1.00 0.00 N ATOM 38 CA ASP A 4 76.570 -19.552 -10.356 1.00 0.00 C ATOM 39 C ASP A 4 76.539 -18.235 -9.591 1.00 0.00 C ATOM 40 O ASP A 4 76.708 -18.212 -8.371 1.00 0.00 O ATOM 41 CB ASP A 4 75.442 -20.462 -9.866 1.00 0.00 C ATOM 42 CG ASP A 4 74.086 -19.791 -9.945 1.00 0.00 C ATOM 43 OD1 ASP A 4 73.591 -19.571 -11.068 1.00 0.00 O ATOM 44 OD2 ASP A 4 73.505 -19.493 -8.881 1.00 0.00 O ATOM 0 H ASP A 4 78.317 -20.012 -9.301 1.00 0.00 H new ATOM 0 HA ASP A 4 76.421 -19.352 -11.417 1.00 0.00 H new ATOM 0 HB2 ASP A 4 75.429 -21.374 -10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 4 75.639 -20.758 -8.836 1.00 0.00 H new ATOM 49 N PRO A 5 76.334 -17.120 -10.304 1.00 0.00 N ATOM 50 CA PRO A 5 76.271 -15.791 -9.705 1.00 0.00 C ATOM 51 C PRO A 5 74.859 -15.421 -9.251 1.00 0.00 C ATOM 52 O PRO A 5 74.564 -14.242 -9.037 1.00 0.00 O ATOM 53 CB PRO A 5 76.716 -14.898 -10.862 1.00 0.00 C ATOM 54 CG PRO A 5 76.220 -15.588 -12.089 1.00 0.00 C ATOM 55 CD PRO A 5 76.160 -17.064 -11.767 1.00 0.00 C ATOM 0 HA PRO A 5 76.880 -15.704 -8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 5 76.294 -13.897 -10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 5 77.800 -14.787 -10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 5 75.236 -15.214 -12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 5 76.886 -15.403 -12.932 1.00 0.00 H new ATOM 0 HD2 PRO A 5 75.209 -17.500 -12.072 1.00 0.00 H new ATOM 0 HD3 PRO A 5 76.945 -17.617 -12.283 1.00 0.00 H new ATOM 63 N LEU A 6 74.011 -16.441 -9.096 1.00 0.00 N ATOM 64 CA LEU A 6 72.607 -16.271 -8.707 1.00 0.00 C ATOM 65 C LEU A 6 71.786 -15.634 -9.828 1.00 0.00 C ATOM 66 O LEU A 6 71.856 -14.428 -10.063 1.00 0.00 O ATOM 67 CB LEU A 6 72.470 -15.449 -7.418 1.00 0.00 C ATOM 68 CG LEU A 6 73.029 -16.108 -6.156 1.00 0.00 C ATOM 69 CD1 LEU A 6 72.867 -15.185 -4.956 1.00 0.00 C ATOM 70 CD2 LEU A 6 72.335 -17.436 -5.898 1.00 0.00 C ATOM 0 H LEU A 6 74.280 -17.415 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 6 72.212 -17.269 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 6 72.974 -14.493 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 6 71.414 -15.232 -7.256 1.00 0.00 H new ATOM 0 HG LEU A 6 74.092 -16.295 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 6 73.270 -15.670 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 6 73.405 -14.255 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 6 71.810 -14.969 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 6 72.745 -17.892 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 6 71.266 -17.268 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 6 72.496 -18.102 -6.746 1.00 0.00 H new ATOM 82 N PRO A 7 71.002 -16.454 -10.548 1.00 0.00 N ATOM 83 CA PRO A 7 70.118 -15.979 -11.612 1.00 0.00 C ATOM 84 C PRO A 7 68.871 -15.309 -11.045 1.00 0.00 C ATOM 85 O PRO A 7 68.185 -14.557 -11.735 1.00 0.00 O ATOM 86 CB PRO A 7 69.739 -17.258 -12.381 1.00 0.00 C ATOM 87 CG PRO A 7 70.553 -18.360 -11.780 1.00 0.00 C ATOM 88 CD PRO A 7 70.924 -17.907 -10.396 1.00 0.00 C ATOM 0 HA PRO A 7 70.599 -15.229 -12.240 1.00 0.00 H new ATOM 0 HB2 PRO A 7 68.673 -17.466 -12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 7 69.953 -17.151 -13.444 1.00 0.00 H new ATOM 0 HG2 PRO A 7 69.984 -19.289 -11.745 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.444 -18.555 -12.377 1.00 0.00 H new ATOM 0 HD2 PRO A 7 70.175 -18.198 -9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 7 71.873 -18.332 -10.071 1.00 0.00 H new ATOM 96 N LYS A 8 68.585 -15.595 -9.783 1.00 0.00 N ATOM 97 CA LYS A 8 67.449 -14.997 -9.104 1.00 0.00 C ATOM 98 C LYS A 8 67.760 -13.548 -8.759 1.00 0.00 C ATOM 99 O LYS A 8 68.671 -13.269 -7.977 1.00 0.00 O ATOM 100 CB LYS A 8 67.106 -15.788 -7.838 1.00 0.00 C ATOM 101 CG LYS A 8 65.963 -15.190 -7.029 1.00 0.00 C ATOM 102 CD LYS A 8 64.657 -15.179 -7.812 1.00 0.00 C ATOM 103 CE LYS A 8 63.550 -14.458 -7.051 1.00 0.00 C ATOM 104 NZ LYS A 8 63.167 -15.165 -5.798 1.00 0.00 N ATOM 0 H LYS A 8 69.127 -16.240 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 8 66.585 -15.024 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 8 66.845 -16.808 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 8 67.993 -15.848 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 8 65.831 -15.762 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 8 66.219 -14.172 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 8 64.814 -14.692 -8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 8 64.348 -16.204 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 8 63.879 -13.447 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 8 62.674 -14.363 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 62.366 -14.673 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 62.892 -16.143 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 63.975 -15.174 -5.143 1.00 0.00 H new ATOM 118 N TYR A 9 67.014 -12.633 -9.357 1.00 0.00 N ATOM 119 CA TYR A 9 67.211 -11.215 -9.114 1.00 0.00 C ATOM 120 C TYR A 9 66.767 -10.851 -7.707 1.00 0.00 C ATOM 121 O TYR A 9 65.739 -11.333 -7.223 1.00 0.00 O ATOM 122 CB TYR A 9 66.450 -10.380 -10.147 1.00 0.00 C ATOM 123 CG TYR A 9 66.995 -10.513 -11.553 1.00 0.00 C ATOM 124 CD1 TYR A 9 68.099 -9.775 -11.958 1.00 0.00 C ATOM 125 CD2 TYR A 9 66.408 -11.374 -12.473 1.00 0.00 C ATOM 126 CE1 TYR A 9 68.604 -9.890 -13.240 1.00 0.00 C ATOM 127 CE2 TYR A 9 66.908 -11.496 -13.756 1.00 0.00 C ATOM 128 CZ TYR A 9 68.006 -10.752 -14.135 1.00 0.00 C ATOM 129 OH TYR A 9 68.508 -10.869 -15.412 1.00 0.00 O ATOM 0 H TYR A 9 66.265 -12.849 -10.015 1.00 0.00 H new ATOM 0 HA TYR A 9 68.274 -10.995 -9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 9 65.402 -10.679 -10.143 1.00 0.00 H new ATOM 0 HB3 TYR A 9 66.484 -9.332 -9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 9 68.571 -9.100 -11.260 1.00 0.00 H new ATOM 0 HD2 TYR A 9 65.547 -11.957 -12.181 1.00 0.00 H new ATOM 0 HE1 TYR A 9 69.463 -9.307 -13.539 1.00 0.00 H new ATOM 0 HE2 TYR A 9 66.441 -12.171 -14.458 1.00 0.00 H new ATOM 0 HH TYR A 9 67.973 -11.518 -15.915 1.00 0.00 H new ATOM 139 N TRP A 10 67.561 -10.013 -7.056 1.00 0.00 N ATOM 140 CA TRP A 10 67.296 -9.583 -5.691 1.00 0.00 C ATOM 141 C TRP A 10 65.965 -8.843 -5.596 1.00 0.00 C ATOM 142 O TRP A 10 65.455 -8.324 -6.590 1.00 0.00 O ATOM 143 CB TRP A 10 68.436 -8.695 -5.188 1.00 0.00 C ATOM 144 CG TRP A 10 69.695 -9.448 -4.852 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.215 -9.650 -3.605 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.590 -10.101 -5.768 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.378 -10.377 -3.688 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.627 -10.670 -5.004 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.613 -10.264 -7.156 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.676 -11.384 -5.582 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.655 -10.969 -7.728 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.673 -11.523 -6.942 1.00 0.00 C ATOM 0 H TRP A 10 68.408 -9.612 -7.460 1.00 0.00 H new ATOM 0 HA TRP A 10 67.233 -10.470 -5.061 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.664 -7.948 -5.948 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.100 -8.156 -4.302 1.00 0.00 H new ATOM 0 HD1 TRP A 10 69.775 -9.290 -2.686 1.00 0.00 H new ATOM 0 HE1 TRP A 10 71.962 -10.654 -2.899 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.830 -9.846 -7.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.462 -11.812 -4.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 71.685 -11.095 -8.800 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.472 -12.071 -7.420 1.00 0.00 H new ATOM 163 N SER A 11 65.418 -8.793 -4.392 1.00 0.00 N ATOM 164 CA SER A 11 64.095 -8.232 -4.171 1.00 0.00 C ATOM 165 C SER A 11 64.121 -6.707 -4.240 1.00 0.00 C ATOM 166 O SER A 11 63.114 -6.073 -4.560 1.00 0.00 O ATOM 167 CB SER A 11 63.561 -8.689 -2.812 1.00 0.00 C ATOM 168 OG SER A 11 62.193 -8.353 -2.648 1.00 0.00 O ATOM 0 H SER A 11 65.874 -9.137 -3.547 1.00 0.00 H new ATOM 0 HA SER A 11 63.435 -8.591 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 11 63.685 -9.768 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 11 64.147 -8.228 -2.017 1.00 0.00 H new ATOM 0 HG SER A 11 61.884 -8.660 -1.770 1.00 0.00 H new ATOM 174 N TYR A 12 65.269 -6.121 -3.932 1.00 0.00 N ATOM 175 CA TYR A 12 65.409 -4.671 -3.954 1.00 0.00 C ATOM 176 C TYR A 12 66.432 -4.259 -5.006 1.00 0.00 C ATOM 177 O TYR A 12 67.536 -4.801 -5.052 1.00 0.00 O ATOM 178 CB TYR A 12 65.798 -4.152 -2.566 1.00 0.00 C ATOM 179 CG TYR A 12 64.783 -4.499 -1.499 1.00 0.00 C ATOM 180 CD1 TYR A 12 63.524 -3.916 -1.501 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.078 -5.420 -0.497 1.00 0.00 C ATOM 182 CE1 TYR A 12 62.588 -4.235 -0.538 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.146 -5.748 0.469 1.00 0.00 C ATOM 184 CZ TYR A 12 62.901 -5.149 0.443 1.00 0.00 C ATOM 185 OH TYR A 12 61.958 -5.471 1.392 1.00 0.00 O ATOM 0 H TYR A 12 66.115 -6.625 -3.665 1.00 0.00 H new ATOM 0 HA TYR A 12 64.451 -4.225 -4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 12 66.766 -4.567 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 12 65.916 -3.069 -2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 12 63.272 -3.200 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 12 66.052 -5.886 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 12 61.614 -3.769 -0.554 1.00 0.00 H new ATOM 0 HE2 TYR A 12 64.389 -6.467 1.238 1.00 0.00 H new ATOM 0 HH TYR A 12 62.331 -6.131 2.013 1.00 0.00 H new ATOM 195 N PRO A 13 66.063 -3.304 -5.874 1.00 0.00 N ATOM 196 CA PRO A 13 66.888 -2.896 -7.017 1.00 0.00 C ATOM 197 C PRO A 13 68.074 -2.005 -6.641 1.00 0.00 C ATOM 198 O PRO A 13 68.219 -1.582 -5.492 1.00 0.00 O ATOM 199 CB PRO A 13 65.901 -2.119 -7.888 1.00 0.00 C ATOM 200 CG PRO A 13 64.927 -1.542 -6.925 1.00 0.00 C ATOM 201 CD PRO A 13 64.795 -2.547 -5.815 1.00 0.00 C ATOM 0 HA PRO A 13 67.348 -3.759 -7.500 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.405 -1.339 -8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 13 65.408 -2.772 -8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 13 65.278 -0.583 -6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 13 63.965 -1.362 -7.404 1.00 0.00 H new ATOM 0 HD2 PRO A 13 64.664 -2.061 -4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 13 63.933 -3.197 -5.964 1.00 0.00 H new ATOM 209 N VAL A 14 68.919 -1.724 -7.629 1.00 0.00 N ATOM 210 CA VAL A 14 70.071 -0.851 -7.439 1.00 0.00 C ATOM 211 C VAL A 14 69.666 0.600 -7.678 1.00 0.00 C ATOM 212 O VAL A 14 68.907 0.893 -8.603 1.00 0.00 O ATOM 213 CB VAL A 14 71.229 -1.223 -8.398 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.449 -0.343 -8.156 1.00 0.00 C ATOM 215 CG2 VAL A 14 71.594 -2.692 -8.255 1.00 0.00 C ATOM 0 H VAL A 14 68.825 -2.092 -8.576 1.00 0.00 H new ATOM 0 HA VAL A 14 70.419 -0.978 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 14 70.886 -1.049 -9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.245 -0.628 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.183 0.701 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 14 72.793 -0.472 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.409 -2.932 -8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 14 71.908 -2.891 -7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 14 70.727 -3.307 -8.495 1.00 0.00 H new ATOM 225 N GLY A 15 70.163 1.499 -6.839 1.00 0.00 N ATOM 226 CA GLY A 15 69.823 2.902 -6.968 1.00 0.00 C ATOM 227 C GLY A 15 68.669 3.289 -6.071 1.00 0.00 C ATOM 228 O GLY A 15 68.314 4.463 -5.972 1.00 0.00 O ATOM 0 H GLY A 15 70.797 1.281 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.693 3.510 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.565 3.119 -8.005 1.00 0.00 H new ATOM 232 N LEU A 16 68.089 2.295 -5.413 1.00 0.00 N ATOM 233 CA LEU A 16 66.968 2.517 -4.514 1.00 0.00 C ATOM 234 C LEU A 16 67.444 3.152 -3.212 1.00 0.00 C ATOM 235 O LEU A 16 68.409 2.685 -2.600 1.00 0.00 O ATOM 236 CB LEU A 16 66.257 1.189 -4.224 1.00 0.00 C ATOM 237 CG LEU A 16 65.053 1.281 -3.283 1.00 0.00 C ATOM 238 CD1 LEU A 16 63.950 2.131 -3.898 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.535 -0.112 -2.951 1.00 0.00 C ATOM 0 H LEU A 16 68.380 1.320 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 16 66.266 3.199 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 16 65.926 0.760 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 16 66.980 0.495 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 16 65.374 1.762 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.105 2.182 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.327 3.136 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.627 1.684 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.679 -0.032 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.232 -0.616 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.323 -0.687 -2.465 1.00 0.00 H new ATOM 251 N ALA A 17 66.775 4.221 -2.805 1.00 0.00 N ATOM 252 CA ALA A 17 67.080 4.878 -1.549 1.00 0.00 C ATOM 253 C ALA A 17 66.379 4.165 -0.404 1.00 0.00 C ATOM 254 O ALA A 17 65.149 4.060 -0.376 1.00 0.00 O ATOM 255 CB ALA A 17 66.673 6.343 -1.597 1.00 0.00 C ATOM 0 H ALA A 17 66.014 4.651 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 17 68.156 4.831 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 17 66.910 6.818 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.215 6.845 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 17 65.601 6.417 -1.782 1.00 0.00 H new ATOM 261 N VAL A 18 67.164 3.666 0.532 1.00 0.00 N ATOM 262 CA VAL A 18 66.632 2.929 1.665 1.00 0.00 C ATOM 263 C VAL A 18 67.140 3.534 2.964 1.00 0.00 C ATOM 264 O VAL A 18 68.257 4.044 3.021 1.00 0.00 O ATOM 265 CB VAL A 18 67.023 1.432 1.615 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.385 0.747 0.418 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.534 1.266 1.574 1.00 0.00 C ATOM 0 H VAL A 18 68.180 3.758 0.530 1.00 0.00 H new ATOM 0 HA VAL A 18 65.545 2.999 1.617 1.00 0.00 H new ATOM 0 HB VAL A 18 66.650 0.959 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.674 -0.304 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.300 0.824 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.723 1.229 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.783 0.205 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.930 1.761 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.973 1.713 2.466 1.00 0.00 H new ATOM 277 N GLU A 19 66.322 3.501 3.996 1.00 0.00 N ATOM 278 CA GLU A 19 66.745 3.984 5.295 1.00 0.00 C ATOM 279 C GLU A 19 67.088 2.811 6.197 1.00 0.00 C ATOM 280 O GLU A 19 66.500 1.730 6.074 1.00 0.00 O ATOM 281 CB GLU A 19 65.669 4.886 5.921 1.00 0.00 C ATOM 282 CG GLU A 19 64.311 4.226 6.128 1.00 0.00 C ATOM 283 CD GLU A 19 64.121 3.685 7.534 1.00 0.00 C ATOM 284 OE1 GLU A 19 64.228 4.475 8.496 1.00 0.00 O ATOM 285 OE2 GLU A 19 63.858 2.476 7.685 1.00 0.00 O ATOM 0 H GLU A 19 65.366 3.147 3.962 1.00 0.00 H new ATOM 0 HA GLU A 19 67.642 4.591 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.032 5.243 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.537 5.762 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 19 63.525 4.950 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.197 3.411 5.413 1.00 0.00 H new ATOM 292 N ILE A 20 68.074 3.002 7.059 1.00 0.00 N ATOM 293 CA ILE A 20 68.438 1.981 8.022 1.00 0.00 C ATOM 294 C ILE A 20 67.367 1.884 9.084 1.00 0.00 C ATOM 295 O ILE A 20 67.311 2.712 9.998 1.00 0.00 O ATOM 296 CB ILE A 20 69.777 2.269 8.722 1.00 0.00 C ATOM 297 CG1 ILE A 20 70.908 2.462 7.705 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.096 1.138 9.692 1.00 0.00 C ATOM 299 CD1 ILE A 20 71.138 1.274 6.797 1.00 0.00 C ATOM 0 H ILE A 20 68.634 3.853 7.110 1.00 0.00 H new ATOM 0 HA ILE A 20 68.538 1.049 7.466 1.00 0.00 H new ATOM 0 HB ILE A 20 69.688 3.201 9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 20 70.685 3.335 7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 20 71.831 2.678 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 20 71.045 1.341 10.189 1.00 0.00 H new ATOM 0 HG22 ILE A 20 69.305 1.064 10.438 1.00 0.00 H new ATOM 0 HG23 ILE A 20 70.167 0.198 9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.954 1.494 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 20 71.395 0.401 7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 20 70.230 1.069 6.229 1.00 0.00 H new ATOM 311 N ASN A 21 66.522 0.884 8.960 1.00 0.00 N ATOM 312 CA ASN A 21 65.423 0.717 9.886 1.00 0.00 C ATOM 313 C ASN A 21 65.925 0.292 11.256 1.00 0.00 C ATOM 314 O ASN A 21 67.041 -0.208 11.409 1.00 0.00 O ATOM 315 CB ASN A 21 64.390 -0.279 9.342 1.00 0.00 C ATOM 316 CG ASN A 21 64.976 -1.625 8.963 1.00 0.00 C ATOM 317 OD1 ASN A 21 65.885 -2.137 9.613 1.00 0.00 O ATOM 318 ND2 ASN A 21 64.460 -2.201 7.890 1.00 0.00 N ATOM 0 H ASN A 21 66.574 0.175 8.228 1.00 0.00 H new ATOM 0 HA ASN A 21 64.928 1.682 9.996 1.00 0.00 H new ATOM 0 HB2 ASN A 21 63.614 -0.430 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 21 63.906 0.155 8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 21 64.816 -3.103 7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 21 63.706 -1.743 7.378 1.00 0.00 H new ATOM 325 N ASN A 22 65.080 0.483 12.249 1.00 0.00 N ATOM 326 CA ASN A 22 65.415 0.190 13.638 1.00 0.00 C ATOM 327 C ASN A 22 65.367 -1.305 13.921 1.00 0.00 C ATOM 328 O ASN A 22 65.214 -1.741 15.063 1.00 0.00 O ATOM 329 CB ASN A 22 64.472 0.942 14.582 1.00 0.00 C ATOM 330 CG ASN A 22 64.613 2.448 14.468 1.00 0.00 C ATOM 331 OD1 ASN A 22 65.417 3.062 15.168 1.00 0.00 O ATOM 332 ND2 ASN A 22 63.824 3.053 13.590 1.00 0.00 N ATOM 0 H ASN A 22 64.136 0.847 12.120 1.00 0.00 H new ATOM 0 HA ASN A 22 66.436 0.528 13.813 1.00 0.00 H new ATOM 0 HB2 ASN A 22 63.442 0.659 14.362 1.00 0.00 H new ATOM 0 HB3 ASN A 22 64.674 0.638 15.609 1.00 0.00 H new ATOM 0 HD21 ASN A 22 63.870 4.066 13.476 1.00 0.00 H new ATOM 0 HD22 ASN A 22 63.171 2.506 13.029 1.00 0.00 H new ATOM 339 N ASN A 23 65.548 -2.074 12.871 1.00 0.00 N ATOM 340 CA ASN A 23 65.625 -3.521 12.961 1.00 0.00 C ATOM 341 C ASN A 23 67.091 -3.925 13.014 1.00 0.00 C ATOM 342 O ASN A 23 67.462 -4.928 13.624 1.00 0.00 O ATOM 343 CB ASN A 23 64.935 -4.167 11.752 1.00 0.00 C ATOM 344 CG ASN A 23 64.965 -5.684 11.787 1.00 0.00 C ATOM 345 OD1 ASN A 23 64.913 -6.297 12.853 1.00 0.00 O ATOM 346 ND2 ASN A 23 65.047 -6.299 10.617 1.00 0.00 N ATOM 0 H ASN A 23 65.647 -1.714 11.922 1.00 0.00 H new ATOM 0 HA ASN A 23 65.116 -3.864 13.862 1.00 0.00 H new ATOM 0 HB2 ASN A 23 63.899 -3.831 11.711 1.00 0.00 H new ATOM 0 HB3 ASN A 23 65.418 -3.821 10.838 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.069 -7.318 10.577 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.088 -5.754 9.756 1.00 0.00 H new ATOM 353 N ALA A 24 67.929 -3.098 12.398 1.00 0.00 N ATOM 354 CA ALA A 24 69.366 -3.335 12.373 1.00 0.00 C ATOM 355 C ALA A 24 70.008 -2.989 13.712 1.00 0.00 C ATOM 356 O ALA A 24 71.190 -3.244 13.924 1.00 0.00 O ATOM 357 CB ALA A 24 70.012 -2.534 11.252 1.00 0.00 C ATOM 0 H ALA A 24 67.635 -2.254 11.907 1.00 0.00 H new ATOM 0 HA ALA A 24 69.529 -4.397 12.189 1.00 0.00 H new ATOM 0 HB1 ALA A 24 71.086 -2.720 11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 24 69.584 -2.836 10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 24 69.829 -1.471 11.412 1.00 0.00 H new ATOM 363 N ARG A 25 69.215 -2.429 14.627 1.00 0.00 N ATOM 364 CA ARG A 25 69.712 -2.037 15.949 1.00 0.00 C ATOM 365 C ARG A 25 70.224 -3.244 16.726 1.00 0.00 C ATOM 366 O ARG A 25 71.037 -3.106 17.640 1.00 0.00 O ATOM 367 CB ARG A 25 68.619 -1.351 16.771 1.00 0.00 C ATOM 368 CG ARG A 25 68.202 0.013 16.254 1.00 0.00 C ATOM 369 CD ARG A 25 67.147 0.643 17.152 1.00 0.00 C ATOM 370 NE ARG A 25 65.941 -0.185 17.242 1.00 0.00 N ATOM 371 CZ ARG A 25 64.940 0.035 18.090 1.00 0.00 C ATOM 372 NH1 ARG A 25 64.976 1.070 18.921 1.00 0.00 N ATOM 373 NH2 ARG A 25 63.893 -0.782 18.096 1.00 0.00 N ATOM 0 H ARG A 25 68.225 -2.236 14.478 1.00 0.00 H new ATOM 0 HA ARG A 25 70.532 -1.339 15.783 1.00 0.00 H new ATOM 0 HB2 ARG A 25 67.742 -1.998 16.798 1.00 0.00 H new ATOM 0 HB3 ARG A 25 68.968 -1.245 17.798 1.00 0.00 H new ATOM 0 HG2 ARG A 25 69.073 0.666 16.199 1.00 0.00 H new ATOM 0 HG3 ARG A 25 67.811 -0.083 15.241 1.00 0.00 H new ATOM 0 HD2 ARG A 25 67.561 0.791 18.149 1.00 0.00 H new ATOM 0 HD3 ARG A 25 66.883 1.628 16.767 1.00 0.00 H new ATOM 0 HE ARG A 25 65.864 -0.984 16.612 1.00 0.00 H new ATOM 0 HH11 ARG A 25 65.775 1.704 18.912 1.00 0.00 H new ATOM 0 HH12 ARG A 25 64.204 1.232 19.568 1.00 0.00 H new ATOM 0 HH21 ARG A 25 63.860 -1.573 17.453 1.00 0.00 H new ATOM 0 HH22 ARG A 25 63.122 -0.619 18.744 1.00 0.00 H new ATOM 387 N TYR A 26 69.739 -4.421 16.360 1.00 0.00 N ATOM 388 CA TYR A 26 70.095 -5.645 17.061 1.00 0.00 C ATOM 389 C TYR A 26 71.370 -6.255 16.479 1.00 0.00 C ATOM 390 O TYR A 26 72.016 -7.092 17.111 1.00 0.00 O ATOM 391 CB TYR A 26 68.932 -6.637 16.974 1.00 0.00 C ATOM 392 CG TYR A 26 68.989 -7.751 17.995 1.00 0.00 C ATOM 393 CD1 TYR A 26 68.728 -7.497 19.338 1.00 0.00 C ATOM 394 CD2 TYR A 26 69.291 -9.052 17.622 1.00 0.00 C ATOM 395 CE1 TYR A 26 68.769 -8.510 20.276 1.00 0.00 C ATOM 396 CE2 TYR A 26 69.331 -10.072 18.554 1.00 0.00 C ATOM 397 CZ TYR A 26 69.069 -9.796 19.880 1.00 0.00 C ATOM 398 OH TYR A 26 69.102 -10.809 20.811 1.00 0.00 O ATOM 0 H TYR A 26 69.096 -4.554 15.579 1.00 0.00 H new ATOM 0 HA TYR A 26 70.289 -5.411 18.108 1.00 0.00 H new ATOM 0 HB2 TYR A 26 67.995 -6.093 17.098 1.00 0.00 H new ATOM 0 HB3 TYR A 26 68.917 -7.075 15.976 1.00 0.00 H new ATOM 0 HD1 TYR A 26 68.490 -6.492 19.652 1.00 0.00 H new ATOM 0 HD2 TYR A 26 69.499 -9.272 16.585 1.00 0.00 H new ATOM 0 HE1 TYR A 26 68.567 -8.296 21.315 1.00 0.00 H new ATOM 0 HE2 TYR A 26 69.566 -11.080 18.246 1.00 0.00 H new ATOM 0 HH TYR A 26 69.328 -11.653 20.368 1.00 0.00 H new ATOM 408 N GLY A 27 71.737 -5.820 15.279 1.00 0.00 N ATOM 409 CA GLY A 27 72.928 -6.340 14.631 1.00 0.00 C ATOM 410 C GLY A 27 74.009 -5.289 14.494 1.00 0.00 C ATOM 411 O GLY A 27 75.119 -5.580 14.047 1.00 0.00 O ATOM 0 H GLY A 27 71.231 -5.116 14.742 1.00 0.00 H new ATOM 0 HA2 GLY A 27 73.313 -7.183 15.205 1.00 0.00 H new ATOM 0 HA3 GLY A 27 72.666 -6.720 13.644 1.00 0.00 H new ATOM 415 N CYS A 28 73.681 -4.067 14.887 1.00 0.00 N ATOM 416 CA CYS A 28 74.595 -2.945 14.807 1.00 0.00 C ATOM 417 C CYS A 28 74.040 -1.822 15.673 1.00 0.00 C ATOM 418 O CYS A 28 73.299 -0.954 15.202 1.00 0.00 O ATOM 419 CB CYS A 28 74.773 -2.481 13.359 1.00 0.00 C ATOM 420 SG CYS A 28 76.178 -1.370 13.109 1.00 0.00 S ATOM 0 H CYS A 28 72.767 -3.828 15.272 1.00 0.00 H new ATOM 0 HA CYS A 28 75.579 -3.243 15.168 1.00 0.00 H new ATOM 0 HB2 CYS A 28 74.897 -3.356 12.721 1.00 0.00 H new ATOM 0 HB3 CYS A 28 73.862 -1.977 13.035 1.00 0.00 H new ATOM 0 HG CYS A 28 76.248 -1.034 11.855 1.00 0.00 H new ATOM 426 N PRO A 29 74.361 -1.866 16.971 1.00 0.00 N ATOM 427 CA PRO A 29 73.733 -1.012 17.980 1.00 0.00 C ATOM 428 C PRO A 29 73.933 0.476 17.734 1.00 0.00 C ATOM 429 O PRO A 29 75.058 0.940 17.543 1.00 0.00 O ATOM 430 CB PRO A 29 74.408 -1.433 19.286 1.00 0.00 C ATOM 431 CG PRO A 29 74.990 -2.774 19.012 1.00 0.00 C ATOM 432 CD PRO A 29 75.367 -2.762 17.563 1.00 0.00 C ATOM 0 HA PRO A 29 72.651 -1.141 17.977 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.180 -0.721 19.577 1.00 0.00 H new ATOM 0 HB3 PRO A 29 73.689 -1.476 20.104 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.860 -2.960 19.642 1.00 0.00 H new ATOM 0 HG3 PRO A 29 74.270 -3.564 19.223 1.00 0.00 H new ATOM 0 HD2 PRO A 29 76.380 -2.389 17.412 1.00 0.00 H new ATOM 0 HD3 PRO A 29 75.327 -3.760 17.126 1.00 0.00 H new ATOM 440 N HIS A 30 72.819 1.207 17.729 1.00 0.00 N ATOM 441 CA HIS A 30 72.820 2.666 17.598 1.00 0.00 C ATOM 442 C HIS A 30 73.586 3.137 16.365 1.00 0.00 C ATOM 443 O HIS A 30 74.300 4.139 16.407 1.00 0.00 O ATOM 444 CB HIS A 30 73.376 3.317 18.868 1.00 0.00 C ATOM 445 CG HIS A 30 72.454 3.182 20.041 1.00 0.00 C ATOM 446 ND1 HIS A 30 72.723 2.379 21.126 1.00 0.00 N ATOM 447 CD2 HIS A 30 71.247 3.745 20.284 1.00 0.00 C ATOM 448 CE1 HIS A 30 71.721 2.450 21.982 1.00 0.00 C ATOM 449 NE2 HIS A 30 70.810 3.272 21.497 1.00 0.00 N ATOM 0 H HIS A 30 71.886 0.804 17.816 1.00 0.00 H new ATOM 0 HA HIS A 30 71.785 2.980 17.465 1.00 0.00 H new ATOM 0 HB2 HIS A 30 74.337 2.863 19.113 1.00 0.00 H new ATOM 0 HB3 HIS A 30 73.562 4.374 18.678 1.00 0.00 H new ATOM 0 HD2 HIS A 30 70.724 4.438 19.642 1.00 0.00 H new ATOM 0 HE1 HIS A 30 71.657 1.923 22.923 1.00 0.00 H new ATOM 0 HE2 HIS A 30 69.928 3.516 21.948 1.00 0.00 H new ATOM 458 N HIS A 31 73.416 2.421 15.265 1.00 0.00 N ATOM 459 CA HIS A 31 74.004 2.820 13.991 1.00 0.00 C ATOM 460 C HIS A 31 72.921 2.969 12.931 1.00 0.00 C ATOM 461 O HIS A 31 73.199 2.945 11.733 1.00 0.00 O ATOM 462 CB HIS A 31 75.048 1.797 13.534 1.00 0.00 C ATOM 463 CG HIS A 31 76.395 1.964 14.175 1.00 0.00 C ATOM 464 ND1 HIS A 31 76.682 1.559 15.461 1.00 0.00 N ATOM 465 CD2 HIS A 31 77.545 2.485 13.686 1.00 0.00 C ATOM 466 CE1 HIS A 31 77.947 1.818 15.728 1.00 0.00 C ATOM 467 NE2 HIS A 31 78.496 2.379 14.669 1.00 0.00 N ATOM 0 H HIS A 31 72.874 1.558 15.226 1.00 0.00 H new ATOM 0 HA HIS A 31 74.497 3.782 14.129 1.00 0.00 H new ATOM 0 HB2 HIS A 31 74.677 0.795 13.750 1.00 0.00 H new ATOM 0 HB3 HIS A 31 75.161 1.869 12.452 1.00 0.00 H new ATOM 0 HD1 HIS A 31 76.020 1.127 16.105 1.00 0.00 H new ATOM 0 HD2 HIS A 31 77.688 2.907 12.702 1.00 0.00 H new ATOM 0 HE1 HIS A 31 78.450 1.606 16.660 1.00 0.00 H new ATOM 476 N VAL A 32 71.685 3.151 13.380 1.00 0.00 N ATOM 477 CA VAL A 32 70.552 3.242 12.469 1.00 0.00 C ATOM 478 C VAL A 32 70.124 4.693 12.276 1.00 0.00 C ATOM 479 O VAL A 32 70.681 5.603 12.897 1.00 0.00 O ATOM 480 CB VAL A 32 69.347 2.412 12.970 1.00 0.00 C ATOM 481 CG1 VAL A 32 69.750 0.962 13.186 1.00 0.00 C ATOM 482 CG2 VAL A 32 68.766 3.005 14.243 1.00 0.00 C ATOM 0 H VAL A 32 71.443 3.238 14.367 1.00 0.00 H new ATOM 0 HA VAL A 32 70.880 2.833 11.513 1.00 0.00 H new ATOM 0 HB VAL A 32 68.573 2.443 12.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 68.889 0.394 13.538 1.00 0.00 H new ATOM 0 HG12 VAL A 32 70.104 0.539 12.246 1.00 0.00 H new ATOM 0 HG13 VAL A 32 70.546 0.912 13.929 1.00 0.00 H new ATOM 0 HG21 VAL A 32 67.920 2.401 14.573 1.00 0.00 H new ATOM 0 HG22 VAL A 32 69.529 3.016 15.021 1.00 0.00 H new ATOM 0 HG23 VAL A 32 68.431 4.024 14.050 1.00 0.00 H new ATOM 492 N GLY A 33 69.133 4.902 11.418 1.00 0.00 N ATOM 493 CA GLY A 33 68.649 6.244 11.156 1.00 0.00 C ATOM 494 C GLY A 33 69.402 6.918 10.027 1.00 0.00 C ATOM 495 O GLY A 33 69.360 8.140 9.883 1.00 0.00 O ATOM 0 H GLY A 33 68.655 4.165 10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.588 6.203 10.908 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.742 6.844 12.061 1.00 0.00 H new ATOM 499 N ARG A 34 70.098 6.123 9.229 1.00 0.00 N ATOM 500 CA ARG A 34 70.864 6.651 8.109 1.00 0.00 C ATOM 501 C ARG A 34 70.137 6.356 6.805 1.00 0.00 C ATOM 502 O ARG A 34 69.585 5.272 6.633 1.00 0.00 O ATOM 503 CB ARG A 34 72.265 6.031 8.059 1.00 0.00 C ATOM 504 CG ARG A 34 72.966 5.968 9.408 1.00 0.00 C ATOM 505 CD ARG A 34 74.413 5.510 9.271 1.00 0.00 C ATOM 506 NE ARG A 34 74.546 4.291 8.478 1.00 0.00 N ATOM 507 CZ ARG A 34 75.428 3.325 8.728 1.00 0.00 C ATOM 508 NH1 ARG A 34 76.234 3.401 9.781 1.00 0.00 N ATOM 509 NH2 ARG A 34 75.513 2.289 7.907 1.00 0.00 N ATOM 0 H ARG A 34 70.149 5.110 9.336 1.00 0.00 H new ATOM 0 HA ARG A 34 70.965 7.728 8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.190 5.022 7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.881 6.607 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 34 72.938 6.951 9.879 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.429 5.285 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.999 6.305 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.832 5.341 10.263 1.00 0.00 H new ATOM 0 HE ARG A 34 73.922 4.172 7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 34 76.181 4.205 10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 34 76.906 2.656 9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 34 74.905 2.235 7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 34 76.186 1.545 8.092 1.00 0.00 H new ATOM 523 N LYS A 35 70.118 7.320 5.905 1.00 0.00 N ATOM 524 CA LYS A 35 69.533 7.112 4.591 1.00 0.00 C ATOM 525 C LYS A 35 70.630 6.786 3.590 1.00 0.00 C ATOM 526 O LYS A 35 71.582 7.548 3.436 1.00 0.00 O ATOM 527 CB LYS A 35 68.751 8.349 4.140 1.00 0.00 C ATOM 528 CG LYS A 35 67.570 8.684 5.038 1.00 0.00 C ATOM 529 CD LYS A 35 66.865 9.953 4.588 1.00 0.00 C ATOM 530 CE LYS A 35 67.806 11.146 4.600 1.00 0.00 C ATOM 531 NZ LYS A 35 67.108 12.411 4.246 1.00 0.00 N ATOM 0 H LYS A 35 70.500 8.254 6.057 1.00 0.00 H new ATOM 0 HA LYS A 35 68.836 6.276 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.426 9.204 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.390 8.190 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 35 66.863 7.854 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 35 67.916 8.804 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 35 66.467 9.812 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 35 66.016 10.151 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 35 68.254 11.244 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 35 68.620 10.972 3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 67.786 13.199 4.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 66.702 12.328 3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 66.347 12.591 4.932 1.00 0.00 H new ATOM 545 N GLY A 36 70.505 5.652 2.929 1.00 0.00 N ATOM 546 CA GLY A 36 71.525 5.227 2.000 1.00 0.00 C ATOM 547 C GLY A 36 70.952 4.766 0.679 1.00 0.00 C ATOM 548 O GLY A 36 69.736 4.705 0.506 1.00 0.00 O ATOM 0 H GLY A 36 69.713 5.015 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.217 6.051 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.101 4.416 2.445 1.00 0.00 H new ATOM 552 N LYS A 37 71.829 4.447 -0.254 1.00 0.00 N ATOM 553 CA LYS A 37 71.420 3.994 -1.570 1.00 0.00 C ATOM 554 C LYS A 37 72.123 2.686 -1.917 1.00 0.00 C ATOM 555 O LYS A 37 73.351 2.594 -1.838 1.00 0.00 O ATOM 556 CB LYS A 37 71.720 5.083 -2.610 1.00 0.00 C ATOM 557 CG LYS A 37 71.591 4.624 -4.055 1.00 0.00 C ATOM 558 CD LYS A 37 71.536 5.798 -5.027 1.00 0.00 C ATOM 559 CE LYS A 37 72.701 6.767 -4.846 1.00 0.00 C ATOM 560 NZ LYS A 37 74.025 6.104 -4.989 1.00 0.00 N ATOM 0 H LYS A 37 72.839 4.494 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 37 70.346 3.807 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.043 5.921 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.732 5.454 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 37 72.436 3.983 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.690 4.021 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 37 71.539 5.419 -6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 37 70.597 6.335 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 37 72.619 7.569 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 37 72.635 7.229 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 74.779 6.817 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 74.146 5.403 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 74.077 5.628 -5.912 1.00 0.00 H new ATOM 574 N ILE A 38 71.337 1.672 -2.265 1.00 0.00 N ATOM 575 CA ILE A 38 71.877 0.370 -2.642 1.00 0.00 C ATOM 576 C ILE A 38 72.670 0.493 -3.938 1.00 0.00 C ATOM 577 O ILE A 38 72.137 0.931 -4.957 1.00 0.00 O ATOM 578 CB ILE A 38 70.755 -0.676 -2.830 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.910 -0.783 -1.557 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.342 -2.034 -3.201 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.724 -1.712 -1.689 1.00 0.00 C ATOM 0 H ILE A 38 70.319 1.728 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 38 72.528 0.035 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 38 70.111 -0.350 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.543 -1.130 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.553 0.210 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.536 -2.756 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.902 -1.946 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 38 72.009 -2.371 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.174 -1.736 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 38 68.069 -1.355 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 38 69.073 -2.716 -1.931 1.00 0.00 H new ATOM 593 N ILE A 39 73.939 0.102 -3.900 1.00 0.00 N ATOM 594 CA ILE A 39 74.823 0.301 -5.044 1.00 0.00 C ATOM 595 C ILE A 39 75.342 -1.017 -5.608 1.00 0.00 C ATOM 596 O ILE A 39 76.017 -1.032 -6.638 1.00 0.00 O ATOM 597 CB ILE A 39 76.028 1.199 -4.687 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.806 0.614 -3.503 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.560 2.616 -4.382 1.00 0.00 C ATOM 600 CD1 ILE A 39 78.069 1.377 -3.159 1.00 0.00 C ATOM 0 H ILE A 39 74.376 -0.351 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 39 74.217 0.795 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 39 76.699 1.237 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.156 0.594 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 39 77.068 -0.420 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.420 3.237 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 39 75.056 3.029 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.869 2.597 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.562 0.901 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.741 1.375 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 39 77.814 2.405 -2.900 1.00 0.00 H new ATOM 612 N GLU A 40 75.034 -2.122 -4.942 1.00 0.00 N ATOM 613 CA GLU A 40 75.514 -3.425 -5.384 1.00 0.00 C ATOM 614 C GLU A 40 74.676 -4.549 -4.779 1.00 0.00 C ATOM 615 O GLU A 40 74.006 -4.362 -3.759 1.00 0.00 O ATOM 616 CB GLU A 40 76.991 -3.601 -5.001 1.00 0.00 C ATOM 617 CG GLU A 40 77.637 -4.849 -5.583 1.00 0.00 C ATOM 618 CD GLU A 40 77.559 -4.893 -7.096 1.00 0.00 C ATOM 619 OE1 GLU A 40 78.463 -4.346 -7.756 1.00 0.00 O ATOM 620 OE2 GLU A 40 76.588 -5.473 -7.630 1.00 0.00 O ATOM 0 H GLU A 40 74.458 -2.143 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 40 75.419 -3.475 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.549 -2.726 -5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.072 -3.635 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.682 -4.890 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 40 77.148 -5.732 -5.172 1.00 0.00 H new ATOM 627 N HIS A 41 74.701 -5.705 -5.427 1.00 0.00 N ATOM 628 CA HIS A 41 74.042 -6.895 -4.910 1.00 0.00 C ATOM 629 C HIS A 41 75.087 -7.937 -4.541 1.00 0.00 C ATOM 630 O HIS A 41 76.026 -8.178 -5.303 1.00 0.00 O ATOM 631 CB HIS A 41 73.062 -7.471 -5.934 1.00 0.00 C ATOM 632 CG HIS A 41 71.879 -6.593 -6.205 1.00 0.00 C ATOM 633 ND1 HIS A 41 71.454 -5.607 -5.337 1.00 0.00 N ATOM 634 CD2 HIS A 41 71.029 -6.558 -7.256 1.00 0.00 C ATOM 635 CE1 HIS A 41 70.392 -5.009 -5.844 1.00 0.00 C ATOM 636 NE2 HIS A 41 70.115 -5.567 -7.005 1.00 0.00 N ATOM 0 H HIS A 41 75.175 -5.844 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 41 73.475 -6.618 -4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.592 -7.648 -6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.709 -8.439 -5.579 1.00 0.00 H new ATOM 0 HD2 HIS A 41 71.063 -7.192 -8.130 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.843 -4.200 -5.385 1.00 0.00 H new ATOM 0 HE2 HIS A 41 69.344 -5.304 -7.619 1.00 0.00 H new ATOM 645 N LEU A 42 74.933 -8.545 -3.379 1.00 0.00 N ATOM 646 CA LEU A 42 75.919 -9.493 -2.890 1.00 0.00 C ATOM 647 C LEU A 42 75.433 -10.923 -3.067 1.00 0.00 C ATOM 648 O LEU A 42 74.328 -11.268 -2.649 1.00 0.00 O ATOM 649 CB LEU A 42 76.223 -9.226 -1.417 1.00 0.00 C ATOM 650 CG LEU A 42 76.765 -7.830 -1.109 1.00 0.00 C ATOM 651 CD1 LEU A 42 76.961 -7.653 0.385 1.00 0.00 C ATOM 652 CD2 LEU A 42 78.075 -7.590 -1.843 1.00 0.00 C ATOM 0 H LEU A 42 74.137 -8.400 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 42 76.831 -9.364 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 42 75.311 -9.380 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.947 -9.964 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 42 76.035 -7.097 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.347 -6.654 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.006 -7.782 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.670 -8.396 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.444 -6.591 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.810 -8.331 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.911 -7.676 -2.917 1.00 0.00 H new ATOM 664 N HIS A 43 76.256 -11.754 -3.698 1.00 0.00 N ATOM 665 CA HIS A 43 75.928 -13.168 -3.825 1.00 0.00 C ATOM 666 C HIS A 43 76.338 -13.905 -2.549 1.00 0.00 C ATOM 667 O HIS A 43 77.413 -14.493 -2.453 1.00 0.00 O ATOM 668 CB HIS A 43 76.553 -13.800 -5.092 1.00 0.00 C ATOM 669 CG HIS A 43 78.057 -13.868 -5.126 1.00 0.00 C ATOM 670 ND1 HIS A 43 78.755 -15.038 -4.915 1.00 0.00 N ATOM 671 CD2 HIS A 43 78.991 -12.921 -5.380 1.00 0.00 C ATOM 672 CE1 HIS A 43 80.047 -14.811 -5.039 1.00 0.00 C ATOM 673 NE2 HIS A 43 80.222 -13.534 -5.322 1.00 0.00 N ATOM 0 H HIS A 43 77.141 -11.478 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 43 74.849 -13.264 -3.949 1.00 0.00 H new ATOM 0 HB2 HIS A 43 76.161 -14.812 -5.200 1.00 0.00 H new ATOM 0 HB3 HIS A 43 76.216 -13.234 -5.960 1.00 0.00 H new ATOM 0 HD2 HIS A 43 78.805 -11.878 -5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.830 -15.546 -4.928 1.00 0.00 H new ATOM 0 HE2 HIS A 43 81.121 -13.077 -5.473 1.00 0.00 H new ATOM 682 N SER A 44 75.480 -13.823 -1.548 1.00 0.00 N ATOM 683 CA SER A 44 75.770 -14.387 -0.244 1.00 0.00 C ATOM 684 C SER A 44 74.471 -14.709 0.488 1.00 0.00 C ATOM 685 O SER A 44 73.383 -14.474 -0.035 1.00 0.00 O ATOM 686 CB SER A 44 76.618 -13.394 0.568 1.00 0.00 C ATOM 687 OG SER A 44 76.981 -13.924 1.835 1.00 0.00 O ATOM 0 H SER A 44 74.570 -13.367 -1.616 1.00 0.00 H new ATOM 0 HA SER A 44 76.332 -15.313 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.518 -13.142 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.060 -12.468 0.708 1.00 0.00 H new ATOM 0 HG SER A 44 77.520 -13.267 2.322 1.00 0.00 H new ATOM 693 N ALA A 45 74.593 -15.258 1.686 1.00 0.00 N ATOM 694 CA ALA A 45 73.443 -15.539 2.527 1.00 0.00 C ATOM 695 C ALA A 45 73.594 -14.782 3.833 1.00 0.00 C ATOM 696 O ALA A 45 72.751 -14.856 4.724 1.00 0.00 O ATOM 697 CB ALA A 45 73.319 -17.034 2.779 1.00 0.00 C ATOM 0 H ALA A 45 75.488 -15.520 2.100 1.00 0.00 H new ATOM 0 HA ALA A 45 72.533 -15.213 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 45 72.452 -17.226 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 45 73.198 -17.554 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 45 74.218 -17.395 3.278 1.00 0.00 H new ATOM 703 N THR A 46 74.698 -14.057 3.928 1.00 0.00 N ATOM 704 CA THR A 46 75.000 -13.265 5.099 1.00 0.00 C ATOM 705 C THR A 46 74.572 -11.817 4.880 1.00 0.00 C ATOM 706 O THR A 46 74.064 -11.162 5.787 1.00 0.00 O ATOM 707 CB THR A 46 76.507 -13.327 5.401 1.00 0.00 C ATOM 708 OG1 THR A 46 76.979 -14.669 5.213 1.00 0.00 O ATOM 709 CG2 THR A 46 76.792 -12.893 6.823 1.00 0.00 C ATOM 0 H THR A 46 75.405 -14.004 3.195 1.00 0.00 H new ATOM 0 HA THR A 46 74.450 -13.670 5.949 1.00 0.00 H new ATOM 0 HB THR A 46 77.022 -12.650 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.939 -14.708 5.404 1.00 0.00 H new ATOM 0 HG21 THR A 46 77.864 -12.946 7.012 1.00 0.00 H new ATOM 0 HG22 THR A 46 76.448 -11.869 6.967 1.00 0.00 H new ATOM 0 HG23 THR A 46 76.269 -13.552 7.516 1.00 0.00 H new ATOM 717 N TYR A 47 74.779 -11.336 3.660 1.00 0.00 N ATOM 718 CA TYR A 47 74.380 -9.990 3.272 1.00 0.00 C ATOM 719 C TYR A 47 73.768 -10.043 1.880 1.00 0.00 C ATOM 720 O TYR A 47 74.284 -10.740 1.004 1.00 0.00 O ATOM 721 CB TYR A 47 75.582 -9.037 3.256 1.00 0.00 C ATOM 722 CG TYR A 47 76.402 -9.016 4.530 1.00 0.00 C ATOM 723 CD1 TYR A 47 75.953 -8.344 5.660 1.00 0.00 C ATOM 724 CD2 TYR A 47 77.636 -9.653 4.593 1.00 0.00 C ATOM 725 CE1 TYR A 47 76.712 -8.306 6.815 1.00 0.00 C ATOM 726 CE2 TYR A 47 78.397 -9.624 5.745 1.00 0.00 C ATOM 727 CZ TYR A 47 77.932 -8.947 6.853 1.00 0.00 C ATOM 728 OH TYR A 47 78.689 -8.910 8.003 1.00 0.00 O ATOM 0 H TYR A 47 75.227 -11.867 2.914 1.00 0.00 H new ATOM 0 HA TYR A 47 73.658 -9.618 3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 47 76.234 -9.313 2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 47 75.223 -8.027 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 47 74.996 -7.844 5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 47 78.006 -10.180 3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 47 76.351 -7.776 7.684 1.00 0.00 H new ATOM 0 HE2 TYR A 47 79.351 -10.129 5.778 1.00 0.00 H new ATOM 0 HH TYR A 47 79.520 -9.411 7.864 1.00 0.00 H new ATOM 738 N ASP A 48 72.669 -9.330 1.677 1.00 0.00 N ATOM 739 CA ASP A 48 72.012 -9.317 0.376 1.00 0.00 C ATOM 740 C ASP A 48 72.463 -8.118 -0.449 1.00 0.00 C ATOM 741 O ASP A 48 72.682 -8.224 -1.660 1.00 0.00 O ATOM 742 CB ASP A 48 70.487 -9.260 0.521 1.00 0.00 C ATOM 743 CG ASP A 48 69.894 -10.446 1.250 1.00 0.00 C ATOM 744 OD1 ASP A 48 69.806 -11.540 0.656 1.00 0.00 O ATOM 745 OD2 ASP A 48 69.482 -10.279 2.416 1.00 0.00 O ATOM 0 H ASP A 48 72.216 -8.757 2.389 1.00 0.00 H new ATOM 0 HA ASP A 48 72.293 -10.241 -0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.217 -8.348 1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.040 -9.196 -0.471 1.00 0.00 H new ATOM 750 N TYR A 49 72.607 -6.971 0.205 1.00 0.00 N ATOM 751 CA TYR A 49 72.829 -5.722 -0.513 1.00 0.00 C ATOM 752 C TYR A 49 74.000 -4.936 0.061 1.00 0.00 C ATOM 753 O TYR A 49 74.340 -5.070 1.239 1.00 0.00 O ATOM 754 CB TYR A 49 71.568 -4.854 -0.461 1.00 0.00 C ATOM 755 CG TYR A 49 70.314 -5.574 -0.900 1.00 0.00 C ATOM 756 CD1 TYR A 49 70.023 -5.753 -2.246 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.426 -6.084 0.037 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.883 -6.421 -2.643 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.283 -6.752 -0.354 1.00 0.00 C ATOM 760 CZ TYR A 49 68.018 -6.918 -1.695 1.00 0.00 C ATOM 761 OH TYR A 49 66.882 -7.591 -2.088 1.00 0.00 O ATOM 0 H TYR A 49 72.575 -6.880 1.220 1.00 0.00 H new ATOM 0 HA TYR A 49 73.065 -5.980 -1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.430 -4.491 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.714 -3.979 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.699 -5.364 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.633 -5.956 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.670 -6.553 -3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.601 -7.142 0.387 1.00 0.00 H new ATOM 0 HH TYR A 49 66.091 -7.127 -1.743 1.00 0.00 H new ATOM 771 N ALA A 50 74.603 -4.108 -0.782 1.00 0.00 N ATOM 772 CA ALA A 50 75.642 -3.191 -0.353 1.00 0.00 C ATOM 773 C ALA A 50 75.122 -1.768 -0.476 1.00 0.00 C ATOM 774 O ALA A 50 74.817 -1.301 -1.577 1.00 0.00 O ATOM 775 CB ALA A 50 76.903 -3.381 -1.180 1.00 0.00 C ATOM 0 H ALA A 50 74.385 -4.056 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 50 75.900 -3.393 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.669 -2.683 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.265 -4.402 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.681 -3.194 -2.231 1.00 0.00 H new ATOM 781 N VAL A 51 74.996 -1.095 0.650 1.00 0.00 N ATOM 782 CA VAL A 51 74.380 0.220 0.686 1.00 0.00 C ATOM 783 C VAL A 51 75.420 1.305 0.928 1.00 0.00 C ATOM 784 O VAL A 51 76.306 1.149 1.767 1.00 0.00 O ATOM 785 CB VAL A 51 73.309 0.289 1.794 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.596 1.632 1.786 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.313 -0.847 1.639 1.00 0.00 C ATOM 0 H VAL A 51 75.313 -1.437 1.557 1.00 0.00 H new ATOM 0 HA VAL A 51 73.910 0.388 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 51 73.811 0.184 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.847 1.651 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.320 2.429 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.109 1.780 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.564 -0.784 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.824 -0.772 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.835 -1.801 1.710 1.00 0.00 H new ATOM 797 N SER A 52 75.318 2.390 0.178 1.00 0.00 N ATOM 798 CA SER A 52 76.158 3.547 0.407 1.00 0.00 C ATOM 799 C SER A 52 75.373 4.583 1.204 1.00 0.00 C ATOM 800 O SER A 52 74.481 5.254 0.675 1.00 0.00 O ATOM 801 CB SER A 52 76.650 4.126 -0.921 1.00 0.00 C ATOM 802 OG SER A 52 77.651 5.112 -0.719 1.00 0.00 O ATOM 0 H SER A 52 74.660 2.491 -0.595 1.00 0.00 H new ATOM 0 HA SER A 52 77.038 3.253 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 52 77.048 3.325 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 52 75.811 4.563 -1.462 1.00 0.00 H new ATOM 0 HG SER A 52 77.946 5.461 -1.586 1.00 0.00 H new ATOM 808 N ASP A 53 75.695 4.676 2.486 1.00 0.00 N ATOM 809 CA ASP A 53 74.983 5.538 3.420 1.00 0.00 C ATOM 810 C ASP A 53 75.259 7.013 3.151 1.00 0.00 C ATOM 811 O ASP A 53 76.198 7.366 2.434 1.00 0.00 O ATOM 812 CB ASP A 53 75.388 5.207 4.859 1.00 0.00 C ATOM 813 CG ASP A 53 74.959 3.819 5.296 1.00 0.00 C ATOM 814 OD1 ASP A 53 75.711 2.847 5.052 1.00 0.00 O ATOM 815 OD2 ASP A 53 73.880 3.700 5.915 1.00 0.00 O ATOM 0 H ASP A 53 76.461 4.153 2.910 1.00 0.00 H new ATOM 0 HA ASP A 53 73.917 5.356 3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.471 5.292 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.950 5.944 5.532 1.00 0.00 H new ATOM 820 N GLU A 54 74.438 7.867 3.754 1.00 0.00 N ATOM 821 CA GLU A 54 74.577 9.315 3.632 1.00 0.00 C ATOM 822 C GLU A 54 75.890 9.802 4.242 1.00 0.00 C ATOM 823 O GLU A 54 76.386 10.876 3.903 1.00 0.00 O ATOM 824 CB GLU A 54 73.401 10.010 4.325 1.00 0.00 C ATOM 825 CG GLU A 54 73.282 9.665 5.803 1.00 0.00 C ATOM 826 CD GLU A 54 72.125 10.364 6.480 1.00 0.00 C ATOM 827 OE1 GLU A 54 72.288 11.533 6.888 1.00 0.00 O ATOM 828 OE2 GLU A 54 71.051 9.746 6.613 1.00 0.00 O ATOM 0 H GLU A 54 73.657 7.575 4.341 1.00 0.00 H new ATOM 0 HA GLU A 54 74.581 9.564 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.512 11.089 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.476 9.734 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 54 73.162 8.587 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 54 74.209 9.934 6.309 1.00 0.00 H new ATOM 835 N THR A 55 76.440 9.007 5.148 1.00 0.00 N ATOM 836 CA THR A 55 77.688 9.340 5.811 1.00 0.00 C ATOM 837 C THR A 55 78.890 8.950 4.955 1.00 0.00 C ATOM 838 O THR A 55 80.034 9.251 5.294 1.00 0.00 O ATOM 839 CB THR A 55 77.775 8.626 7.170 1.00 0.00 C ATOM 840 OG1 THR A 55 77.346 7.267 7.020 1.00 0.00 O ATOM 841 CG2 THR A 55 76.912 9.322 8.211 1.00 0.00 C ATOM 0 H THR A 55 76.035 8.118 5.442 1.00 0.00 H new ATOM 0 HA THR A 55 77.706 10.419 5.963 1.00 0.00 H new ATOM 0 HB THR A 55 78.810 8.656 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 55 78.118 6.669 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 55 76.993 8.795 9.162 1.00 0.00 H new ATOM 0 HG22 THR A 55 77.251 10.350 8.336 1.00 0.00 H new ATOM 0 HG23 THR A 55 75.873 9.320 7.882 1.00 0.00 H new ATOM 849 N GLY A 56 78.621 8.285 3.838 1.00 0.00 N ATOM 850 CA GLY A 56 79.688 7.838 2.966 1.00 0.00 C ATOM 851 C GLY A 56 80.124 6.427 3.287 1.00 0.00 C ATOM 852 O GLY A 56 81.180 5.977 2.846 1.00 0.00 O ATOM 0 H GLY A 56 77.681 8.047 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.355 7.888 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.540 8.512 3.060 1.00 0.00 H new ATOM 856 N ASP A 57 79.316 5.730 4.068 1.00 0.00 N ATOM 857 CA ASP A 57 79.600 4.348 4.435 1.00 0.00 C ATOM 858 C ASP A 57 79.182 3.406 3.326 1.00 0.00 C ATOM 859 O ASP A 57 78.181 3.633 2.657 1.00 0.00 O ATOM 860 CB ASP A 57 78.861 3.957 5.719 1.00 0.00 C ATOM 861 CG ASP A 57 79.527 4.477 6.973 1.00 0.00 C ATOM 862 OD1 ASP A 57 79.426 5.689 7.254 1.00 0.00 O ATOM 863 OD2 ASP A 57 80.170 3.673 7.684 1.00 0.00 O ATOM 0 H ASP A 57 78.452 6.100 4.464 1.00 0.00 H new ATOM 0 HA ASP A 57 80.675 4.268 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 57 77.841 4.337 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 57 78.794 2.871 5.775 1.00 0.00 H new ATOM 868 N ILE A 58 79.966 2.368 3.111 1.00 0.00 N ATOM 869 CA ILE A 58 79.545 1.268 2.270 1.00 0.00 C ATOM 870 C ILE A 58 79.277 0.067 3.161 1.00 0.00 C ATOM 871 O ILE A 58 80.175 -0.734 3.447 1.00 0.00 O ATOM 872 CB ILE A 58 80.587 0.914 1.185 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.900 2.148 0.329 1.00 0.00 C ATOM 874 CG2 ILE A 58 80.075 -0.228 0.313 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.949 1.909 -0.734 1.00 0.00 C ATOM 0 H ILE A 58 80.900 2.264 3.509 1.00 0.00 H new ATOM 0 HA ILE A 58 78.642 1.565 1.737 1.00 0.00 H new ATOM 0 HB ILE A 58 81.506 0.589 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.982 2.487 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 58 81.235 2.954 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 58 80.819 -0.467 -0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.894 -1.106 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 58 79.146 0.072 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 58 82.114 2.828 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.882 1.600 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 58 81.609 1.126 -1.411 1.00 0.00 H new ATOM 887 N THR A 59 78.052 -0.028 3.638 1.00 0.00 N ATOM 888 CA THR A 59 77.697 -1.029 4.617 1.00 0.00 C ATOM 889 C THR A 59 76.880 -2.136 3.970 1.00 0.00 C ATOM 890 O THR A 59 76.052 -1.879 3.093 1.00 0.00 O ATOM 891 CB THR A 59 76.900 -0.403 5.776 1.00 0.00 C ATOM 892 OG1 THR A 59 77.407 0.907 6.075 1.00 0.00 O ATOM 893 CG2 THR A 59 76.997 -1.273 7.018 1.00 0.00 C ATOM 0 H THR A 59 77.283 0.581 3.360 1.00 0.00 H new ATOM 0 HA THR A 59 78.619 -1.452 5.016 1.00 0.00 H new ATOM 0 HB THR A 59 75.856 -0.328 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 59 76.801 1.584 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.428 -0.816 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.591 -2.261 6.802 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.041 -1.366 7.316 1.00 0.00 H new ATOM 901 N TYR A 60 77.122 -3.364 4.386 1.00 0.00 N ATOM 902 CA TYR A 60 76.434 -4.505 3.817 1.00 0.00 C ATOM 903 C TYR A 60 75.315 -4.942 4.746 1.00 0.00 C ATOM 904 O TYR A 60 75.535 -5.145 5.939 1.00 0.00 O ATOM 905 CB TYR A 60 77.425 -5.649 3.593 1.00 0.00 C ATOM 906 CG TYR A 60 78.721 -5.191 2.966 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.789 -4.869 1.617 1.00 0.00 C ATOM 908 CD2 TYR A 60 79.873 -5.064 3.730 1.00 0.00 C ATOM 909 CE1 TYR A 60 79.969 -4.433 1.049 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.057 -4.633 3.168 1.00 0.00 C ATOM 911 CZ TYR A 60 81.098 -4.317 1.828 1.00 0.00 C ATOM 912 OH TYR A 60 82.273 -3.875 1.265 1.00 0.00 O ATOM 0 H TYR A 60 77.792 -3.597 5.119 1.00 0.00 H new ATOM 0 HA TYR A 60 76.002 -4.227 2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.639 -6.129 4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 60 76.964 -6.402 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 60 77.905 -4.961 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.842 -5.307 4.782 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.006 -4.184 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 60 81.946 -4.544 3.775 1.00 0.00 H new ATOM 0 HH TYR A 60 82.974 -3.849 1.949 1.00 0.00 H new ATOM 922 N PHE A 61 74.118 -5.064 4.203 1.00 0.00 N ATOM 923 CA PHE A 61 72.958 -5.428 5.000 1.00 0.00 C ATOM 924 C PHE A 61 72.147 -6.505 4.305 1.00 0.00 C ATOM 925 O PHE A 61 72.454 -6.902 3.177 1.00 0.00 O ATOM 926 CB PHE A 61 72.064 -4.212 5.256 1.00 0.00 C ATOM 927 CG PHE A 61 72.614 -3.239 6.261 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.587 -3.539 7.614 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.141 -2.025 5.858 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.077 -2.646 8.547 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.635 -1.128 6.786 1.00 0.00 C ATOM 932 CZ PHE A 61 73.602 -1.438 8.133 1.00 0.00 C ATOM 0 H PHE A 61 73.922 -4.917 3.213 1.00 0.00 H new ATOM 0 HA PHE A 61 73.323 -5.809 5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 61 71.903 -3.690 4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.089 -4.558 5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.178 -4.483 7.943 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.167 -1.776 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.050 -2.892 9.598 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.047 -0.185 6.459 1.00 0.00 H new ATOM 0 HZ PHE A 61 73.986 -0.737 8.859 1.00 0.00 H new ATOM 942 N LYS A 62 71.115 -6.976 4.979 1.00 0.00 N ATOM 943 CA LYS A 62 70.212 -7.941 4.393 1.00 0.00 C ATOM 944 C LYS A 62 68.910 -7.274 3.980 1.00 0.00 C ATOM 945 O LYS A 62 68.681 -6.096 4.257 1.00 0.00 O ATOM 946 CB LYS A 62 69.925 -9.100 5.351 1.00 0.00 C ATOM 947 CG LYS A 62 70.851 -10.293 5.179 1.00 0.00 C ATOM 948 CD LYS A 62 70.317 -11.522 5.902 1.00 0.00 C ATOM 949 CE LYS A 62 68.905 -11.888 5.443 1.00 0.00 C ATOM 950 NZ LYS A 62 68.840 -12.230 3.996 1.00 0.00 N ATOM 0 H LYS A 62 70.883 -6.704 5.934 1.00 0.00 H new ATOM 0 HA LYS A 62 70.701 -8.348 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 62 70.004 -8.738 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 62 68.896 -9.429 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 62 70.967 -10.515 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 62 71.841 -10.045 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 62 70.985 -12.365 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 62 70.313 -11.337 6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 62 68.545 -12.734 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 62 68.234 -11.053 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 67.846 -12.337 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 69.281 -11.470 3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 69.347 -13.122 3.827 1.00 0.00 H new ATOM 964 N GLU A 63 68.078 -8.053 3.317 1.00 0.00 N ATOM 965 CA GLU A 63 66.793 -7.599 2.790 1.00 0.00 C ATOM 966 C GLU A 63 65.941 -6.847 3.815 1.00 0.00 C ATOM 967 O GLU A 63 65.343 -5.823 3.495 1.00 0.00 O ATOM 968 CB GLU A 63 66.032 -8.812 2.258 1.00 0.00 C ATOM 969 CG GLU A 63 65.901 -9.915 3.291 1.00 0.00 C ATOM 970 CD GLU A 63 65.446 -11.233 2.714 1.00 0.00 C ATOM 971 OE1 GLU A 63 64.276 -11.332 2.306 1.00 0.00 O ATOM 972 OE2 GLU A 63 66.258 -12.186 2.692 1.00 0.00 O ATOM 0 H GLU A 63 68.273 -9.035 3.123 1.00 0.00 H new ATOM 0 HA GLU A 63 66.998 -6.883 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.038 -8.501 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.545 -9.201 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.863 -10.056 3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.194 -9.600 4.058 1.00 0.00 H new ATOM 979 N HIS A 64 65.895 -7.344 5.039 1.00 0.00 N ATOM 980 CA HIS A 64 64.984 -6.795 6.053 1.00 0.00 C ATOM 981 C HIS A 64 65.663 -5.752 6.934 1.00 0.00 C ATOM 982 O HIS A 64 65.046 -5.207 7.853 1.00 0.00 O ATOM 983 CB HIS A 64 64.395 -7.907 6.927 1.00 0.00 C ATOM 984 CG HIS A 64 63.445 -8.810 6.199 1.00 0.00 C ATOM 985 ND1 HIS A 64 63.625 -10.038 5.658 1.00 0.00 N flip ATOM 986 CD2 HIS A 64 62.133 -8.477 5.950 1.00 0.00 C flip ATOM 987 CE1 HIS A 64 62.430 -10.417 5.094 1.00 0.00 C flip ATOM 988 NE2 HIS A 64 61.549 -9.455 5.288 1.00 0.00 N flip ATOM 0 H HIS A 64 66.470 -8.122 5.362 1.00 0.00 H new ATOM 0 HA HIS A 64 64.177 -6.303 5.510 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.210 -8.505 7.335 1.00 0.00 H new ATOM 0 HB3 HIS A 64 63.876 -7.455 7.773 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.656 -7.556 6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 64 62.244 -11.347 4.578 1.00 0.00 H new ATOM 0 HE2 HIS A 64 60.578 -9.466 4.977 1.00 0.00 H new ATOM 997 N GLU A 65 66.924 -5.466 6.654 1.00 0.00 N ATOM 998 CA GLU A 65 67.653 -4.435 7.382 1.00 0.00 C ATOM 999 C GLU A 65 67.550 -3.106 6.648 1.00 0.00 C ATOM 1000 O GLU A 65 68.075 -2.086 7.095 1.00 0.00 O ATOM 1001 CB GLU A 65 69.124 -4.831 7.550 1.00 0.00 C ATOM 1002 CG GLU A 65 69.396 -5.749 8.738 1.00 0.00 C ATOM 1003 CD GLU A 65 68.531 -6.995 8.758 1.00 0.00 C ATOM 1004 OE1 GLU A 65 68.547 -7.755 7.770 1.00 0.00 O ATOM 1005 OE2 GLU A 65 67.840 -7.221 9.773 1.00 0.00 O ATOM 0 H GLU A 65 67.466 -5.933 5.927 1.00 0.00 H new ATOM 0 HA GLU A 65 67.208 -4.330 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.461 -5.326 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.721 -3.926 7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 65 70.445 -6.046 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 65 69.235 -5.191 9.661 1.00 0.00 H new ATOM 1012 N LEU A 66 66.856 -3.127 5.519 1.00 0.00 N ATOM 1013 CA LEU A 66 66.709 -1.947 4.687 1.00 0.00 C ATOM 1014 C LEU A 66 65.239 -1.659 4.421 1.00 0.00 C ATOM 1015 O LEU A 66 64.497 -2.536 3.977 1.00 0.00 O ATOM 1016 CB LEU A 66 67.439 -2.155 3.358 1.00 0.00 C ATOM 1017 CG LEU A 66 68.924 -2.502 3.476 1.00 0.00 C ATOM 1018 CD1 LEU A 66 69.492 -2.852 2.113 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.693 -1.342 4.097 1.00 0.00 C ATOM 0 H LEU A 66 66.384 -3.956 5.158 1.00 0.00 H new ATOM 0 HA LEU A 66 67.143 -1.097 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.939 -2.952 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 66 67.341 -1.247 2.762 1.00 0.00 H new ATOM 0 HG LEU A 66 69.029 -3.370 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.550 -3.097 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.957 -3.710 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.378 -2.001 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.748 -1.605 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.584 -0.457 3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.297 -1.134 5.091 1.00 0.00 H new ATOM 1031 N THR A 67 64.818 -0.439 4.704 1.00 0.00 N ATOM 1032 CA THR A 67 63.461 -0.020 4.399 1.00 0.00 C ATOM 1033 C THR A 67 63.465 0.995 3.257 1.00 0.00 C ATOM 1034 O THR A 67 64.045 2.074 3.379 1.00 0.00 O ATOM 1035 CB THR A 67 62.779 0.590 5.637 1.00 0.00 C ATOM 1036 OG1 THR A 67 62.727 -0.371 6.696 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.371 1.066 5.313 1.00 0.00 C ATOM 0 H THR A 67 65.395 0.278 5.144 1.00 0.00 H new ATOM 0 HA THR A 67 62.897 -0.902 4.094 1.00 0.00 H new ATOM 0 HB THR A 67 63.370 1.450 5.953 1.00 0.00 H new ATOM 0 HG1 THR A 67 62.038 -0.109 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.916 1.492 6.207 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.414 1.825 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.772 0.223 4.967 1.00 0.00 H new ATOM 1045 N PRO A 68 62.844 0.648 2.120 1.00 0.00 N ATOM 1046 CA PRO A 68 62.791 1.521 0.942 1.00 0.00 C ATOM 1047 C PRO A 68 62.000 2.798 1.195 1.00 0.00 C ATOM 1048 O PRO A 68 60.868 2.756 1.686 1.00 0.00 O ATOM 1049 CB PRO A 68 62.082 0.666 -0.118 1.00 0.00 C ATOM 1050 CG PRO A 68 62.149 -0.732 0.391 1.00 0.00 C ATOM 1051 CD PRO A 68 62.143 -0.623 1.887 1.00 0.00 C ATOM 0 HA PRO A 68 63.787 1.852 0.648 1.00 0.00 H new ATOM 0 HB2 PRO A 68 61.049 0.986 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 68 62.573 0.755 -1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 68 61.300 -1.318 0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 68 63.051 -1.233 0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.130 -0.606 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.658 -1.461 2.356 1.00 0.00 H new ATOM 1059 N LEU A 69 62.598 3.932 0.855 1.00 0.00 N ATOM 1060 CA LEU A 69 61.923 5.213 0.964 1.00 0.00 C ATOM 1061 C LEU A 69 60.904 5.346 -0.160 1.00 0.00 C ATOM 1062 O LEU A 69 61.242 5.761 -1.269 1.00 0.00 O ATOM 1063 CB LEU A 69 62.930 6.367 0.893 1.00 0.00 C ATOM 1064 CG LEU A 69 63.983 6.401 2.006 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.050 7.439 1.698 1.00 0.00 C ATOM 1066 CD2 LEU A 69 63.337 6.704 3.350 1.00 0.00 C ATOM 0 H LEU A 69 63.553 3.988 0.500 1.00 0.00 H new ATOM 0 HA LEU A 69 61.416 5.260 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 69 63.444 6.317 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.379 7.307 0.911 1.00 0.00 H new ATOM 0 HG LEU A 69 64.451 5.418 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.789 7.449 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.539 7.190 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.588 8.423 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.103 6.723 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 69 62.841 7.674 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 69 62.604 5.932 3.583 1.00 0.00 H new ATOM 1078 N LYS A 70 59.670 4.948 0.114 1.00 0.00 N ATOM 1079 CA LYS A 70 58.608 5.007 -0.882 1.00 0.00 C ATOM 1080 C LYS A 70 58.266 6.454 -1.210 1.00 0.00 C ATOM 1081 O LYS A 70 58.683 6.989 -2.237 1.00 0.00 O ATOM 1082 CB LYS A 70 57.366 4.255 -0.389 1.00 0.00 C ATOM 1083 CG LYS A 70 57.630 2.786 -0.091 1.00 0.00 C ATOM 1084 CD LYS A 70 56.362 2.054 0.321 1.00 0.00 C ATOM 1085 CE LYS A 70 56.655 0.602 0.661 1.00 0.00 C ATOM 1086 NZ LYS A 70 55.421 -0.155 1.000 1.00 0.00 N ATOM 0 H LYS A 70 59.378 4.580 1.019 1.00 0.00 H new ATOM 0 HA LYS A 70 58.961 4.523 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 70 56.990 4.740 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 70 56.581 4.330 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 70 58.055 2.307 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 58.371 2.704 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 70 55.916 2.550 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 70 55.632 2.101 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 70 57.151 0.125 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 70 57.348 0.560 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 55.669 -1.140 1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 54.960 0.283 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 54.770 -0.138 0.189 1.00 0.00 H new ATOM 1100 N GLY A 71 57.526 7.083 -0.321 1.00 0.00 N ATOM 1101 CA GLY A 71 57.201 8.485 -0.485 1.00 0.00 C ATOM 1102 C GLY A 71 58.031 9.358 0.429 1.00 0.00 C ATOM 1103 O GLY A 71 57.707 10.522 0.660 1.00 0.00 O ATOM 0 H GLY A 71 57.140 6.649 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 71 57.368 8.779 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 71 56.143 8.641 -0.276 1.00 0.00 H new ATOM 1107 N GLY A 72 59.110 8.787 0.947 1.00 0.00 N ATOM 1108 CA GLY A 72 59.947 9.493 1.893 1.00 0.00 C ATOM 1109 C GLY A 72 59.363 9.452 3.289 1.00 0.00 C ATOM 1110 O GLY A 72 59.823 8.686 4.134 1.00 0.00 O ATOM 0 H GLY A 72 59.421 7.841 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 72 60.943 9.050 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 72 60.062 10.529 1.576 1.00 0.00 H new ATOM 1114 N LEU A 73 58.339 10.277 3.511 1.00 0.00 N ATOM 1115 CA LEU A 73 57.607 10.326 4.780 1.00 0.00 C ATOM 1116 C LEU A 73 58.478 10.862 5.915 1.00 0.00 C ATOM 1117 O LEU A 73 58.099 10.798 7.086 1.00 0.00 O ATOM 1118 CB LEU A 73 57.048 8.942 5.141 1.00 0.00 C ATOM 1119 CG LEU A 73 56.069 8.351 4.123 1.00 0.00 C ATOM 1120 CD1 LEU A 73 55.637 6.957 4.545 1.00 0.00 C ATOM 1121 CD2 LEU A 73 54.858 9.258 3.955 1.00 0.00 C ATOM 0 H LEU A 73 57.991 10.934 2.813 1.00 0.00 H new ATOM 0 HA LEU A 73 56.774 11.016 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 73 57.882 8.251 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.547 9.010 6.106 1.00 0.00 H new ATOM 0 HG LEU A 73 56.578 8.277 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 73 54.941 6.553 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 73 56.511 6.310 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 73 55.148 7.007 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 73 54.174 8.821 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 73 54.349 9.366 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 73 55.183 10.238 3.604 1.00 0.00 H new ATOM 1133 N ALA A 74 59.630 11.420 5.563 1.00 0.00 N ATOM 1134 CA ALA A 74 60.533 11.985 6.551 1.00 0.00 C ATOM 1135 C ALA A 74 60.061 13.374 6.952 1.00 0.00 C ATOM 1136 O ALA A 74 60.564 14.386 6.457 1.00 0.00 O ATOM 1137 CB ALA A 74 61.958 12.029 6.015 1.00 0.00 C ATOM 0 H ALA A 74 59.959 11.492 4.600 1.00 0.00 H new ATOM 0 HA ALA A 74 60.529 11.348 7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 74 62.618 12.455 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 74 62.288 11.018 5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 74 61.990 12.645 5.116 1.00 0.00 H new ATOM 1143 N TYR A 75 59.067 13.410 7.828 1.00 0.00 N ATOM 1144 CA TYR A 75 58.450 14.661 8.240 1.00 0.00 C ATOM 1145 C TYR A 75 57.581 14.438 9.476 1.00 0.00 C ATOM 1146 O TYR A 75 57.556 15.259 10.394 1.00 0.00 O ATOM 1147 CB TYR A 75 57.603 15.222 7.093 1.00 0.00 C ATOM 1148 CG TYR A 75 57.075 16.618 7.336 1.00 0.00 C ATOM 1149 CD1 TYR A 75 57.832 17.731 6.993 1.00 0.00 C ATOM 1150 CD2 TYR A 75 55.821 16.824 7.897 1.00 0.00 C ATOM 1151 CE1 TYR A 75 57.354 19.009 7.204 1.00 0.00 C ATOM 1152 CE2 TYR A 75 55.334 18.100 8.107 1.00 0.00 C ATOM 1153 CZ TYR A 75 56.104 19.189 7.760 1.00 0.00 C ATOM 1154 OH TYR A 75 55.618 20.465 7.962 1.00 0.00 O ATOM 0 H TYR A 75 58.669 12.581 8.269 1.00 0.00 H new ATOM 0 HA TYR A 75 59.232 15.378 8.489 1.00 0.00 H new ATOM 0 HB2 TYR A 75 58.202 15.226 6.182 1.00 0.00 H new ATOM 0 HB3 TYR A 75 56.761 14.553 6.918 1.00 0.00 H new ATOM 0 HD1 TYR A 75 58.810 17.595 6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 75 55.217 15.973 8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 75 57.956 19.864 6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 75 54.355 18.243 8.541 1.00 0.00 H new ATOM 0 HH TYR A 75 54.724 20.415 8.360 1.00 0.00 H new ATOM 1164 N VAL A 76 56.869 13.318 9.490 1.00 0.00 N ATOM 1165 CA VAL A 76 55.987 12.987 10.597 1.00 0.00 C ATOM 1166 C VAL A 76 56.567 11.839 11.411 1.00 0.00 C ATOM 1167 O VAL A 76 56.836 10.764 10.876 1.00 0.00 O ATOM 1168 CB VAL A 76 54.577 12.596 10.103 1.00 0.00 C ATOM 1169 CG1 VAL A 76 53.657 12.301 11.279 1.00 0.00 C ATOM 1170 CG2 VAL A 76 53.992 13.696 9.232 1.00 0.00 C ATOM 0 H VAL A 76 56.887 12.623 8.744 1.00 0.00 H new ATOM 0 HA VAL A 76 55.902 13.877 11.221 1.00 0.00 H new ATOM 0 HB VAL A 76 54.665 11.691 9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 76 52.669 12.028 10.908 1.00 0.00 H new ATOM 0 HG12 VAL A 76 54.066 11.477 11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 76 53.576 13.187 11.909 1.00 0.00 H new ATOM 0 HG21 VAL A 76 52.998 13.402 8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 76 53.921 14.618 9.809 1.00 0.00 H new ATOM 0 HG23 VAL A 76 54.637 13.858 8.368 1.00 0.00 H new ATOM 1180 N LEU A 77 56.771 12.075 12.698 1.00 0.00 N ATOM 1181 CA LEU A 77 57.269 11.040 13.591 1.00 0.00 C ATOM 1182 C LEU A 77 56.095 10.394 14.314 1.00 0.00 C ATOM 1183 O LEU A 77 55.680 9.281 13.987 1.00 0.00 O ATOM 1184 CB LEU A 77 58.271 11.616 14.607 1.00 0.00 C ATOM 1185 CG LEU A 77 59.585 12.161 14.025 1.00 0.00 C ATOM 1186 CD1 LEU A 77 59.373 13.514 13.360 1.00 0.00 C ATOM 1187 CD2 LEU A 77 60.642 12.264 15.114 1.00 0.00 C ATOM 0 H LEU A 77 56.599 12.974 13.148 1.00 0.00 H new ATOM 0 HA LEU A 77 57.793 10.290 13.000 1.00 0.00 H new ATOM 0 HB2 LEU A 77 57.780 12.419 15.156 1.00 0.00 H new ATOM 0 HB3 LEU A 77 58.513 10.837 15.330 1.00 0.00 H new ATOM 0 HG LEU A 77 59.932 11.463 13.263 1.00 0.00 H new ATOM 0 HD11 LEU A 77 60.320 13.874 12.958 1.00 0.00 H new ATOM 0 HD12 LEU A 77 58.650 13.412 12.551 1.00 0.00 H new ATOM 0 HD13 LEU A 77 58.997 14.226 14.095 1.00 0.00 H new ATOM 0 HD21 LEU A 77 61.567 12.651 14.687 1.00 0.00 H new ATOM 0 HD22 LEU A 77 60.293 12.938 15.897 1.00 0.00 H new ATOM 0 HD23 LEU A 77 60.824 11.277 15.539 1.00 0.00 H new ATOM 1199 N GLU A 78 55.542 11.111 15.280 1.00 0.00 N ATOM 1200 CA GLU A 78 54.365 10.647 15.994 1.00 0.00 C ATOM 1201 C GLU A 78 53.316 11.749 16.091 1.00 0.00 C ATOM 1202 O GLU A 78 53.247 12.492 17.069 1.00 0.00 O ATOM 1203 CB GLU A 78 54.733 10.094 17.381 1.00 0.00 C ATOM 1204 CG GLU A 78 56.006 10.678 17.988 1.00 0.00 C ATOM 1205 CD GLU A 78 55.881 12.139 18.362 1.00 0.00 C ATOM 1206 OE1 GLU A 78 55.413 12.433 19.482 1.00 0.00 O ATOM 1207 OE2 GLU A 78 56.266 13.003 17.545 1.00 0.00 O ATOM 0 H GLU A 78 55.891 12.019 15.587 1.00 0.00 H new ATOM 0 HA GLU A 78 53.930 9.826 15.424 1.00 0.00 H new ATOM 0 HB2 GLU A 78 53.903 10.282 18.063 1.00 0.00 H new ATOM 0 HB3 GLU A 78 54.846 9.012 17.307 1.00 0.00 H new ATOM 0 HG2 GLU A 78 56.271 10.105 18.877 1.00 0.00 H new ATOM 0 HG3 GLU A 78 56.824 10.562 17.278 1.00 0.00 H new ATOM 1214 N HIS A 79 52.516 11.867 15.044 1.00 0.00 N ATOM 1215 CA HIS A 79 51.441 12.843 15.007 1.00 0.00 C ATOM 1216 C HIS A 79 50.122 12.110 14.811 1.00 0.00 C ATOM 1217 O HIS A 79 49.885 11.521 13.756 1.00 0.00 O ATOM 1218 CB HIS A 79 51.675 13.857 13.880 1.00 0.00 C ATOM 1219 CG HIS A 79 50.886 15.124 14.021 1.00 0.00 C ATOM 1220 ND1 HIS A 79 51.447 16.306 14.450 1.00 0.00 N ATOM 1221 CD2 HIS A 79 49.584 15.399 13.771 1.00 0.00 C ATOM 1222 CE1 HIS A 79 50.527 17.248 14.461 1.00 0.00 C ATOM 1223 NE2 HIS A 79 49.388 16.728 14.053 1.00 0.00 N ATOM 0 H HIS A 79 52.592 11.294 14.203 1.00 0.00 H new ATOM 0 HA HIS A 79 51.412 13.395 15.946 1.00 0.00 H new ATOM 0 HB2 HIS A 79 52.736 14.105 13.844 1.00 0.00 H new ATOM 0 HB3 HIS A 79 51.424 13.390 12.928 1.00 0.00 H new ATOM 0 HD2 HIS A 79 48.839 14.703 13.416 1.00 0.00 H new ATOM 0 HE1 HIS A 79 50.681 18.276 14.755 1.00 0.00 H new ATOM 0 HE2 HIS A 79 48.505 17.230 13.962 1.00 0.00 H new ATOM 1232 N HIS A 80 49.275 12.147 15.832 1.00 0.00 N ATOM 1233 CA HIS A 80 48.068 11.327 15.867 1.00 0.00 C ATOM 1234 C HIS A 80 47.131 11.663 14.708 1.00 0.00 C ATOM 1235 O HIS A 80 46.748 10.774 13.949 1.00 0.00 O ATOM 1236 CB HIS A 80 47.343 11.498 17.204 1.00 0.00 C ATOM 1237 CG HIS A 80 46.284 10.465 17.450 1.00 0.00 C ATOM 1238 ND1 HIS A 80 44.963 10.775 17.688 1.00 0.00 N ATOM 1239 CD2 HIS A 80 46.364 9.113 17.499 1.00 0.00 C ATOM 1240 CE1 HIS A 80 44.280 9.661 17.875 1.00 0.00 C ATOM 1241 NE2 HIS A 80 45.105 8.639 17.764 1.00 0.00 N ATOM 0 H HIS A 80 49.402 12.740 16.652 1.00 0.00 H new ATOM 0 HA HIS A 80 48.371 10.285 15.761 1.00 0.00 H new ATOM 0 HB2 HIS A 80 48.074 11.456 18.012 1.00 0.00 H new ATOM 0 HB3 HIS A 80 46.888 12.488 17.237 1.00 0.00 H new ATOM 0 HD2 HIS A 80 47.255 8.519 17.356 1.00 0.00 H new ATOM 0 HE1 HIS A 80 43.222 9.598 18.084 1.00 0.00 H new ATOM 0 HE2 HIS A 80 44.849 7.656 17.860 1.00 0.00 H new ATOM 1250 N HIS A 81 46.778 12.944 14.578 1.00 0.00 N ATOM 1251 CA HIS A 81 45.911 13.411 13.493 1.00 0.00 C ATOM 1252 C HIS A 81 44.541 12.728 13.542 1.00 0.00 C ATOM 1253 O HIS A 81 44.325 11.691 12.917 1.00 0.00 O ATOM 1254 CB HIS A 81 46.590 13.175 12.129 1.00 0.00 C ATOM 1255 CG HIS A 81 45.754 13.535 10.931 1.00 0.00 C ATOM 1256 ND1 HIS A 81 45.049 12.600 10.203 1.00 0.00 N ATOM 1257 CD2 HIS A 81 45.527 14.724 10.326 1.00 0.00 C ATOM 1258 CE1 HIS A 81 44.431 13.195 9.202 1.00 0.00 C ATOM 1259 NE2 HIS A 81 44.703 14.483 9.256 1.00 0.00 N ATOM 0 H HIS A 81 47.081 13.681 15.215 1.00 0.00 H new ATOM 0 HA HIS A 81 45.751 14.481 13.624 1.00 0.00 H new ATOM 0 HB2 HIS A 81 47.514 13.753 12.095 1.00 0.00 H new ATOM 0 HB3 HIS A 81 46.869 12.124 12.056 1.00 0.00 H new ATOM 0 HD2 HIS A 81 45.921 15.683 10.629 1.00 0.00 H new ATOM 0 HE1 HIS A 81 43.809 12.710 8.464 1.00 0.00 H new ATOM 0 HE2 HIS A 81 44.356 15.188 8.606 1.00 0.00 H new ATOM 1268 N HIS A 82 43.621 13.299 14.302 1.00 0.00 N ATOM 1269 CA HIS A 82 42.267 12.768 14.358 1.00 0.00 C ATOM 1270 C HIS A 82 41.250 13.892 14.209 1.00 0.00 C ATOM 1271 O HIS A 82 40.702 14.389 15.188 1.00 0.00 O ATOM 1272 CB HIS A 82 42.024 11.989 15.656 1.00 0.00 C ATOM 1273 CG HIS A 82 40.726 11.229 15.669 1.00 0.00 C ATOM 1274 ND1 HIS A 82 40.628 9.906 15.304 1.00 0.00 N ATOM 1275 CD2 HIS A 82 39.470 11.617 15.998 1.00 0.00 C ATOM 1276 CE1 HIS A 82 39.374 9.513 15.407 1.00 0.00 C ATOM 1277 NE2 HIS A 82 38.647 10.532 15.825 1.00 0.00 N ATOM 0 H HIS A 82 43.783 14.121 14.883 1.00 0.00 H new ATOM 0 HA HIS A 82 42.145 12.073 13.527 1.00 0.00 H new ATOM 0 HB2 HIS A 82 42.846 11.290 15.809 1.00 0.00 H new ATOM 0 HB3 HIS A 82 42.036 12.685 16.495 1.00 0.00 H new ATOM 0 HD2 HIS A 82 39.171 12.599 16.334 1.00 0.00 H new ATOM 0 HE1 HIS A 82 39.004 8.523 15.186 1.00 0.00 H new ATOM 0 HE2 HIS A 82 37.641 10.516 15.992 1.00 0.00 H new ATOM 1286 N HIS A 83 41.053 14.316 12.974 1.00 0.00 N ATOM 1287 CA HIS A 83 40.029 15.297 12.640 1.00 0.00 C ATOM 1288 C HIS A 83 39.313 14.844 11.381 1.00 0.00 C ATOM 1289 O HIS A 83 38.168 14.404 11.427 1.00 0.00 O ATOM 1290 CB HIS A 83 40.633 16.694 12.427 1.00 0.00 C ATOM 1291 CG HIS A 83 40.880 17.471 13.685 1.00 0.00 C ATOM 1292 ND1 HIS A 83 40.229 18.651 13.972 1.00 0.00 N ATOM 1293 CD2 HIS A 83 41.723 17.251 14.723 1.00 0.00 C ATOM 1294 CE1 HIS A 83 40.658 19.120 15.128 1.00 0.00 C ATOM 1295 NE2 HIS A 83 41.564 18.290 15.602 1.00 0.00 N ATOM 0 H HIS A 83 41.596 13.992 12.173 1.00 0.00 H new ATOM 0 HA HIS A 83 39.327 15.368 13.471 1.00 0.00 H new ATOM 0 HB2 HIS A 83 41.576 16.589 11.891 1.00 0.00 H new ATOM 0 HB3 HIS A 83 39.965 17.270 11.787 1.00 0.00 H new ATOM 0 HD2 HIS A 83 42.395 16.413 14.836 1.00 0.00 H new ATOM 0 HE1 HIS A 83 40.323 20.030 15.604 1.00 0.00 H new ATOM 0 HE2 HIS A 83 42.067 18.403 16.482 1.00 0.00 H new ATOM 1304 N HIS A 84 40.014 14.941 10.262 1.00 0.00 N ATOM 1305 CA HIS A 84 39.520 14.455 8.983 1.00 0.00 C ATOM 1306 C HIS A 84 40.651 14.500 7.960 1.00 0.00 C ATOM 1307 O HIS A 84 41.118 13.429 7.547 1.00 0.00 O ATOM 1308 CB HIS A 84 38.290 15.253 8.500 1.00 0.00 C ATOM 1309 CG HIS A 84 38.540 16.702 8.218 1.00 0.00 C ATOM 1310 ND1 HIS A 84 38.481 17.235 6.953 1.00 0.00 N ATOM 1311 CD2 HIS A 84 38.838 17.730 9.044 1.00 0.00 C ATOM 1312 CE1 HIS A 84 38.735 18.526 7.008 1.00 0.00 C ATOM 1313 NE2 HIS A 84 38.954 18.853 8.267 1.00 0.00 N ATOM 1314 OXT HIS A 84 41.118 15.613 7.628 1.00 0.00 O ATOM 0 H HIS A 84 40.943 15.360 10.215 1.00 0.00 H new ATOM 0 HA HIS A 84 39.187 13.424 9.105 1.00 0.00 H new ATOM 0 HB2 HIS A 84 37.906 14.784 7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 84 37.508 15.176 9.255 1.00 0.00 H new ATOM 0 HD2 HIS A 84 38.962 17.676 10.116 1.00 0.00 H new ATOM 0 HE1 HIS A 84 38.760 19.202 6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 84 39.174 19.789 8.607 1.00 0.00 H new TER 1323 HIS A 84