USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 1 GLY N :NH3+ -122:sc= 0.0735 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 12:sc= 1.17 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 137:sc= -0.478 (180deg=-2.97!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.364) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.174 F(o=-2.1!,f=-0.17) USER MOD Single : A 22 THR OG1 : rot 59:sc= -0.582 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 98:sc= 0.755 USER MOD Single : A 26 SER OG : rot 64:sc= 0.52 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc=-0.00873 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc=-0.00658 X(o=-0.0066,f=0) USER MOD Single : A 51 THR OG1 : rot -174:sc= -0.362 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.85 F(o=-2,f=-0.85) USER MOD Single : A 69 GLN : amide:sc= -0.0575 K(o=-0.058,f=-1.4!) USER MOD Single : A 75 MET CE :methyl -117:sc= -4.81! (180deg=-9.52!) USER MOD Single : A 88 GLN : amide:sc= -0.0815 K(o=-0.081,f=-0.77) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.984 25.240 -7.112 1.00 0.00 N ATOM 2 CA GLY A 1 0.064 26.123 -7.590 1.00 0.00 C ATOM 3 C GLY A 1 -0.199 26.628 -8.994 1.00 0.00 C ATOM 4 O GLY A 1 -1.304 26.483 -9.517 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.390 25.626 -6.236 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.728 25.162 -7.834 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.585 24.298 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.156 26.972 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.017 25.595 -7.570 1.00 0.00 H new ATOM 8 N SER A 2 0.818 27.226 -9.607 1.00 0.00 N ATOM 9 CA SER A 2 0.690 27.760 -10.958 1.00 0.00 C ATOM 10 C SER A 2 0.777 26.643 -11.994 1.00 0.00 C ATOM 11 O SER A 2 0.997 25.481 -11.653 1.00 0.00 O ATOM 12 CB SER A 2 1.779 28.802 -11.222 1.00 0.00 C ATOM 13 OG SER A 2 1.700 29.869 -10.293 1.00 0.00 O ATOM 0 H SER A 2 1.740 27.353 -9.189 1.00 0.00 H new ATOM 0 HA SER A 2 -0.287 28.236 -11.043 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.760 28.332 -11.158 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.677 29.190 -12.236 1.00 0.00 H new ATOM 0 HG SER A 2 2.407 30.520 -10.482 1.00 0.00 H new ATOM 19 N SER A 3 0.601 27.005 -13.261 1.00 0.00 N ATOM 20 CA SER A 3 0.655 26.035 -14.348 1.00 0.00 C ATOM 21 C SER A 3 2.089 25.837 -14.829 1.00 0.00 C ATOM 22 O SER A 3 2.699 26.748 -15.388 1.00 0.00 O ATOM 23 CB SER A 3 -0.227 26.491 -15.511 1.00 0.00 C ATOM 24 OG SER A 3 -1.597 26.472 -15.150 1.00 0.00 O ATOM 0 H SER A 3 0.420 27.963 -13.560 1.00 0.00 H new ATOM 0 HA SER A 3 0.282 25.083 -13.971 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.058 27.498 -15.815 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.065 25.841 -16.371 1.00 0.00 H new ATOM 0 HG SER A 3 -2.140 26.769 -15.910 1.00 0.00 H new ATOM 30 N GLY A 4 2.622 24.639 -14.607 1.00 0.00 N ATOM 31 CA GLY A 4 3.980 24.343 -15.023 1.00 0.00 C ATOM 32 C GLY A 4 4.977 24.478 -13.889 1.00 0.00 C ATOM 33 O GLY A 4 5.027 25.508 -13.217 1.00 0.00 O ATOM 0 H GLY A 4 2.137 23.869 -14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.022 23.329 -15.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.263 25.015 -15.833 1.00 0.00 H new ATOM 37 N SER A 5 5.772 23.434 -13.675 1.00 0.00 N ATOM 38 CA SER A 5 6.769 23.439 -12.611 1.00 0.00 C ATOM 39 C SER A 5 7.717 22.252 -12.750 1.00 0.00 C ATOM 40 O SER A 5 7.320 21.101 -12.567 1.00 0.00 O ATOM 41 CB SER A 5 6.085 23.402 -11.242 1.00 0.00 C ATOM 42 OG SER A 5 5.625 24.689 -10.867 1.00 0.00 O ATOM 0 H SER A 5 5.745 22.575 -14.224 1.00 0.00 H new ATOM 0 HA SER A 5 7.350 24.358 -12.695 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.246 22.706 -11.270 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.784 23.029 -10.493 1.00 0.00 H new ATOM 0 HG SER A 5 5.674 25.291 -11.638 1.00 0.00 H new ATOM 48 N SER A 6 8.973 22.541 -13.074 1.00 0.00 N ATOM 49 CA SER A 6 9.979 21.499 -13.242 1.00 0.00 C ATOM 50 C SER A 6 11.177 21.747 -12.329 1.00 0.00 C ATOM 51 O SER A 6 11.601 22.887 -12.139 1.00 0.00 O ATOM 52 CB SER A 6 10.439 21.434 -14.699 1.00 0.00 C ATOM 53 OG SER A 6 10.993 20.166 -15.003 1.00 0.00 O ATOM 0 H SER A 6 9.318 23.489 -13.226 1.00 0.00 H new ATOM 0 HA SER A 6 9.527 20.546 -12.968 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.595 21.633 -15.359 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.180 22.212 -14.885 1.00 0.00 H new ATOM 0 HG SER A 6 11.278 20.150 -15.941 1.00 0.00 H new ATOM 59 N GLY A 7 11.717 20.671 -11.767 1.00 0.00 N ATOM 60 CA GLY A 7 12.860 20.792 -10.881 1.00 0.00 C ATOM 61 C GLY A 7 13.452 19.447 -10.511 1.00 0.00 C ATOM 62 O GLY A 7 12.745 18.447 -10.382 1.00 0.00 O ATOM 0 H GLY A 7 11.384 19.717 -11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.625 21.402 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.558 21.315 -9.973 1.00 0.00 H new ATOM 66 N PRO A 8 14.782 19.409 -10.335 1.00 0.00 N ATOM 67 CA PRO A 8 15.498 18.181 -9.976 1.00 0.00 C ATOM 68 C PRO A 8 15.357 17.839 -8.497 1.00 0.00 C ATOM 69 O PRO A 8 15.407 16.670 -8.112 1.00 0.00 O ATOM 70 CB PRO A 8 16.955 18.509 -10.313 1.00 0.00 C ATOM 71 CG PRO A 8 17.053 19.988 -10.166 1.00 0.00 C ATOM 72 CD PRO A 8 15.687 20.561 -10.472 1.00 0.00 C ATOM 0 HA PRO A 8 15.109 17.312 -10.506 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.642 17.998 -9.639 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.208 18.194 -11.325 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.364 20.254 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.801 20.393 -10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.424 21.360 -9.779 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.647 20.984 -11.476 1.00 0.00 H new ATOM 80 N ASP A 9 15.181 18.865 -7.671 1.00 0.00 N ATOM 81 CA ASP A 9 15.031 18.672 -6.234 1.00 0.00 C ATOM 82 C ASP A 9 13.634 18.162 -5.896 1.00 0.00 C ATOM 83 O ASP A 9 12.631 18.752 -6.300 1.00 0.00 O ATOM 84 CB ASP A 9 15.302 19.982 -5.491 1.00 0.00 C ATOM 85 CG ASP A 9 14.692 21.181 -6.191 1.00 0.00 C ATOM 86 OD1 ASP A 9 15.191 21.553 -7.274 1.00 0.00 O ATOM 87 OD2 ASP A 9 13.716 21.746 -5.656 1.00 0.00 O ATOM 0 H ASP A 9 15.139 19.839 -7.972 1.00 0.00 H new ATOM 0 HA ASP A 9 15.758 17.925 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.901 19.912 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 9 16.378 20.128 -5.398 1.00 0.00 H new ATOM 92 N VAL A 10 13.575 17.060 -5.154 1.00 0.00 N ATOM 93 CA VAL A 10 12.300 16.470 -4.763 1.00 0.00 C ATOM 94 C VAL A 10 11.380 17.513 -4.138 1.00 0.00 C ATOM 95 O VAL A 10 11.409 17.736 -2.928 1.00 0.00 O ATOM 96 CB VAL A 10 12.501 15.314 -3.764 1.00 0.00 C ATOM 97 CG1 VAL A 10 11.160 14.829 -3.232 1.00 0.00 C ATOM 98 CG2 VAL A 10 13.269 14.175 -4.416 1.00 0.00 C ATOM 0 H VAL A 10 14.395 16.558 -4.812 1.00 0.00 H new ATOM 0 HA VAL A 10 11.839 16.081 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 10 13.087 15.682 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.322 14.013 -2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.651 15.649 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.546 14.477 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.402 13.367 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.711 13.806 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.245 14.534 -4.743 1.00 0.00 H new ATOM 108 N ASP A 11 10.564 18.149 -4.972 1.00 0.00 N ATOM 109 CA ASP A 11 9.633 19.168 -4.502 1.00 0.00 C ATOM 110 C ASP A 11 8.541 18.548 -3.636 1.00 0.00 C ATOM 111 O ASP A 11 8.421 18.861 -2.452 1.00 0.00 O ATOM 112 CB ASP A 11 9.006 19.902 -5.688 1.00 0.00 C ATOM 113 CG ASP A 11 8.609 18.960 -6.807 1.00 0.00 C ATOM 114 OD1 ASP A 11 9.510 18.469 -7.519 1.00 0.00 O ATOM 115 OD2 ASP A 11 7.396 18.712 -6.971 1.00 0.00 O ATOM 0 H ASP A 11 10.529 17.977 -5.977 1.00 0.00 H new ATOM 0 HA ASP A 11 10.190 19.883 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.127 20.450 -5.349 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.713 20.639 -6.070 1.00 0.00 H new ATOM 120 N GLY A 12 7.746 17.667 -4.235 1.00 0.00 N ATOM 121 CA GLY A 12 6.673 17.018 -3.504 1.00 0.00 C ATOM 122 C GLY A 12 6.083 15.845 -4.260 1.00 0.00 C ATOM 123 O GLY A 12 4.888 15.825 -4.554 1.00 0.00 O ATOM 0 H GLY A 12 7.826 17.391 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.050 16.673 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.887 17.745 -3.297 1.00 0.00 H new ATOM 127 N MET A 13 6.923 14.865 -4.578 1.00 0.00 N ATOM 128 CA MET A 13 6.477 13.682 -5.305 1.00 0.00 C ATOM 129 C MET A 13 5.155 13.165 -4.745 1.00 0.00 C ATOM 130 O MET A 13 4.770 13.506 -3.626 1.00 0.00 O ATOM 131 CB MET A 13 7.539 12.583 -5.235 1.00 0.00 C ATOM 132 CG MET A 13 8.899 13.018 -5.755 1.00 0.00 C ATOM 133 SD MET A 13 10.258 12.123 -4.980 1.00 0.00 S ATOM 134 CE MET A 13 10.868 11.167 -6.366 1.00 0.00 C ATOM 0 H MET A 13 7.916 14.867 -4.344 1.00 0.00 H new ATOM 0 HA MET A 13 6.324 13.963 -6.347 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.643 12.255 -4.201 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.198 11.722 -5.810 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.937 12.865 -6.834 1.00 0.00 H new ATOM 0 HG3 MET A 13 9.026 14.086 -5.580 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.958 11.191 -6.373 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.528 10.135 -6.274 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.490 11.592 -7.296 1.00 0.00 H new ATOM 144 N ILE A 14 4.466 12.343 -5.529 1.00 0.00 N ATOM 145 CA ILE A 14 3.189 11.780 -5.110 1.00 0.00 C ATOM 146 C ILE A 14 3.379 10.756 -3.996 1.00 0.00 C ATOM 147 O ILE A 14 4.216 9.858 -4.099 1.00 0.00 O ATOM 148 CB ILE A 14 2.455 11.111 -6.287 1.00 0.00 C ATOM 149 CG1 ILE A 14 2.217 12.124 -7.409 1.00 0.00 C ATOM 150 CG2 ILE A 14 1.138 10.512 -5.818 1.00 0.00 C ATOM 151 CD1 ILE A 14 1.295 13.257 -7.015 1.00 0.00 C ATOM 0 H ILE A 14 4.771 12.052 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 14 2.585 12.609 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 14 3.079 10.306 -6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.175 12.538 -7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.796 11.607 -8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.631 10.043 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.332 9.764 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.506 11.299 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.172 13.936 -7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.324 12.853 -6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.724 13.799 -6.172 1.00 0.00 H new ATOM 163 N THR A 15 2.596 10.895 -2.931 1.00 0.00 N ATOM 164 CA THR A 15 2.677 9.982 -1.798 1.00 0.00 C ATOM 165 C THR A 15 1.387 9.185 -1.641 1.00 0.00 C ATOM 166 O THR A 15 0.362 9.721 -1.215 1.00 0.00 O ATOM 167 CB THR A 15 2.963 10.737 -0.487 1.00 0.00 C ATOM 168 OG1 THR A 15 4.167 11.502 -0.615 1.00 0.00 O ATOM 169 CG2 THR A 15 3.094 9.769 0.679 1.00 0.00 C ATOM 0 H THR A 15 1.898 11.632 -2.830 1.00 0.00 H new ATOM 0 HA THR A 15 3.501 9.298 -2.002 1.00 0.00 H new ATOM 0 HB THR A 15 2.126 11.407 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.341 11.981 0.222 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.296 10.326 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.166 9.209 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.914 9.077 0.487 1.00 0.00 H new ATOM 177 N LEU A 16 1.442 7.904 -1.986 1.00 0.00 N ATOM 178 CA LEU A 16 0.277 7.032 -1.882 1.00 0.00 C ATOM 179 C LEU A 16 0.273 6.284 -0.552 1.00 0.00 C ATOM 180 O LEU A 16 1.242 5.610 -0.204 1.00 0.00 O ATOM 181 CB LEU A 16 0.257 6.034 -3.041 1.00 0.00 C ATOM 182 CG LEU A 16 -0.074 6.611 -4.418 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.359 5.653 -5.516 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.561 6.913 -4.526 1.00 0.00 C ATOM 0 H LEU A 16 2.281 7.445 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.617 7.654 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.233 5.552 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.470 5.255 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 16 0.475 7.544 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.115 6.080 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.434 5.488 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.162 4.703 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.778 7.323 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.130 5.995 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.841 7.638 -3.762 1.00 0.00 H new ATOM 196 N LYS A 17 -0.824 6.407 0.186 1.00 0.00 N ATOM 197 CA LYS A 17 -0.958 5.741 1.477 1.00 0.00 C ATOM 198 C LYS A 17 -1.800 4.475 1.351 1.00 0.00 C ATOM 199 O LYS A 17 -2.776 4.439 0.602 1.00 0.00 O ATOM 200 CB LYS A 17 -1.590 6.687 2.500 1.00 0.00 C ATOM 201 CG LYS A 17 -1.389 6.248 3.940 1.00 0.00 C ATOM 202 CD LYS A 17 -1.911 7.287 4.918 1.00 0.00 C ATOM 203 CE LYS A 17 -3.367 7.034 5.277 1.00 0.00 C ATOM 204 NZ LYS A 17 -4.297 7.751 4.361 1.00 0.00 N ATOM 0 H LYS A 17 -1.635 6.962 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 17 0.039 5.461 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.167 7.683 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.658 6.765 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.901 5.300 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.329 6.074 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.304 7.273 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.810 8.281 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.570 5.964 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.549 7.354 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.851 8.445 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.750 8.242 3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.941 7.067 3.915 1.00 0.00 H new ATOM 218 N VAL A 18 -1.417 3.439 2.090 1.00 0.00 N ATOM 219 CA VAL A 18 -2.138 2.173 2.064 1.00 0.00 C ATOM 220 C VAL A 18 -2.770 1.871 3.418 1.00 0.00 C ATOM 221 O VAL A 18 -2.242 2.258 4.461 1.00 0.00 O ATOM 222 CB VAL A 18 -1.211 1.007 1.671 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.992 -0.297 1.602 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.524 1.297 0.345 1.00 0.00 C ATOM 0 H VAL A 18 -0.611 3.452 2.715 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.923 2.272 1.315 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.443 0.902 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.320 -1.109 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.433 -0.509 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.783 -0.208 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.127 0.463 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.276 1.429 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.070 2.207 0.434 1.00 0.00 H new ATOM 234 N ASP A 19 -3.902 1.177 3.395 1.00 0.00 N ATOM 235 CA ASP A 19 -4.606 0.822 4.622 1.00 0.00 C ATOM 236 C ASP A 19 -5.011 -0.649 4.609 1.00 0.00 C ATOM 237 O ASP A 19 -5.039 -1.286 3.557 1.00 0.00 O ATOM 238 CB ASP A 19 -5.844 1.702 4.799 1.00 0.00 C ATOM 239 CG ASP A 19 -5.546 2.969 5.577 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.570 3.665 5.227 1.00 0.00 O ATOM 241 OD2 ASP A 19 -6.290 3.265 6.535 1.00 0.00 O ATOM 0 H ASP A 19 -4.352 0.849 2.540 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.929 0.988 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.242 1.966 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.618 1.135 5.316 1.00 0.00 H new ATOM 246 N ASN A 20 -5.322 -1.182 5.786 1.00 0.00 N ATOM 247 CA ASN A 20 -5.724 -2.579 5.911 1.00 0.00 C ATOM 248 C ASN A 20 -4.580 -3.510 5.523 1.00 0.00 C ATOM 249 O ASN A 20 -4.753 -4.420 4.711 1.00 0.00 O ATOM 250 CB ASN A 20 -6.945 -2.860 5.033 1.00 0.00 C ATOM 251 CG ASN A 20 -7.578 -4.204 5.336 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.583 -5.092 4.349 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -8.056 -4.442 6.446 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.303 -0.668 6.667 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.983 -2.765 6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.684 -2.072 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.650 -2.829 3.984 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.030 -3.730 7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.477 -5.351 6.636 1.00 0.00 H new ATOM 260 N LEU A 21 -3.410 -3.278 6.109 1.00 0.00 N ATOM 261 CA LEU A 21 -2.236 -4.096 5.826 1.00 0.00 C ATOM 262 C LEU A 21 -2.001 -5.114 6.937 1.00 0.00 C ATOM 263 O LEU A 21 -1.788 -4.749 8.094 1.00 0.00 O ATOM 264 CB LEU A 21 -1.001 -3.211 5.660 1.00 0.00 C ATOM 265 CG LEU A 21 -0.988 -2.299 4.432 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.195 -1.346 4.487 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.951 -3.125 3.155 1.00 0.00 C ATOM 0 H LEU A 21 -3.249 -2.530 6.783 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.416 -4.636 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.902 -2.590 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.121 -3.853 5.620 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.904 -1.708 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.187 -0.705 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.125 -0.730 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.122 -1.918 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.942 -2.460 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.053 -3.742 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.832 -3.766 3.110 1.00 0.00 H new ATOM 279 N THR A 22 -2.040 -6.394 6.579 1.00 0.00 N ATOM 280 CA THR A 22 -1.830 -7.464 7.546 1.00 0.00 C ATOM 281 C THR A 22 -0.369 -7.540 7.974 1.00 0.00 C ATOM 282 O THR A 22 0.504 -6.939 7.347 1.00 0.00 O ATOM 283 CB THR A 22 -2.256 -8.829 6.973 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.912 -9.874 7.890 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.588 -9.086 5.631 1.00 0.00 C ATOM 0 H THR A 22 -2.215 -6.714 5.627 1.00 0.00 H new ATOM 0 HA THR A 22 -2.448 -7.232 8.413 1.00 0.00 H new ATOM 0 HB THR A 22 -3.336 -8.815 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.360 -9.717 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.904 -10.056 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.875 -8.305 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.505 -9.081 5.757 1.00 0.00 H new ATOM 293 N TYR A 23 -0.109 -8.281 9.045 1.00 0.00 N ATOM 294 CA TYR A 23 1.247 -8.433 9.559 1.00 0.00 C ATOM 295 C TYR A 23 2.204 -8.864 8.451 1.00 0.00 C ATOM 296 O TYR A 23 3.326 -8.366 8.357 1.00 0.00 O ATOM 297 CB TYR A 23 1.273 -9.456 10.696 1.00 0.00 C ATOM 298 CG TYR A 23 0.520 -10.729 10.383 1.00 0.00 C ATOM 299 CD1 TYR A 23 -0.859 -10.800 10.538 1.00 0.00 C ATOM 300 CD2 TYR A 23 1.188 -11.860 9.930 1.00 0.00 C ATOM 301 CE1 TYR A 23 -1.550 -11.962 10.254 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.504 -13.025 9.641 1.00 0.00 C ATOM 303 CZ TYR A 23 -0.864 -13.072 9.805 1.00 0.00 C ATOM 304 OH TYR A 23 -1.550 -14.230 9.519 1.00 0.00 O ATOM 0 H TYR A 23 -0.820 -8.786 9.574 1.00 0.00 H new ATOM 0 HA TYR A 23 1.573 -7.466 9.942 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.309 -9.704 10.927 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.847 -9.003 11.591 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.400 -9.932 10.886 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.260 -11.828 9.802 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.622 -12.002 10.383 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.038 -13.895 9.288 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.921 -14.916 9.213 1.00 0.00 H new ATOM 314 N ARG A 24 1.751 -9.791 7.614 1.00 0.00 N ATOM 315 CA ARG A 24 2.565 -10.290 6.513 1.00 0.00 C ATOM 316 C ARG A 24 3.140 -9.137 5.696 1.00 0.00 C ATOM 317 O ARG A 24 4.317 -9.144 5.333 1.00 0.00 O ATOM 318 CB ARG A 24 1.735 -11.205 5.610 1.00 0.00 C ATOM 319 CG ARG A 24 1.204 -12.440 6.318 1.00 0.00 C ATOM 320 CD ARG A 24 2.319 -13.425 6.633 1.00 0.00 C ATOM 321 NE ARG A 24 1.801 -14.706 7.105 1.00 0.00 N ATOM 322 CZ ARG A 24 2.549 -15.625 7.705 1.00 0.00 C ATOM 323 NH1 ARG A 24 3.841 -15.405 7.906 1.00 0.00 N ATOM 324 NH2 ARG A 24 2.005 -16.767 8.107 1.00 0.00 N ATOM 0 H ARG A 24 0.824 -10.212 7.678 1.00 0.00 H new ATOM 0 HA ARG A 24 3.392 -10.861 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.896 -10.639 5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.346 -11.517 4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.706 -12.145 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.455 -12.925 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.924 -13.585 5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.976 -12.998 7.391 1.00 0.00 H new ATOM 0 HE ARG A 24 0.810 -14.906 6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.263 -14.528 7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.413 -16.112 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.011 -16.940 7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.581 -17.472 8.568 1.00 0.00 H new ATOM 338 N THR A 25 2.301 -8.146 5.409 1.00 0.00 N ATOM 339 CA THR A 25 2.725 -6.987 4.633 1.00 0.00 C ATOM 340 C THR A 25 4.166 -6.608 4.953 1.00 0.00 C ATOM 341 O THR A 25 4.511 -6.360 6.108 1.00 0.00 O ATOM 342 CB THR A 25 1.816 -5.772 4.898 1.00 0.00 C ATOM 343 OG1 THR A 25 0.444 -6.182 4.923 1.00 0.00 O ATOM 344 CG2 THR A 25 2.013 -4.706 3.830 1.00 0.00 C ATOM 0 H THR A 25 1.324 -8.123 5.702 1.00 0.00 H new ATOM 0 HA THR A 25 2.651 -7.266 3.582 1.00 0.00 H new ATOM 0 HB THR A 25 2.085 -5.349 5.866 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.156 -6.304 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.361 -3.858 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.051 -4.375 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.768 -5.121 2.852 1.00 0.00 H new ATOM 352 N SER A 26 5.005 -6.565 3.922 1.00 0.00 N ATOM 353 CA SER A 26 6.411 -6.220 4.095 1.00 0.00 C ATOM 354 C SER A 26 6.854 -5.207 3.043 1.00 0.00 C ATOM 355 O SER A 26 6.284 -5.113 1.956 1.00 0.00 O ATOM 356 CB SER A 26 7.281 -7.475 4.009 1.00 0.00 C ATOM 357 OG SER A 26 7.165 -8.257 5.185 1.00 0.00 O ATOM 0 H SER A 26 4.735 -6.765 2.959 1.00 0.00 H new ATOM 0 HA SER A 26 6.531 -5.771 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.985 -8.068 3.144 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.322 -7.190 3.859 1.00 0.00 H new ATOM 0 HG SER A 26 6.245 -8.585 5.270 1.00 0.00 H new ATOM 363 N PRO A 27 7.897 -4.431 3.373 1.00 0.00 N ATOM 364 CA PRO A 27 8.441 -3.411 2.471 1.00 0.00 C ATOM 365 C PRO A 27 8.611 -3.928 1.047 1.00 0.00 C ATOM 366 O PRO A 27 8.232 -3.260 0.084 1.00 0.00 O ATOM 367 CB PRO A 27 9.804 -3.084 3.087 1.00 0.00 C ATOM 368 CG PRO A 27 9.642 -3.374 4.539 1.00 0.00 C ATOM 369 CD PRO A 27 8.625 -4.489 4.651 1.00 0.00 C ATOM 0 HA PRO A 27 7.779 -2.549 2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.594 -3.693 2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.075 -2.042 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.592 -3.672 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.304 -2.487 5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.106 -5.457 4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.957 -4.337 5.499 1.00 0.00 H new ATOM 377 N ASP A 28 9.182 -5.121 0.919 1.00 0.00 N ATOM 378 CA ASP A 28 9.401 -5.729 -0.388 1.00 0.00 C ATOM 379 C ASP A 28 8.084 -5.884 -1.142 1.00 0.00 C ATOM 380 O ASP A 28 7.960 -5.458 -2.290 1.00 0.00 O ATOM 381 CB ASP A 28 10.079 -7.091 -0.234 1.00 0.00 C ATOM 382 CG ASP A 28 9.476 -7.914 0.887 1.00 0.00 C ATOM 383 OD1 ASP A 28 9.682 -7.552 2.064 1.00 0.00 O ATOM 384 OD2 ASP A 28 8.800 -8.921 0.587 1.00 0.00 O ATOM 0 H ASP A 28 9.502 -5.686 1.705 1.00 0.00 H new ATOM 0 HA ASP A 28 10.053 -5.071 -0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.997 -7.643 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.142 -6.945 -0.042 1.00 0.00 H new ATOM 389 N SER A 29 7.103 -6.499 -0.489 1.00 0.00 N ATOM 390 CA SER A 29 5.797 -6.716 -1.099 1.00 0.00 C ATOM 391 C SER A 29 5.109 -5.387 -1.398 1.00 0.00 C ATOM 392 O SER A 29 4.785 -5.087 -2.548 1.00 0.00 O ATOM 393 CB SER A 29 4.915 -7.564 -0.180 1.00 0.00 C ATOM 394 OG SER A 29 5.481 -8.846 0.030 1.00 0.00 O ATOM 0 H SER A 29 7.188 -6.856 0.463 1.00 0.00 H new ATOM 0 HA SER A 29 5.947 -7.248 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.789 -7.058 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.923 -7.669 -0.618 1.00 0.00 H new ATOM 0 HG SER A 29 4.899 -9.367 0.622 1.00 0.00 H new ATOM 400 N LEU A 30 4.890 -4.594 -0.355 1.00 0.00 N ATOM 401 CA LEU A 30 4.242 -3.296 -0.504 1.00 0.00 C ATOM 402 C LEU A 30 4.843 -2.517 -1.669 1.00 0.00 C ATOM 403 O LEU A 30 4.144 -1.773 -2.358 1.00 0.00 O ATOM 404 CB LEU A 30 4.374 -2.487 0.788 1.00 0.00 C ATOM 405 CG LEU A 30 3.719 -1.105 0.784 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.216 -1.227 0.588 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.032 -0.363 2.075 1.00 0.00 C ATOM 0 H LEU A 30 5.152 -4.827 0.603 1.00 0.00 H new ATOM 0 HA LEU A 30 3.186 -3.467 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.943 -3.069 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.434 -2.364 1.009 1.00 0.00 H new ATOM 0 HG LEU A 30 4.128 -0.533 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.767 -0.234 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.012 -1.717 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.790 -1.817 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.558 0.618 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.652 -0.932 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.111 -0.243 2.173 1.00 0.00 H new ATOM 419 N ARG A 31 6.142 -2.695 -1.885 1.00 0.00 N ATOM 420 CA ARG A 31 6.837 -2.010 -2.968 1.00 0.00 C ATOM 421 C ARG A 31 6.421 -2.572 -4.324 1.00 0.00 C ATOM 422 O ARG A 31 5.979 -1.834 -5.205 1.00 0.00 O ATOM 423 CB ARG A 31 8.351 -2.140 -2.794 1.00 0.00 C ATOM 424 CG ARG A 31 9.148 -1.623 -3.981 1.00 0.00 C ATOM 425 CD ARG A 31 10.478 -2.348 -4.117 1.00 0.00 C ATOM 426 NE ARG A 31 10.302 -3.747 -4.500 1.00 0.00 N ATOM 427 CZ ARG A 31 11.313 -4.580 -4.721 1.00 0.00 C ATOM 428 NH1 ARG A 31 12.564 -4.158 -4.599 1.00 0.00 N ATOM 429 NH2 ARG A 31 11.073 -5.839 -5.066 1.00 0.00 N ATOM 0 H ARG A 31 6.734 -3.308 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 31 6.562 -0.956 -2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.653 -1.595 -1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.600 -3.188 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.567 -1.751 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.325 -0.554 -3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.092 -1.843 -4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.018 -2.296 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 31 9.352 -4.103 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.753 -3.191 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.338 -4.800 -4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.112 -6.167 -5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.850 -6.478 -5.236 1.00 0.00 H new ATOM 443 N ARG A 32 6.564 -3.884 -4.484 1.00 0.00 N ATOM 444 CA ARG A 32 6.205 -4.545 -5.732 1.00 0.00 C ATOM 445 C ARG A 32 4.774 -4.201 -6.138 1.00 0.00 C ATOM 446 O ARG A 32 4.452 -4.140 -7.324 1.00 0.00 O ATOM 447 CB ARG A 32 6.356 -6.061 -5.593 1.00 0.00 C ATOM 448 CG ARG A 32 6.285 -6.804 -6.917 1.00 0.00 C ATOM 449 CD ARG A 32 5.937 -8.271 -6.715 1.00 0.00 C ATOM 450 NE ARG A 32 4.644 -8.440 -6.057 1.00 0.00 N ATOM 451 CZ ARG A 32 4.291 -9.541 -5.403 1.00 0.00 C ATOM 452 NH1 ARG A 32 5.131 -10.564 -5.319 1.00 0.00 N ATOM 453 NH2 ARG A 32 3.097 -9.620 -4.830 1.00 0.00 N ATOM 0 H ARG A 32 6.926 -4.510 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 32 6.881 -4.189 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.310 -6.280 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.574 -6.437 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.538 -6.337 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.242 -6.724 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.921 -8.776 -7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.713 -8.749 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 32 3.976 -7.671 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.050 -10.506 -5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.858 -11.408 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.449 -8.835 -4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.827 -10.466 -4.328 1.00 0.00 H new ATOM 467 N VAL A 33 3.921 -3.978 -5.143 1.00 0.00 N ATOM 468 CA VAL A 33 2.525 -3.640 -5.396 1.00 0.00 C ATOM 469 C VAL A 33 2.408 -2.532 -6.437 1.00 0.00 C ATOM 470 O VAL A 33 1.631 -2.637 -7.386 1.00 0.00 O ATOM 471 CB VAL A 33 1.814 -3.193 -4.105 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.480 -2.537 -4.429 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.621 -4.375 -3.167 1.00 0.00 C ATOM 0 H VAL A 33 4.172 -4.025 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 33 2.044 -4.542 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 33 2.441 -2.457 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.008 -2.228 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.647 -1.664 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.157 -3.248 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.117 -4.041 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.015 -5.135 -3.660 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.592 -4.797 -2.908 1.00 0.00 H new ATOM 483 N PHE A 34 3.185 -1.470 -6.253 1.00 0.00 N ATOM 484 CA PHE A 34 3.168 -0.341 -7.176 1.00 0.00 C ATOM 485 C PHE A 34 4.344 -0.414 -8.145 1.00 0.00 C ATOM 486 O PHE A 34 4.331 0.217 -9.202 1.00 0.00 O ATOM 487 CB PHE A 34 3.211 0.978 -6.403 1.00 0.00 C ATOM 488 CG PHE A 34 2.313 0.997 -5.199 1.00 0.00 C ATOM 489 CD1 PHE A 34 0.946 0.819 -5.334 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.837 1.192 -3.931 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.118 0.835 -4.228 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.014 1.209 -2.821 1.00 0.00 C ATOM 493 CZ PHE A 34 0.652 1.031 -2.970 1.00 0.00 C ATOM 0 H PHE A 34 3.834 -1.367 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 34 2.243 -0.387 -7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.236 1.170 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.927 1.791 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.522 0.666 -6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.901 1.332 -3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.946 0.694 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.435 1.361 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.006 1.045 -2.104 1.00 0.00 H new ATOM 503 N GLU A 35 5.360 -1.188 -7.777 1.00 0.00 N ATOM 504 CA GLU A 35 6.545 -1.342 -8.613 1.00 0.00 C ATOM 505 C GLU A 35 6.171 -1.871 -9.994 1.00 0.00 C ATOM 506 O GLU A 35 6.806 -1.535 -10.994 1.00 0.00 O ATOM 507 CB GLU A 35 7.547 -2.287 -7.947 1.00 0.00 C ATOM 508 CG GLU A 35 8.992 -2.003 -8.320 1.00 0.00 C ATOM 509 CD GLU A 35 9.275 -2.255 -9.789 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.170 -3.422 -10.221 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.603 -1.286 -10.505 1.00 0.00 O ATOM 0 H GLU A 35 5.386 -1.718 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 35 7.005 -0.361 -8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.439 -2.214 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.304 -3.313 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.228 -0.966 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.649 -2.627 -7.715 1.00 0.00 H new ATOM 518 N LYS A 36 5.135 -2.702 -10.042 1.00 0.00 N ATOM 519 CA LYS A 36 4.674 -3.278 -11.300 1.00 0.00 C ATOM 520 C LYS A 36 4.182 -2.191 -12.249 1.00 0.00 C ATOM 521 O LYS A 36 3.905 -2.454 -13.420 1.00 0.00 O ATOM 522 CB LYS A 36 3.554 -4.289 -11.041 1.00 0.00 C ATOM 523 CG LYS A 36 3.418 -5.339 -12.130 1.00 0.00 C ATOM 524 CD LYS A 36 1.994 -5.857 -12.231 1.00 0.00 C ATOM 525 CE LYS A 36 1.702 -6.421 -13.613 1.00 0.00 C ATOM 526 NZ LYS A 36 2.279 -7.782 -13.790 1.00 0.00 N ATOM 0 H LYS A 36 4.599 -2.992 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 36 5.516 -3.789 -11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.738 -4.787 -10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.609 -3.755 -10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.720 -4.913 -13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.094 -6.169 -11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.833 -6.630 -11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.296 -5.049 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.624 -6.461 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.109 -5.752 -14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.058 -8.131 -14.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.311 -7.740 -13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.872 -8.426 -13.083 1.00 0.00 H new ATOM 540 N TYR A 37 4.076 -0.969 -11.738 1.00 0.00 N ATOM 541 CA TYR A 37 3.617 0.158 -12.540 1.00 0.00 C ATOM 542 C TYR A 37 4.670 1.261 -12.584 1.00 0.00 C ATOM 543 O TYR A 37 5.247 1.543 -13.634 1.00 0.00 O ATOM 544 CB TYR A 37 2.307 0.711 -11.977 1.00 0.00 C ATOM 545 CG TYR A 37 1.242 -0.343 -11.775 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.526 -0.851 -12.851 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.952 -0.831 -10.506 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.449 -1.813 -12.671 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.020 -1.794 -10.316 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.718 -2.282 -11.401 1.00 0.00 C ATOM 551 OH TYR A 37 -1.687 -3.242 -11.217 1.00 0.00 O ATOM 0 H TYR A 37 4.302 -0.734 -10.771 1.00 0.00 H new ATOM 0 HA TYR A 37 3.447 -0.198 -13.556 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.509 1.199 -11.024 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.925 1.476 -12.653 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.735 -0.488 -13.846 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.496 -0.451 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.997 -2.196 -13.519 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.232 -2.163 -9.323 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.751 -3.463 -10.265 1.00 0.00 H new ATOM 561 N GLY A 38 4.917 1.881 -11.435 1.00 0.00 N ATOM 562 CA GLY A 38 5.901 2.946 -11.362 1.00 0.00 C ATOM 563 C GLY A 38 7.054 2.607 -10.439 1.00 0.00 C ATOM 564 O GLY A 38 7.142 1.491 -9.928 1.00 0.00 O ATOM 0 H GLY A 38 4.453 1.665 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.287 3.149 -12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.418 3.860 -11.015 1.00 0.00 H new ATOM 568 N ARG A 39 7.943 3.572 -10.226 1.00 0.00 N ATOM 569 CA ARG A 39 9.098 3.370 -9.361 1.00 0.00 C ATOM 570 C ARG A 39 8.768 3.737 -7.917 1.00 0.00 C ATOM 571 O ARG A 39 8.293 4.838 -7.639 1.00 0.00 O ATOM 572 CB ARG A 39 10.283 4.204 -9.852 1.00 0.00 C ATOM 573 CG ARG A 39 10.974 3.621 -11.074 1.00 0.00 C ATOM 574 CD ARG A 39 12.397 4.138 -11.209 1.00 0.00 C ATOM 575 NE ARG A 39 12.847 4.145 -12.599 1.00 0.00 N ATOM 576 CZ ARG A 39 14.012 4.649 -12.992 1.00 0.00 C ATOM 577 NH1 ARG A 39 14.839 5.184 -12.105 1.00 0.00 N ATOM 578 NH2 ARG A 39 14.351 4.618 -14.274 1.00 0.00 N ATOM 0 H ARG A 39 7.885 4.502 -10.641 1.00 0.00 H new ATOM 0 HA ARG A 39 9.366 2.314 -9.397 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.936 5.210 -10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.009 4.298 -9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.986 2.533 -11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.407 3.875 -11.970 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.456 5.148 -10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.067 3.517 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 39 12.233 3.741 -13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.582 5.209 -11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.733 5.570 -12.409 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.717 4.207 -14.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.246 5.005 -14.574 1.00 0.00 H new ATOM 592 N VAL A 40 9.022 2.807 -7.002 1.00 0.00 N ATOM 593 CA VAL A 40 8.752 3.033 -5.587 1.00 0.00 C ATOM 594 C VAL A 40 9.907 3.770 -4.919 1.00 0.00 C ATOM 595 O VAL A 40 10.899 3.161 -4.520 1.00 0.00 O ATOM 596 CB VAL A 40 8.506 1.706 -4.844 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.378 1.948 -3.348 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.266 1.013 -5.389 1.00 0.00 C ATOM 0 H VAL A 40 9.414 1.890 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 40 7.852 3.645 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 40 9.362 1.052 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.205 1.000 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.297 2.398 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.541 2.620 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.107 0.077 -4.853 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.399 1.660 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.402 0.805 -6.450 1.00 0.00 H new ATOM 608 N GLY A 41 9.770 5.087 -4.798 1.00 0.00 N ATOM 609 CA GLY A 41 10.809 5.887 -4.176 1.00 0.00 C ATOM 610 C GLY A 41 11.234 5.339 -2.829 1.00 0.00 C ATOM 611 O GLY A 41 12.350 4.841 -2.678 1.00 0.00 O ATOM 0 H GLY A 41 8.958 5.614 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.675 5.930 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.451 6.909 -4.052 1.00 0.00 H new ATOM 615 N ASP A 42 10.345 5.431 -1.846 1.00 0.00 N ATOM 616 CA ASP A 42 10.635 4.941 -0.504 1.00 0.00 C ATOM 617 C ASP A 42 9.441 4.180 0.066 1.00 0.00 C ATOM 618 O ASP A 42 8.302 4.388 -0.352 1.00 0.00 O ATOM 619 CB ASP A 42 11.002 6.104 0.419 1.00 0.00 C ATOM 620 CG ASP A 42 9.785 6.735 1.068 1.00 0.00 C ATOM 621 OD1 ASP A 42 8.677 6.600 0.508 1.00 0.00 O ATOM 622 OD2 ASP A 42 9.941 7.362 2.136 1.00 0.00 O ATOM 0 H ASP A 42 9.417 5.841 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 42 11.482 4.258 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.680 5.748 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.539 6.861 -0.152 1.00 0.00 H new ATOM 627 N VAL A 43 9.711 3.297 1.022 1.00 0.00 N ATOM 628 CA VAL A 43 8.659 2.505 1.649 1.00 0.00 C ATOM 629 C VAL A 43 8.810 2.495 3.167 1.00 0.00 C ATOM 630 O VAL A 43 9.814 2.022 3.698 1.00 0.00 O ATOM 631 CB VAL A 43 8.667 1.053 1.135 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.325 0.387 1.394 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.013 1.015 -0.346 1.00 0.00 C ATOM 0 H VAL A 43 10.648 3.112 1.379 1.00 0.00 H new ATOM 0 HA VAL A 43 7.711 2.972 1.383 1.00 0.00 H new ATOM 0 HB VAL A 43 9.432 0.498 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.350 -0.638 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.122 0.381 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.539 0.940 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.014 -0.018 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.273 1.585 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.000 1.451 -0.500 1.00 0.00 H new ATOM 643 N TYR A 44 7.805 3.021 3.858 1.00 0.00 N ATOM 644 CA TYR A 44 7.826 3.075 5.315 1.00 0.00 C ATOM 645 C TYR A 44 6.562 2.454 5.901 1.00 0.00 C ATOM 646 O TYR A 44 5.448 2.785 5.495 1.00 0.00 O ATOM 647 CB TYR A 44 7.964 4.522 5.791 1.00 0.00 C ATOM 648 CG TYR A 44 8.209 4.650 7.277 1.00 0.00 C ATOM 649 CD1 TYR A 44 9.485 4.503 7.807 1.00 0.00 C ATOM 650 CD2 TYR A 44 7.163 4.917 8.153 1.00 0.00 C ATOM 651 CE1 TYR A 44 9.713 4.619 9.164 1.00 0.00 C ATOM 652 CE2 TYR A 44 7.382 5.036 9.512 1.00 0.00 C ATOM 653 CZ TYR A 44 8.658 4.886 10.013 1.00 0.00 C ATOM 654 OH TYR A 44 8.880 5.001 11.366 1.00 0.00 O ATOM 0 H TYR A 44 6.966 3.416 3.433 1.00 0.00 H new ATOM 0 HA TYR A 44 8.686 2.502 5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.786 4.995 5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.057 5.069 5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.313 4.294 7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.162 5.033 7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.711 4.501 9.559 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.558 5.245 10.178 1.00 0.00 H new ATOM 0 HH TYR A 44 8.033 5.191 11.821 1.00 0.00 H new ATOM 664 N ILE A 45 6.744 1.552 6.860 1.00 0.00 N ATOM 665 CA ILE A 45 5.619 0.885 7.504 1.00 0.00 C ATOM 666 C ILE A 45 5.709 0.998 9.022 1.00 0.00 C ATOM 667 O ILE A 45 6.343 0.184 9.694 1.00 0.00 O ATOM 668 CB ILE A 45 5.548 -0.603 7.115 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.738 -0.767 5.605 1.00 0.00 C ATOM 670 CG2 ILE A 45 4.222 -1.204 7.556 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.074 -2.182 5.189 1.00 0.00 C ATOM 0 H ILE A 45 7.659 1.267 7.208 1.00 0.00 H new ATOM 0 HA ILE A 45 4.715 1.386 7.157 1.00 0.00 H new ATOM 0 HB ILE A 45 6.352 -1.135 7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.826 -0.454 5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.534 -0.100 5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.188 -2.256 7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.124 -1.115 8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.403 -0.672 7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.195 -2.224 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.002 -2.492 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.268 -2.851 5.491 1.00 0.00 H new ATOM 683 N PRO A 46 5.059 2.031 9.578 1.00 0.00 N ATOM 684 CA PRO A 46 5.048 2.274 11.024 1.00 0.00 C ATOM 685 C PRO A 46 4.737 1.012 11.822 1.00 0.00 C ATOM 686 O PRO A 46 3.718 0.360 11.597 1.00 0.00 O ATOM 687 CB PRO A 46 3.933 3.308 11.202 1.00 0.00 C ATOM 688 CG PRO A 46 3.882 4.036 9.904 1.00 0.00 C ATOM 689 CD PRO A 46 4.283 3.041 8.839 1.00 0.00 C ATOM 0 HA PRO A 46 6.020 2.608 11.388 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.980 2.828 11.425 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.149 3.986 12.028 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.881 4.424 9.716 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.559 4.890 9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.412 2.601 8.354 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.879 3.511 8.057 1.00 0.00 H new ATOM 697 N ARG A 47 5.622 0.675 12.755 1.00 0.00 N ATOM 698 CA ARG A 47 5.442 -0.510 13.585 1.00 0.00 C ATOM 699 C ARG A 47 4.896 -0.132 14.959 1.00 0.00 C ATOM 700 O ARG A 47 4.859 1.043 15.321 1.00 0.00 O ATOM 701 CB ARG A 47 6.767 -1.258 13.739 1.00 0.00 C ATOM 702 CG ARG A 47 7.861 -0.431 14.395 1.00 0.00 C ATOM 703 CD ARG A 47 9.233 -1.049 14.177 1.00 0.00 C ATOM 704 NE ARG A 47 10.289 -0.280 14.830 1.00 0.00 N ATOM 705 CZ ARG A 47 11.539 -0.711 14.959 1.00 0.00 C ATOM 706 NH1 ARG A 47 11.887 -1.898 14.482 1.00 0.00 N ATOM 707 NH2 ARG A 47 12.444 0.047 15.566 1.00 0.00 N ATOM 0 H ARG A 47 6.470 1.205 12.955 1.00 0.00 H new ATOM 0 HA ARG A 47 4.721 -1.162 13.092 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.600 -2.158 14.331 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.108 -1.582 12.756 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.847 0.580 13.988 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.664 -0.347 15.464 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.237 -2.069 14.561 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.437 -1.111 13.108 1.00 0.00 H new ATOM 0 HE ARG A 47 10.054 0.638 15.208 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.194 -2.483 14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.847 -2.226 14.582 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.180 0.961 15.934 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.404 -0.285 15.665 1.00 0.00 H new ATOM 721 N GLU A 48 4.474 -1.138 15.719 1.00 0.00 N ATOM 722 CA GLU A 48 3.929 -0.910 17.053 1.00 0.00 C ATOM 723 C GLU A 48 5.047 -0.678 18.065 1.00 0.00 C ATOM 724 O GLU A 48 6.207 -1.021 17.836 1.00 0.00 O ATOM 725 CB GLU A 48 3.072 -2.100 17.488 1.00 0.00 C ATOM 726 CG GLU A 48 1.615 -1.986 17.071 1.00 0.00 C ATOM 727 CD GLU A 48 0.949 -3.337 16.901 1.00 0.00 C ATOM 728 OE1 GLU A 48 0.921 -4.112 17.880 1.00 0.00 O ATOM 729 OE2 GLU A 48 0.456 -3.620 15.789 1.00 0.00 O ATOM 0 H GLU A 48 4.499 -2.117 15.435 1.00 0.00 H new ATOM 0 HA GLU A 48 3.305 -0.017 17.015 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.492 -3.013 17.065 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.124 -2.197 18.572 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.071 -1.409 17.819 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.552 -1.433 16.134 1.00 0.00 H new ATOM 736 N PRO A 49 4.692 -0.080 19.212 1.00 0.00 N ATOM 737 CA PRO A 49 5.650 0.212 20.282 1.00 0.00 C ATOM 738 C PRO A 49 6.566 -0.971 20.579 1.00 0.00 C ATOM 739 O PRO A 49 7.791 -0.842 20.554 1.00 0.00 O ATOM 740 CB PRO A 49 4.755 0.511 21.488 1.00 0.00 C ATOM 741 CG PRO A 49 3.487 1.026 20.899 1.00 0.00 C ATOM 742 CD PRO A 49 3.328 0.356 19.552 1.00 0.00 C ATOM 0 HA PRO A 49 6.319 1.030 20.017 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.580 -0.385 22.083 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.213 1.248 22.148 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.640 0.799 21.546 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.523 2.110 20.790 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.640 -0.488 19.604 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.931 1.046 18.807 1.00 0.00 H new ATOM 750 N HIS A 50 5.965 -2.123 20.859 1.00 0.00 N ATOM 751 CA HIS A 50 6.728 -3.330 21.160 1.00 0.00 C ATOM 752 C HIS A 50 6.836 -4.224 19.929 1.00 0.00 C ATOM 753 O HIS A 50 7.925 -4.433 19.393 1.00 0.00 O ATOM 754 CB HIS A 50 6.074 -4.099 22.308 1.00 0.00 C ATOM 755 CG HIS A 50 5.629 -3.223 23.439 1.00 0.00 C ATOM 756 ND1 HIS A 50 6.480 -2.787 24.432 1.00 0.00 N ATOM 757 CD2 HIS A 50 4.414 -2.701 23.729 1.00 0.00 C ATOM 758 CE1 HIS A 50 5.807 -2.036 25.286 1.00 0.00 C ATOM 759 NE2 HIS A 50 4.552 -1.968 24.882 1.00 0.00 N ATOM 0 H HIS A 50 4.953 -2.247 20.884 1.00 0.00 H new ATOM 0 HA HIS A 50 7.732 -3.031 21.460 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.214 -4.647 21.924 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.779 -4.838 22.688 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.506 -2.836 23.160 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.214 -1.559 26.165 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.806 -1.454 25.350 1.00 0.00 H new ATOM 767 N THR A 51 5.700 -4.753 19.485 1.00 0.00 N ATOM 768 CA THR A 51 5.667 -5.627 18.319 1.00 0.00 C ATOM 769 C THR A 51 6.137 -4.892 17.068 1.00 0.00 C ATOM 770 O THR A 51 5.684 -3.785 16.778 1.00 0.00 O ATOM 771 CB THR A 51 4.252 -6.182 18.073 1.00 0.00 C ATOM 772 OG1 THR A 51 3.311 -5.106 17.990 1.00 0.00 O ATOM 773 CG2 THR A 51 3.844 -7.135 19.186 1.00 0.00 C ATOM 0 H THR A 51 4.790 -4.591 19.916 1.00 0.00 H new ATOM 0 HA THR A 51 6.343 -6.456 18.526 1.00 0.00 H new ATOM 0 HB THR A 51 4.259 -6.730 17.131 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.403 -5.470 17.925 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.841 -7.514 18.991 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.546 -7.968 19.227 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.853 -6.606 20.139 1.00 0.00 H new ATOM 781 N LYS A 52 7.048 -5.516 16.329 1.00 0.00 N ATOM 782 CA LYS A 52 7.579 -4.923 15.107 1.00 0.00 C ATOM 783 C LYS A 52 6.641 -5.170 13.931 1.00 0.00 C ATOM 784 O LYS A 52 7.085 -5.464 12.821 1.00 0.00 O ATOM 785 CB LYS A 52 8.964 -5.496 14.798 1.00 0.00 C ATOM 786 CG LYS A 52 9.153 -6.925 15.279 1.00 0.00 C ATOM 787 CD LYS A 52 10.447 -7.523 14.754 1.00 0.00 C ATOM 788 CE LYS A 52 10.901 -8.701 15.603 1.00 0.00 C ATOM 789 NZ LYS A 52 12.113 -9.357 15.040 1.00 0.00 N ATOM 0 H LYS A 52 7.434 -6.433 16.555 1.00 0.00 H new ATOM 0 HA LYS A 52 7.664 -3.847 15.261 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.131 -5.459 13.722 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.721 -4.863 15.260 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.157 -6.946 16.369 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.310 -7.534 14.952 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.307 -7.849 13.723 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.224 -6.759 14.744 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.111 -8.359 16.616 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.094 -9.430 15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.390 -10.154 15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.905 -9.707 14.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.891 -8.669 14.996 1.00 0.00 H new ATOM 803 N ALA A 53 5.341 -5.048 14.180 1.00 0.00 N ATOM 804 CA ALA A 53 4.341 -5.254 13.140 1.00 0.00 C ATOM 805 C ALA A 53 3.687 -3.937 12.738 1.00 0.00 C ATOM 806 O ALA A 53 3.578 -3.002 13.533 1.00 0.00 O ATOM 807 CB ALA A 53 3.288 -6.247 13.610 1.00 0.00 C ATOM 0 H ALA A 53 4.956 -4.807 15.093 1.00 0.00 H new ATOM 0 HA ALA A 53 4.844 -5.662 12.263 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.547 -6.391 12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.764 -7.200 13.840 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.798 -5.861 14.504 1.00 0.00 H new ATOM 813 N PRO A 54 3.241 -3.857 11.476 1.00 0.00 N ATOM 814 CA PRO A 54 2.590 -2.658 10.940 1.00 0.00 C ATOM 815 C PRO A 54 1.545 -2.090 11.894 1.00 0.00 C ATOM 816 O PRO A 54 1.069 -2.784 12.792 1.00 0.00 O ATOM 817 CB PRO A 54 1.924 -3.160 9.656 1.00 0.00 C ATOM 818 CG PRO A 54 2.761 -4.313 9.221 1.00 0.00 C ATOM 819 CD PRO A 54 3.338 -4.932 10.474 1.00 0.00 C ATOM 0 HA PRO A 54 3.300 -1.846 10.780 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.893 -3.465 9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.896 -2.381 8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.162 -5.039 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.556 -3.983 8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.776 -5.815 10.779 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.371 -5.247 10.325 1.00 0.00 H new ATOM 827 N ARG A 55 1.194 -0.824 11.694 1.00 0.00 N ATOM 828 CA ARG A 55 0.206 -0.163 12.538 1.00 0.00 C ATOM 829 C ARG A 55 -1.161 -0.141 11.861 1.00 0.00 C ATOM 830 O ARG A 55 -2.092 0.504 12.339 1.00 0.00 O ATOM 831 CB ARG A 55 0.651 1.266 12.858 1.00 0.00 C ATOM 832 CG ARG A 55 1.528 1.368 14.095 1.00 0.00 C ATOM 833 CD ARG A 55 1.655 2.807 14.571 1.00 0.00 C ATOM 834 NE ARG A 55 0.545 3.196 15.437 1.00 0.00 N ATOM 835 CZ ARG A 55 0.584 4.242 16.255 1.00 0.00 C ATOM 836 NH1 ARG A 55 1.671 4.999 16.318 1.00 0.00 N ATOM 837 NH2 ARG A 55 -0.466 4.532 17.013 1.00 0.00 N ATOM 0 H ARG A 55 1.579 -0.236 10.955 1.00 0.00 H new ATOM 0 HA ARG A 55 0.123 -0.728 13.467 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.195 1.668 12.003 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.232 1.890 12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.107 0.756 14.892 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.518 0.968 13.875 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.595 2.929 15.109 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.693 3.472 13.708 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.306 2.634 15.412 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.480 4.779 15.737 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.698 5.801 16.947 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.304 3.952 16.968 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.435 5.335 17.641 1.00 0.00 H new ATOM 851 N GLY A 56 -1.273 -0.853 10.743 1.00 0.00 N ATOM 852 CA GLY A 56 -2.529 -0.901 10.017 1.00 0.00 C ATOM 853 C GLY A 56 -2.433 -0.257 8.649 1.00 0.00 C ATOM 854 O GLY A 56 -3.178 -0.611 7.734 1.00 0.00 O ATOM 0 H GLY A 56 -0.517 -1.397 10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.841 -1.939 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.301 -0.397 10.599 1.00 0.00 H new ATOM 858 N PHE A 57 -1.515 0.693 8.507 1.00 0.00 N ATOM 859 CA PHE A 57 -1.326 1.391 7.240 1.00 0.00 C ATOM 860 C PHE A 57 0.158 1.570 6.933 1.00 0.00 C ATOM 861 O PHE A 57 1.017 1.199 7.733 1.00 0.00 O ATOM 862 CB PHE A 57 -2.018 2.755 7.277 1.00 0.00 C ATOM 863 CG PHE A 57 -1.729 3.541 8.524 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.427 3.861 8.871 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.760 3.958 9.350 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.157 4.584 10.018 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.497 4.682 10.498 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.194 4.994 10.833 1.00 0.00 C ATOM 0 H PHE A 57 -0.890 0.997 9.253 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.772 0.786 6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.704 3.336 6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.095 2.610 7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.388 3.542 8.238 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.781 3.715 9.094 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.863 4.828 10.276 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.310 5.003 11.132 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.986 5.558 11.731 1.00 0.00 H new ATOM 878 N ALA A 58 0.451 2.139 5.769 1.00 0.00 N ATOM 879 CA ALA A 58 1.830 2.368 5.356 1.00 0.00 C ATOM 880 C ALA A 58 1.939 3.603 4.468 1.00 0.00 C ATOM 881 O ALA A 58 0.946 4.068 3.909 1.00 0.00 O ATOM 882 CB ALA A 58 2.374 1.145 4.632 1.00 0.00 C ATOM 0 H ALA A 58 -0.248 2.450 5.095 1.00 0.00 H new ATOM 0 HA ALA A 58 2.427 2.542 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.405 1.330 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.341 0.283 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.767 0.945 3.749 1.00 0.00 H new ATOM 888 N PHE A 59 3.153 4.130 4.343 1.00 0.00 N ATOM 889 CA PHE A 59 3.391 5.313 3.524 1.00 0.00 C ATOM 890 C PHE A 59 4.353 4.999 2.382 1.00 0.00 C ATOM 891 O PHE A 59 5.524 4.692 2.607 1.00 0.00 O ATOM 892 CB PHE A 59 3.954 6.448 4.382 1.00 0.00 C ATOM 893 CG PHE A 59 2.933 7.083 5.281 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.972 7.938 4.766 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.933 6.825 6.643 1.00 0.00 C ATOM 896 CE1 PHE A 59 1.032 8.524 5.592 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.995 7.407 7.473 1.00 0.00 C ATOM 898 CZ PHE A 59 1.042 8.257 6.947 1.00 0.00 C ATOM 0 H PHE A 59 3.986 3.757 4.798 1.00 0.00 H new ATOM 0 HA PHE A 59 2.438 5.627 3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.772 6.062 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.376 7.212 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.957 8.149 3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.675 6.161 7.060 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.290 9.191 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.007 7.198 8.532 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.306 8.712 7.594 1.00 0.00 H new ATOM 908 N VAL A 60 3.849 5.077 1.154 1.00 0.00 N ATOM 909 CA VAL A 60 4.662 4.801 -0.025 1.00 0.00 C ATOM 910 C VAL A 60 4.804 6.043 -0.897 1.00 0.00 C ATOM 911 O VAL A 60 3.845 6.790 -1.092 1.00 0.00 O ATOM 912 CB VAL A 60 4.060 3.661 -0.868 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.055 3.191 -1.918 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.631 2.508 0.026 1.00 0.00 C ATOM 0 H VAL A 60 2.882 5.329 0.950 1.00 0.00 H new ATOM 0 HA VAL A 60 5.646 4.497 0.333 1.00 0.00 H new ATOM 0 HB VAL A 60 3.177 4.040 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.612 2.385 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.309 4.022 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.958 2.829 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.208 1.711 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.496 2.128 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.881 2.857 0.736 1.00 0.00 H new ATOM 924 N ARG A 61 6.007 6.258 -1.420 1.00 0.00 N ATOM 925 CA ARG A 61 6.275 7.411 -2.271 1.00 0.00 C ATOM 926 C ARG A 61 6.541 6.975 -3.709 1.00 0.00 C ATOM 927 O ARG A 61 7.025 5.869 -3.954 1.00 0.00 O ATOM 928 CB ARG A 61 7.472 8.199 -1.737 1.00 0.00 C ATOM 929 CG ARG A 61 7.167 8.988 -0.473 1.00 0.00 C ATOM 930 CD ARG A 61 8.120 10.160 -0.305 1.00 0.00 C ATOM 931 NE ARG A 61 8.055 10.731 1.038 1.00 0.00 N ATOM 932 CZ ARG A 61 8.869 11.687 1.471 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.806 12.177 0.671 1.00 0.00 N ATOM 934 NH2 ARG A 61 8.747 12.154 2.707 1.00 0.00 N ATOM 0 H ARG A 61 6.811 5.649 -1.269 1.00 0.00 H new ATOM 0 HA ARG A 61 5.393 8.051 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.290 7.508 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.818 8.886 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.141 9.354 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.240 8.331 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.139 9.831 -0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.880 10.930 -1.038 1.00 0.00 H new ATOM 0 HE ARG A 61 7.345 10.376 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.903 11.820 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.430 12.911 1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.028 11.779 3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.373 12.888 3.039 1.00 0.00 H new ATOM 948 N PHE A 62 6.221 7.850 -4.656 1.00 0.00 N ATOM 949 CA PHE A 62 6.424 7.555 -6.070 1.00 0.00 C ATOM 950 C PHE A 62 7.402 8.544 -6.697 1.00 0.00 C ATOM 951 O PHE A 62 7.850 9.489 -6.047 1.00 0.00 O ATOM 952 CB PHE A 62 5.090 7.597 -6.818 1.00 0.00 C ATOM 953 CG PHE A 62 4.237 6.381 -6.590 1.00 0.00 C ATOM 954 CD1 PHE A 62 3.912 5.977 -5.305 1.00 0.00 C ATOM 955 CD2 PHE A 62 3.759 5.644 -7.661 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.128 4.859 -5.094 1.00 0.00 C ATOM 957 CE2 PHE A 62 2.974 4.525 -7.456 1.00 0.00 C ATOM 958 CZ PHE A 62 2.657 4.132 -6.170 1.00 0.00 C ATOM 0 H PHE A 62 5.820 8.769 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 62 6.846 6.553 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.536 8.483 -6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.284 7.700 -7.886 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.275 6.542 -4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.003 5.947 -8.668 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.883 4.553 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.609 3.959 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.043 3.259 -6.006 1.00 0.00 H new ATOM 968 N HIS A 63 7.731 8.318 -7.965 1.00 0.00 N ATOM 969 CA HIS A 63 8.657 9.188 -8.681 1.00 0.00 C ATOM 970 C HIS A 63 7.938 9.950 -9.791 1.00 0.00 C ATOM 971 O HIS A 63 8.525 10.812 -10.446 1.00 0.00 O ATOM 972 CB HIS A 63 9.807 8.371 -9.270 1.00 0.00 C ATOM 973 CG HIS A 63 10.495 9.044 -10.417 1.00 0.00 C ATOM 974 ND1 HIS A 63 10.168 9.115 -11.728 1.00 0.00 N flip ATOM 975 CD2 HIS A 63 11.671 9.751 -10.278 1.00 0.00 C flip ATOM 976 CE1 HIS A 63 11.141 9.857 -12.352 1.00 0.00 C flip ATOM 977 NE2 HIS A 63 12.036 10.229 -11.455 1.00 0.00 N flip ATOM 0 H HIS A 63 7.370 7.540 -8.517 1.00 0.00 H new ATOM 0 HA HIS A 63 9.061 9.910 -7.971 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.538 8.170 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.423 7.407 -9.603 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.209 9.892 -9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.169 10.097 -13.405 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.868 10.790 -11.639 1.00 0.00 H new ATOM 985 N ASP A 64 6.667 9.625 -9.997 1.00 0.00 N ATOM 986 CA ASP A 64 5.868 10.278 -11.028 1.00 0.00 C ATOM 987 C ASP A 64 4.391 10.289 -10.645 1.00 0.00 C ATOM 988 O ASP A 64 3.984 9.633 -9.686 1.00 0.00 O ATOM 989 CB ASP A 64 6.055 9.573 -12.372 1.00 0.00 C ATOM 990 CG ASP A 64 7.255 10.094 -13.137 1.00 0.00 C ATOM 991 OD1 ASP A 64 7.753 11.186 -12.790 1.00 0.00 O ATOM 992 OD2 ASP A 64 7.698 9.409 -14.083 1.00 0.00 O ATOM 0 H ASP A 64 6.167 8.913 -9.464 1.00 0.00 H new ATOM 0 HA ASP A 64 6.209 11.309 -11.118 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.172 8.502 -12.204 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.157 9.705 -12.976 1.00 0.00 H new ATOM 997 N ARG A 65 3.595 11.038 -11.401 1.00 0.00 N ATOM 998 CA ARG A 65 2.164 11.135 -11.140 1.00 0.00 C ATOM 999 C ARG A 65 1.384 10.159 -12.016 1.00 0.00 C ATOM 1000 O ARG A 65 0.626 9.329 -11.515 1.00 0.00 O ATOM 1001 CB ARG A 65 1.675 12.563 -11.388 1.00 0.00 C ATOM 1002 CG ARG A 65 2.428 13.613 -10.588 1.00 0.00 C ATOM 1003 CD ARG A 65 1.969 15.019 -10.941 1.00 0.00 C ATOM 1004 NE ARG A 65 2.189 15.958 -9.845 1.00 0.00 N ATOM 1005 CZ ARG A 65 2.295 17.271 -10.012 1.00 0.00 C ATOM 1006 NH1 ARG A 65 2.202 17.798 -11.226 1.00 0.00 N ATOM 1007 NH2 ARG A 65 2.494 18.061 -8.965 1.00 0.00 N ATOM 0 H ARG A 65 3.917 11.586 -12.199 1.00 0.00 H new ATOM 0 HA ARG A 65 1.992 10.875 -10.095 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.769 12.791 -12.450 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.615 12.623 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.278 13.437 -9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.497 13.520 -10.779 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.504 15.363 -11.826 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.909 15.001 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 65 2.265 15.585 -8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.049 17.194 -12.034 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.284 18.807 -11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.566 17.660 -8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.575 19.069 -9.095 1.00 0.00 H new ATOM 1021 N ARG A 66 1.574 10.267 -13.327 1.00 0.00 N ATOM 1022 CA ARG A 66 0.887 9.396 -14.273 1.00 0.00 C ATOM 1023 C ARG A 66 1.043 7.931 -13.875 1.00 0.00 C ATOM 1024 O ARG A 66 0.115 7.136 -14.019 1.00 0.00 O ATOM 1025 CB ARG A 66 1.431 9.612 -15.686 1.00 0.00 C ATOM 1026 CG ARG A 66 0.639 8.887 -16.762 1.00 0.00 C ATOM 1027 CD ARG A 66 1.158 9.215 -18.153 1.00 0.00 C ATOM 1028 NE ARG A 66 0.332 8.619 -19.200 1.00 0.00 N ATOM 1029 CZ ARG A 66 0.401 8.970 -20.479 1.00 0.00 C ATOM 1030 NH1 ARG A 66 1.253 9.909 -20.867 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -0.384 8.382 -21.373 1.00 0.00 N ATOM 0 H ARG A 66 2.198 10.949 -13.758 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.173 9.649 -14.257 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.433 10.680 -15.906 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.468 9.277 -15.722 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.697 7.811 -16.595 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.413 9.164 -16.690 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.185 10.297 -18.284 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.183 8.856 -18.252 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.334 7.894 -18.934 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.857 10.364 -20.183 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.304 10.177 -21.850 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.041 7.660 -21.078 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.330 8.652 -22.355 1.00 0.00 H new ATOM 1045 N ASP A 67 2.223 7.582 -13.374 1.00 0.00 N ATOM 1046 CA ASP A 67 2.501 6.213 -12.955 1.00 0.00 C ATOM 1047 C ASP A 67 1.767 5.882 -11.659 1.00 0.00 C ATOM 1048 O ASP A 67 1.334 4.749 -11.452 1.00 0.00 O ATOM 1049 CB ASP A 67 4.006 6.009 -12.770 1.00 0.00 C ATOM 1050 CG ASP A 67 4.753 5.978 -14.089 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.798 4.900 -14.718 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.292 7.030 -14.491 1.00 0.00 O ATOM 0 H ASP A 67 3.002 8.228 -13.248 1.00 0.00 H new ATOM 0 HA ASP A 67 2.145 5.541 -13.735 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.405 6.811 -12.149 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.180 5.075 -12.235 1.00 0.00 H new ATOM 1057 N ALA A 68 1.632 6.878 -10.790 1.00 0.00 N ATOM 1058 CA ALA A 68 0.950 6.693 -9.516 1.00 0.00 C ATOM 1059 C ALA A 68 -0.559 6.591 -9.710 1.00 0.00 C ATOM 1060 O ALA A 68 -1.247 5.914 -8.948 1.00 0.00 O ATOM 1061 CB ALA A 68 1.286 7.834 -8.567 1.00 0.00 C ATOM 0 H ALA A 68 1.986 7.822 -10.945 1.00 0.00 H new ATOM 0 HA ALA A 68 1.298 5.757 -9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.770 7.683 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.362 7.859 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.967 8.779 -9.007 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.066 7.269 -10.735 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.494 7.254 -11.028 1.00 0.00 C ATOM 1069 C GLN A 69 -2.951 5.860 -11.444 1.00 0.00 C ATOM 1070 O GLN A 69 -4.108 5.490 -11.244 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.820 8.261 -12.133 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.151 9.650 -11.611 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.531 9.727 -10.990 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -5.402 8.906 -11.281 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -4.739 10.715 -10.127 1.00 0.00 N ATOM 0 H GLN A 69 -0.509 7.835 -11.376 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.028 7.535 -10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.971 8.330 -12.813 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.664 7.890 -12.714 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.407 9.942 -10.870 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.085 10.367 -12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.989 11.373 -9.915 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.649 10.816 -9.676 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.035 5.092 -12.024 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.344 3.737 -12.468 1.00 0.00 C ATOM 1086 C ASP A 70 -2.347 2.767 -11.291 1.00 0.00 C ATOM 1087 O ASP A 70 -3.323 2.051 -11.066 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.332 3.280 -13.519 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.914 2.259 -14.477 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.764 1.453 -14.042 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.520 2.266 -15.662 1.00 0.00 O ATOM 0 H ASP A 70 -1.073 5.384 -12.198 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.340 3.744 -12.912 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.982 4.145 -14.083 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.463 2.852 -13.020 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.248 2.748 -10.543 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.125 1.867 -9.389 1.00 0.00 C ATOM 1098 C ALA A 71 -2.336 1.992 -8.471 1.00 0.00 C ATOM 1099 O ALA A 71 -2.894 0.989 -8.026 1.00 0.00 O ATOM 1100 CB ALA A 71 0.154 2.175 -8.624 1.00 0.00 C ATOM 0 H ALA A 71 -0.431 3.333 -10.716 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.081 0.840 -9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.233 1.509 -7.764 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.014 2.027 -9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.133 3.209 -8.281 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.736 3.228 -8.191 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.881 3.482 -7.324 1.00 0.00 C ATOM 1108 C GLU A 72 -5.133 2.795 -7.861 1.00 0.00 C ATOM 1109 O GLU A 72 -5.630 1.837 -7.270 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.127 4.987 -7.196 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.137 5.349 -6.119 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.567 5.299 -6.620 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.791 5.622 -7.806 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.462 4.938 -5.827 1.00 0.00 O ATOM 0 H GLU A 72 -2.285 4.069 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.657 3.072 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.182 5.484 -6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.476 5.372 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.027 4.665 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.921 6.350 -5.746 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.638 3.292 -8.985 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.831 2.726 -9.603 1.00 0.00 C ATOM 1123 C ALA A 73 -6.768 1.202 -9.624 1.00 0.00 C ATOM 1124 O ALA A 73 -7.706 0.527 -9.201 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.002 3.268 -11.014 1.00 0.00 C ATOM 0 H ALA A 73 -5.239 4.086 -9.487 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.694 3.020 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.897 2.837 -11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.101 4.353 -10.978 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.131 3.003 -11.614 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.656 0.667 -10.118 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.471 -0.777 -10.192 1.00 0.00 C ATOM 1133 C ALA A 74 -5.720 -1.432 -8.838 1.00 0.00 C ATOM 1134 O ALA A 74 -6.396 -2.457 -8.749 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.071 -1.104 -10.689 1.00 0.00 C ATOM 0 H ALA A 74 -4.870 1.212 -10.473 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.198 -1.176 -10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.946 -2.186 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.928 -0.675 -11.681 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.334 -0.685 -10.003 1.00 0.00 H new ATOM 1141 N MET A 75 -5.169 -0.835 -7.786 1.00 0.00 N ATOM 1142 CA MET A 75 -5.333 -1.362 -6.436 1.00 0.00 C ATOM 1143 C MET A 75 -6.677 -0.945 -5.849 1.00 0.00 C ATOM 1144 O MET A 75 -7.571 -1.772 -5.670 1.00 0.00 O ATOM 1145 CB MET A 75 -4.196 -0.876 -5.535 1.00 0.00 C ATOM 1146 CG MET A 75 -2.990 -1.801 -5.525 1.00 0.00 C ATOM 1147 SD MET A 75 -3.255 -3.277 -4.523 1.00 0.00 S ATOM 1148 CE MET A 75 -1.969 -4.351 -5.156 1.00 0.00 C ATOM 0 H MET A 75 -4.605 0.013 -7.842 1.00 0.00 H new ATOM 0 HA MET A 75 -5.303 -2.450 -6.491 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.881 0.114 -5.864 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.570 -0.770 -4.517 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.756 -2.098 -6.547 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.124 -1.259 -5.145 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.422 -5.228 -5.619 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.378 -3.813 -5.898 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.323 -4.667 -4.337 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.813 0.343 -5.551 1.00 0.00 N ATOM 1159 CA ASP A 76 -8.049 0.870 -4.985 1.00 0.00 C ATOM 1160 C ASP A 76 -9.262 0.132 -5.545 1.00 0.00 C ATOM 1161 O ASP A 76 -9.766 0.469 -6.615 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.170 2.367 -5.274 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.612 2.823 -5.374 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.270 2.945 -4.319 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -10.084 3.058 -6.506 1.00 0.00 O ATOM 0 H ASP A 76 -6.083 1.041 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.019 0.717 -3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.669 2.928 -4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.654 2.597 -6.206 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.724 -0.877 -4.813 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.872 -1.647 -5.253 1.00 0.00 C ATOM 1172 C GLY A 77 -10.483 -3.005 -5.804 1.00 0.00 C ATOM 1173 O GLY A 77 -11.090 -3.493 -6.757 1.00 0.00 O ATOM 0 H GLY A 77 -9.324 -1.175 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.558 -1.781 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.409 -1.088 -6.019 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.467 -3.616 -5.204 1.00 0.00 N ATOM 1178 CA ALA A 78 -8.998 -4.925 -5.640 1.00 0.00 C ATOM 1179 C ALA A 78 -9.335 -6.000 -4.612 1.00 0.00 C ATOM 1180 O ALA A 78 -9.894 -5.707 -3.555 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.499 -4.890 -5.897 1.00 0.00 C ATOM 0 H ALA A 78 -8.953 -3.225 -4.414 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.509 -5.175 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.162 -5.874 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.280 -4.157 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.979 -4.613 -4.980 1.00 0.00 H new ATOM 1187 N GLU A 79 -8.993 -7.245 -4.929 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.262 -8.362 -4.032 1.00 0.00 C ATOM 1189 C GLU A 79 -7.961 -9.011 -3.566 1.00 0.00 C ATOM 1190 O GLU A 79 -7.265 -9.663 -4.345 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.142 -9.403 -4.727 1.00 0.00 C ATOM 1192 CG GLU A 79 -10.714 -10.446 -3.782 1.00 0.00 C ATOM 1193 CD GLU A 79 -11.601 -11.451 -4.490 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -12.607 -11.029 -5.099 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -11.291 -12.659 -4.436 1.00 0.00 O ATOM 0 H GLU A 79 -8.529 -7.505 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.789 -7.975 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.963 -8.894 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.557 -9.905 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.896 -10.972 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.288 -9.947 -3.001 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.640 -8.826 -2.290 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.423 -9.392 -1.718 1.00 0.00 C ATOM 1204 C LEU A 80 -6.634 -9.772 -0.256 1.00 0.00 C ATOM 1205 O LEU A 80 -7.217 -9.011 0.516 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.269 -8.395 -1.836 1.00 0.00 C ATOM 1207 CG LEU A 80 -4.735 -8.150 -3.248 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -3.687 -7.048 -3.239 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.158 -9.432 -3.830 1.00 0.00 C ATOM 0 H LEU A 80 -8.205 -8.289 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.174 -10.294 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.596 -7.441 -1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.446 -8.747 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.564 -7.829 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.319 -6.888 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.132 -6.126 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.858 -7.339 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.783 -9.239 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.341 -9.783 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.936 -10.194 -3.874 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.154 -10.953 0.117 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.286 -11.434 1.488 1.00 0.00 C ATOM 1223 C ASP A 81 -7.754 -11.508 1.898 1.00 0.00 C ATOM 1224 O ASP A 81 -8.084 -11.429 3.080 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.522 -10.520 2.448 1.00 0.00 C ATOM 1226 CG ASP A 81 -5.668 -10.948 3.894 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -5.036 -11.953 4.283 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -6.414 -10.278 4.639 1.00 0.00 O ATOM 0 H ASP A 81 -5.670 -11.595 -0.510 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.861 -12.437 1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.466 -10.516 2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.883 -9.498 2.337 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.632 -11.660 0.911 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.054 -11.742 1.189 1.00 0.00 C ATOM 1235 C GLY A 82 -10.654 -10.395 1.541 1.00 0.00 C ATOM 1236 O GLY A 82 -11.869 -10.271 1.698 1.00 0.00 O ATOM 0 H GLY A 82 -8.384 -11.728 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.568 -12.149 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.221 -12.437 2.012 1.00 0.00 H new ATOM 1240 N ARG A 83 -9.801 -9.384 1.668 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.254 -8.040 2.007 1.00 0.00 C ATOM 1242 C ARG A 83 -10.015 -7.077 0.848 1.00 0.00 C ATOM 1243 O ARG A 83 -9.382 -7.432 -0.145 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.533 -7.537 3.259 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.023 -8.182 4.545 1.00 0.00 C ATOM 1246 CD ARG A 83 -11.230 -7.451 5.110 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.975 -8.275 6.059 1.00 0.00 N ATOM 1248 CZ ARG A 83 -12.988 -7.822 6.789 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -13.376 -6.559 6.679 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -13.616 -8.633 7.630 1.00 0.00 N ATOM 0 H ARG A 83 -8.793 -9.470 1.541 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.325 -8.084 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.465 -7.725 3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.661 -6.457 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.283 -9.223 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.220 -8.184 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.901 -6.537 5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.888 -7.153 4.294 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.702 -9.252 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.896 -5.933 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.154 -6.214 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.321 -9.606 7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.394 -8.284 8.190 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.527 -5.858 0.984 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.370 -4.844 -0.053 1.00 0.00 C ATOM 1266 C GLU A 84 -9.309 -3.821 0.342 1.00 0.00 C ATOM 1267 O GLU A 84 -9.625 -2.760 0.883 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.702 -4.140 -0.315 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.777 -3.465 -1.674 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.202 -3.304 -2.168 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -14.032 -4.195 -1.889 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.488 -2.286 -2.833 1.00 0.00 O ATOM 0 H GLU A 84 -11.054 -5.548 1.801 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.046 -5.343 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.510 -4.868 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.868 -3.393 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.304 -2.485 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.209 -4.050 -2.398 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.051 -4.146 0.069 1.00 0.00 N ATOM 1280 CA LEU A 85 -6.942 -3.256 0.396 1.00 0.00 C ATOM 1281 C LEU A 85 -7.210 -1.843 -0.112 1.00 0.00 C ATOM 1282 O LEU A 85 -7.375 -1.625 -1.313 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.640 -3.788 -0.206 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.162 -5.142 0.320 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -3.889 -5.572 -0.392 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.939 -5.081 1.824 1.00 0.00 C ATOM 0 H LEU A 85 -7.773 -5.019 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.845 -3.220 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.767 -3.864 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.854 -3.054 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.935 -5.883 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.564 -6.538 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.081 -5.656 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.108 -4.831 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.599 -6.053 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.184 -4.327 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.873 -4.819 2.320 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.250 -0.886 0.809 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.496 0.507 0.454 1.00 0.00 C ATOM 1300 C ARG A 86 -6.194 1.214 0.088 1.00 0.00 C ATOM 1301 O ARG A 86 -5.365 1.496 0.953 1.00 0.00 O ATOM 1302 CB ARG A 86 -8.178 1.237 1.612 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.092 2.367 1.166 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.400 1.836 0.601 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.295 1.358 1.651 1.00 0.00 N ATOM 1306 CZ ARG A 86 -12.405 0.668 1.412 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.754 0.377 0.167 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -13.169 0.268 2.421 1.00 0.00 N ATOM 0 H ARG A 86 -7.115 -1.049 1.807 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.154 0.524 -0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.758 0.519 2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.414 1.640 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.299 3.024 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.586 2.969 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.896 2.623 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.191 1.024 -0.095 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.055 1.565 2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.170 0.683 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.607 -0.153 -0.013 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.904 0.490 3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.021 -0.262 2.237 1.00 0.00 H new ATOM 1322 N VAL A 87 -6.021 1.496 -1.199 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.821 2.170 -1.679 1.00 0.00 C ATOM 1324 C VAL A 87 -5.166 3.493 -2.354 1.00 0.00 C ATOM 1325 O VAL A 87 -5.673 3.514 -3.475 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.041 1.288 -2.673 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.599 1.757 -2.785 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.104 -0.173 -2.250 1.00 0.00 C ATOM 0 H VAL A 87 -6.697 1.268 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.196 2.362 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.505 1.379 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.064 1.122 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.578 2.789 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.120 1.697 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.548 -0.782 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.666 -0.284 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.143 -0.500 -2.226 1.00 0.00 H new ATOM 1338 N GLN A 88 -4.888 4.593 -1.663 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.170 5.921 -2.196 1.00 0.00 C ATOM 1340 C GLN A 88 -4.144 6.935 -1.700 1.00 0.00 C ATOM 1341 O GLN A 88 -3.236 6.596 -0.942 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.578 6.365 -1.798 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.766 6.518 -0.297 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.207 6.330 0.133 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.888 5.410 -0.323 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.681 7.202 1.015 1.00 0.00 N ATOM 0 H GLN A 88 -4.468 4.592 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.107 5.870 -3.283 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.801 7.316 -2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.299 5.639 -2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.139 5.791 0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.426 7.507 0.009 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.082 7.949 1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.644 7.125 1.341 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.295 8.182 -2.135 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.383 9.247 -1.735 1.00 0.00 C ATOM 1357 C VAL A 89 -3.609 9.647 -0.281 1.00 0.00 C ATOM 1358 O VAL A 89 -4.707 9.490 0.253 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.544 10.490 -2.629 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.666 11.627 -2.128 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.218 10.151 -4.076 1.00 0.00 C ATOM 0 H VAL A 89 -5.040 8.479 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.372 8.856 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.582 10.818 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.794 12.497 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.952 11.886 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.622 11.314 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.337 11.041 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.189 9.797 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.894 9.372 -4.428 1.00 0.00 H new ATOM 1371 N ALA A 90 -2.563 10.166 0.354 1.00 0.00 N ATOM 1372 CA ALA A 90 -2.648 10.591 1.745 1.00 0.00 C ATOM 1373 C ALA A 90 -3.349 11.940 1.865 1.00 0.00 C ATOM 1374 O ALA A 90 -3.612 12.604 0.862 1.00 0.00 O ATOM 1375 CB ALA A 90 -1.259 10.659 2.362 1.00 0.00 C ATOM 0 H ALA A 90 -1.647 10.302 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.239 9.854 2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.338 10.978 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.793 9.675 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.650 11.373 1.809 1.00 0.00 H new ATOM 1381 N ARG A 91 -3.648 12.339 3.097 1.00 0.00 N ATOM 1382 CA ARG A 91 -4.320 13.608 3.347 1.00 0.00 C ATOM 1383 C ARG A 91 -3.972 14.145 4.732 1.00 0.00 C ATOM 1384 O ARG A 91 -4.405 13.598 5.747 1.00 0.00 O ATOM 1385 CB ARG A 91 -5.836 13.441 3.219 1.00 0.00 C ATOM 1386 CG ARG A 91 -6.557 14.715 2.810 1.00 0.00 C ATOM 1387 CD ARG A 91 -8.066 14.548 2.881 1.00 0.00 C ATOM 1388 NE ARG A 91 -8.613 13.983 1.651 1.00 0.00 N ATOM 1389 CZ ARG A 91 -8.662 12.679 1.400 1.00 0.00 C ATOM 1390 NH1 ARG A 91 -8.201 11.811 2.289 1.00 0.00 N ATOM 1391 NH2 ARG A 91 -9.175 12.242 0.257 1.00 0.00 N ATOM 0 H ARG A 91 -3.435 11.802 3.937 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.976 14.325 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.047 12.663 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.237 13.097 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.249 15.533 3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.267 14.989 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.320 13.901 3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.529 15.516 3.072 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.977 14.624 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.807 12.143 3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.240 10.811 2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.532 12.907 -0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.213 11.241 0.064 1.00 0.00 H new ATOM 1405 N TYR A 92 -3.188 15.216 4.766 1.00 0.00 N ATOM 1406 CA TYR A 92 -2.779 15.824 6.026 1.00 0.00 C ATOM 1407 C TYR A 92 -3.149 17.304 6.062 1.00 0.00 C ATOM 1408 O TYR A 92 -3.171 17.976 5.032 1.00 0.00 O ATOM 1409 CB TYR A 92 -1.272 15.659 6.232 1.00 0.00 C ATOM 1410 CG TYR A 92 -0.445 16.698 5.510 1.00 0.00 C ATOM 1411 CD1 TYR A 92 -0.405 16.741 4.122 1.00 0.00 C ATOM 1412 CD2 TYR A 92 0.298 17.636 6.216 1.00 0.00 C ATOM 1413 CE1 TYR A 92 0.350 17.688 3.458 1.00 0.00 C ATOM 1414 CE2 TYR A 92 1.055 18.588 5.560 1.00 0.00 C ATOM 1415 CZ TYR A 92 1.078 18.610 4.181 1.00 0.00 C ATOM 1416 OH TYR A 92 1.832 19.556 3.525 1.00 0.00 O ATOM 0 H TYR A 92 -2.823 15.681 3.935 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.307 15.316 6.833 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.052 15.709 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.973 14.668 5.891 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.974 16.021 3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.284 17.621 7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.370 17.707 2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.626 19.311 6.124 1.00 0.00 H new ATOM 0 HH TYR A 92 2.282 20.129 4.181 1.00 0.00 H new ATOM 1426 N GLY A 93 -3.438 17.806 7.259 1.00 0.00 N ATOM 1427 CA GLY A 93 -3.803 19.203 7.409 1.00 0.00 C ATOM 1428 C GLY A 93 -5.266 19.456 7.106 1.00 0.00 C ATOM 1429 O GLY A 93 -5.927 18.633 6.473 1.00 0.00 O ATOM 0 H GLY A 93 -3.426 17.271 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.585 19.525 8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.187 19.809 6.745 1.00 0.00 H new ATOM 1433 N ARG A 94 -5.774 20.597 7.560 1.00 0.00 N ATOM 1434 CA ARG A 94 -7.170 20.955 7.336 1.00 0.00 C ATOM 1435 C ARG A 94 -7.280 22.317 6.656 1.00 0.00 C ATOM 1436 O ARG A 94 -8.258 22.599 5.964 1.00 0.00 O ATOM 1437 CB ARG A 94 -7.933 20.971 8.661 1.00 0.00 C ATOM 1438 CG ARG A 94 -7.422 22.010 9.646 1.00 0.00 C ATOM 1439 CD ARG A 94 -7.640 21.569 11.085 1.00 0.00 C ATOM 1440 NE ARG A 94 -7.068 22.514 12.040 1.00 0.00 N ATOM 1441 CZ ARG A 94 -7.412 22.563 13.322 1.00 0.00 C ATOM 1442 NH1 ARG A 94 -8.321 21.724 13.800 1.00 0.00 N ATOM 1443 NH2 ARG A 94 -6.846 23.451 14.129 1.00 0.00 N ATOM 0 H ARG A 94 -5.240 21.289 8.085 1.00 0.00 H new ATOM 0 HA ARG A 94 -7.611 20.204 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.988 21.160 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.868 19.985 9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.360 22.184 9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.932 22.958 9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.708 21.465 11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.192 20.587 11.235 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.366 23.173 11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.758 21.039 13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.584 21.763 14.785 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.146 24.097 13.765 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.111 23.487 15.113 1.00 0.00 H new ATOM 1457 N ARG A 95 -6.270 23.157 6.860 1.00 0.00 N ATOM 1458 CA ARG A 95 -6.254 24.489 6.268 1.00 0.00 C ATOM 1459 C ARG A 95 -4.823 24.957 6.019 1.00 0.00 C ATOM 1460 O ARG A 95 -3.924 24.685 6.815 1.00 0.00 O ATOM 1461 CB ARG A 95 -6.975 25.484 7.180 1.00 0.00 C ATOM 1462 CG ARG A 95 -6.718 25.250 8.660 1.00 0.00 C ATOM 1463 CD ARG A 95 -7.912 25.667 9.505 1.00 0.00 C ATOM 1464 NE ARG A 95 -7.864 27.083 9.859 1.00 0.00 N ATOM 1465 CZ ARG A 95 -8.601 27.624 10.823 1.00 0.00 C ATOM 1466 NH1 ARG A 95 -9.437 26.872 11.526 1.00 0.00 N ATOM 1467 NH2 ARG A 95 -8.502 28.921 11.086 1.00 0.00 N ATOM 0 H ARG A 95 -5.453 22.939 7.430 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.774 24.440 5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.661 26.495 6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.047 25.425 6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.501 24.196 8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.837 25.811 8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.832 25.461 8.959 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.940 25.067 10.414 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.230 27.689 9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.516 25.875 11.327 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.001 27.291 12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.860 29.503 10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.068 29.336 11.826 1.00 0.00 H new ATOM 1481 N ASP A 96 -4.621 25.659 4.911 1.00 0.00 N ATOM 1482 CA ASP A 96 -3.299 26.165 4.557 1.00 0.00 C ATOM 1483 C ASP A 96 -3.326 27.680 4.384 1.00 0.00 C ATOM 1484 O ASP A 96 -4.336 28.251 3.970 1.00 0.00 O ATOM 1485 CB ASP A 96 -2.803 25.501 3.271 1.00 0.00 C ATOM 1486 CG ASP A 96 -3.818 25.583 2.148 1.00 0.00 C ATOM 1487 OD1 ASP A 96 -4.722 24.722 2.100 1.00 0.00 O ATOM 1488 OD2 ASP A 96 -3.710 26.510 1.318 1.00 0.00 O ATOM 0 H ASP A 96 -5.355 25.891 4.242 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.614 25.922 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.875 25.978 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.571 24.455 3.472 1.00 0.00 H new ATOM 1493 N LEU A 97 -2.210 28.327 4.703 1.00 0.00 N ATOM 1494 CA LEU A 97 -2.105 29.777 4.584 1.00 0.00 C ATOM 1495 C LEU A 97 -0.790 30.175 3.923 1.00 0.00 C ATOM 1496 O LEU A 97 0.243 29.543 4.142 1.00 0.00 O ATOM 1497 CB LEU A 97 -2.215 30.431 5.963 1.00 0.00 C ATOM 1498 CG LEU A 97 -0.922 30.500 6.777 1.00 0.00 C ATOM 1499 CD1 LEU A 97 -0.052 31.653 6.301 1.00 0.00 C ATOM 1500 CD2 LEU A 97 -1.234 30.642 8.260 1.00 0.00 C ATOM 0 H LEU A 97 -1.365 27.870 5.046 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.925 30.126 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.594 31.445 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.958 29.885 6.544 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.371 29.571 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.863 31.686 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.199 31.509 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.594 32.591 6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.303 30.690 8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.806 31.555 8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.817 29.783 8.593 1.00 0.00 H new ATOM 1512 N SER A 98 -0.835 31.229 3.114 1.00 0.00 N ATOM 1513 CA SER A 98 0.353 31.711 2.420 1.00 0.00 C ATOM 1514 C SER A 98 0.965 32.901 3.153 1.00 0.00 C ATOM 1515 O SER A 98 0.391 33.988 3.184 1.00 0.00 O ATOM 1516 CB SER A 98 0.004 32.107 0.983 1.00 0.00 C ATOM 1517 OG SER A 98 1.156 32.097 0.158 1.00 0.00 O ATOM 0 H SER A 98 -1.681 31.765 2.923 1.00 0.00 H new ATOM 0 HA SER A 98 1.085 30.904 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.740 31.418 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.445 33.100 0.975 1.00 0.00 H new ATOM 0 HG SER A 98 0.907 32.352 -0.755 1.00 0.00 H new ATOM 1523 N GLY A 99 2.138 32.685 3.742 1.00 0.00 N ATOM 1524 CA GLY A 99 2.810 33.747 4.467 1.00 0.00 C ATOM 1525 C GLY A 99 3.487 34.741 3.544 1.00 0.00 C ATOM 1526 O GLY A 99 3.492 34.583 2.323 1.00 0.00 O ATOM 0 H GLY A 99 2.634 31.794 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.086 34.271 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.553 33.312 5.136 1.00 0.00 H new ATOM 1530 N PRO A 100 4.073 35.795 4.131 1.00 0.00 N ATOM 1531 CA PRO A 100 4.766 36.840 3.372 1.00 0.00 C ATOM 1532 C PRO A 100 6.147 36.397 2.903 1.00 0.00 C ATOM 1533 O PRO A 100 6.519 35.232 3.048 1.00 0.00 O ATOM 1534 CB PRO A 100 4.885 37.989 4.376 1.00 0.00 C ATOM 1535 CG PRO A 100 4.904 37.326 5.710 1.00 0.00 C ATOM 1536 CD PRO A 100 4.106 36.047 5.582 1.00 0.00 C ATOM 0 HA PRO A 100 4.229 37.106 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.793 38.568 4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 100 4.046 38.679 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.927 37.112 6.020 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.470 37.976 6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.579 35.225 6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.102 36.160 5.991 1.00 0.00 H new ATOM 1544 N SER A 101 6.905 37.334 2.342 1.00 0.00 N ATOM 1545 CA SER A 101 8.246 37.038 1.849 1.00 0.00 C ATOM 1546 C SER A 101 9.098 38.303 1.802 1.00 0.00 C ATOM 1547 O SER A 101 8.582 39.416 1.892 1.00 0.00 O ATOM 1548 CB SER A 101 8.173 36.407 0.457 1.00 0.00 C ATOM 1549 OG SER A 101 7.857 37.377 -0.527 1.00 0.00 O ATOM 0 H SER A 101 6.614 38.304 2.217 1.00 0.00 H new ATOM 0 HA SER A 101 8.712 36.332 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.127 35.938 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.420 35.619 0.451 1.00 0.00 H new ATOM 0 HG SER A 101 7.818 36.949 -1.408 1.00 0.00 H new ATOM 1555 N SER A 102 10.407 38.121 1.660 1.00 0.00 N ATOM 1556 CA SER A 102 11.333 39.246 1.605 1.00 0.00 C ATOM 1557 C SER A 102 12.295 39.101 0.430 1.00 0.00 C ATOM 1558 O SER A 102 12.284 38.093 -0.275 1.00 0.00 O ATOM 1559 CB SER A 102 12.120 39.351 2.913 1.00 0.00 C ATOM 1560 OG SER A 102 12.937 38.210 3.109 1.00 0.00 O ATOM 0 H SER A 102 10.850 37.206 1.581 1.00 0.00 H new ATOM 0 HA SER A 102 10.751 40.157 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.740 40.248 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.429 39.456 3.750 1.00 0.00 H new ATOM 0 HG SER A 102 13.431 38.302 3.950 1.00 0.00 H new ATOM 1566 N GLY A 103 13.128 40.117 0.225 1.00 0.00 N ATOM 1567 CA GLY A 103 14.085 40.084 -0.865 1.00 0.00 C ATOM 1568 C GLY A 103 14.228 41.428 -1.552 1.00 0.00 C ATOM 1569 O GLY A 103 15.309 41.780 -2.024 1.00 0.00 O ATOM 0 H GLY A 103 13.157 40.963 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 103 15.056 39.770 -0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.773 39.337 -1.595 1.00 0.00 H new TER 1573 GLY A 103